smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cccs1 627405 NUFKKDZOYDMNJV-YZIPPPLESA-N 440.502 2.198 0 40 IEAB COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)cc1OC 915118 XFIDXAICANIFSG-RVKKMQEKSA-N 425.363 2.203 0 40 IEAB CCOC(=O)CSC1=Nc2ccccc2C2=N[C@@H](CC(=O)NCc3ccco3)C(=O)N12 2967858 SHOBZTAHZZVPAG-INIZCTEOSA-N 440.481 2.241 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1 3533247 WPCOTLFYJAJYTL-UHFFFAOYSA-N 432.285 2.434 0 40 IEAB O=C(C1CC1)N1CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)CC1 8778231 UYXFZIJVLQZKSI-UHFFFAOYSA-N 427.814 2.358 0 40 IEAB O=C(CSc1nnnn1Cc1cccs1)c1ccc(CC(=O)N2CCOCC2)s1 9498009 OTTYWLGKIWFHNK-UHFFFAOYSA-N 449.583 2.221 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CCCn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 9529818 YBRYSLKQSJPYPM-UHFFFAOYSA-N 434.496 2.021 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)C(C)(C)C 9539452 FLMFPXYNDWCCDK-CQSZACIVSA-N 445.559 2.016 0 40 IEAB CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cc(C)ccc2C)CC1 9714279 UJLNNVLHFQHVCL-UHFFFAOYSA-N 438.576 2.401 0 40 IEAB COc1ccc(NC(SCC(=O)N2CCCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9973941 XZKOAJAXRPCVIQ-UHFFFAOYSA-N 446.529 2.115 0 40 IEAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1Cl 11978249 ZWMQHOUDJQRTMP-UHFFFAOYSA-N 430.891 2.216 0 40 IEAB CSc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12770881 DDTHLONTMIELGD-LJQANCHMSA-N 427.526 2.331 0 40 IEAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12785736 ORLWGLSSOOAGPZ-BREAQWACSA-N 444.491 2.396 0 40 IEAB CSCc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)NCCO)c3)nn12 13554523 RLPUFHSILZQSKZ-UHFFFAOYSA-N 443.554 2.387 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1cccc(C(=O)OC)c1)c1ccc2c(c1)OCCO2 13596205 DGSDIEWITWLPFY-UHFFFAOYSA-N 434.470 2.039 0 40 IEAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCCC3=O)c2)CC1 14117218 YPJKJVNDFYCNRG-UHFFFAOYSA-N 442.541 2.002 0 40 IEAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 14136516 LEBHGRADMVMWME-GOSISDBHSA-N 428.485 2.471 0 40 IEAB Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2c(C)nn(C)c2n1 14184178 KDJZLPSGVAJRKY-UHFFFAOYSA-N 445.520 2.261 0 40 IEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 14268165 GLZXIPALXWUNIT-UHFFFAOYSA-N 446.393 2.168 0 40 IEAB COc1cc(/C=C2\SC(=N)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc(OC)c1O 15053757 JPMFXIGFHIYUKC-VHEPSXJQSA-N 435.483 2.112 0 40 IEAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc2c1CCC(=O)N2CCC(C)C 19741935 HUCHBOBYGDMBIA-QGZVFWFLSA-N 446.577 2.370 0 40 IEAB CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC1CCCC1 20902978 BTYVMDNJQJWIDM-OAHLLOKOSA-N 431.352 2.041 0 40 IEAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)o1 20955654 SRJAFGFSMKGVOS-QGZVFWFLSA-N 443.529 2.005 0 40 IEAB COc1ccc(OCCN2CCN([C@H](C(=O)N3CCOCC3)c3ccccc3)CC2)cc1 22787506 WHNJTDQPNCCRBQ-DEOSSOPVSA-N 439.556 2.292 0 40 IEAB COc1ccc(OC)c(CN2CCN(C(=O)Cn3nc(C)c4ccccc4c3=O)CC2)c1 29984872 LJUWBDNUSPLINX-UHFFFAOYSA-N 436.512 2.067 0 40 IEAB CCOC(=O)c1c[nH]nc1S(=O)(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 32895728 LYDGKAADCNXSIZ-UHFFFAOYSA-N 426.926 2.183 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(Cn3ncc4c(C)n(C)c(C)c4c3=O)CC2)cc1 57354973 UEGFUSYFGMQTJJ-UHFFFAOYSA-N 443.573 2.014 0 40 IEAB Cc1cc(=O)c(C(=O)NCC(=O)Nc2cccnc2)nn1-c1cccc(C(F)(F)F)c1 58265723 CPOBWYUGIZHPPJ-UHFFFAOYSA-N 431.374 2.323 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 72327072 KHNQLMYBHBBIAM-RSZAZKGPSA-N 426.517 2.275 0 40 IEAB COc1cccc(CN2C(=O)Cc3c(C)nc(C4CCN(C(=O)CN(C)C)CC4)nc32)c1 72371963 UZHQOSDAIKQCFJ-UHFFFAOYSA-N 437.544 2.151 0 40 IEAB COCCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)s1 80341323 SUQAZPNBLZKZGO-LLVKDONJSA-N 438.531 2.285 0 40 IEAB CC(C)=CC(=O)NCc1ccc(C(=O)N2CCC(N(C)CC(=O)NC(C)C)CC2)cc1 89885228 VZSIVMYMMDZNAH-UHFFFAOYSA-N 428.577 2.330 0 40 IEAB O=c1cc(CO)oc(C(c2ccc(Cl)cc2Cl)c2oc(CO)cc(=O)c2O)c1O 96114407 IQIWBBWSHBSQFZ-UHFFFAOYSA-N 441.219 2.476 0 40 IEAB biogenic O=C(CN1N=N[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]21)NC12CC3CC(CC(C3)C1)C2 102982095 RSKHFIQGQRMHLL-DWHHIFGZSA-N 425.464 2.204 0 40 IEAB CCOC(=O)CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2C(C)(C)[C@H]31 107440618 MFASYSIHSLHQSR-RJWUENCLSA-N 436.555 2.009 0 40 IEAB COc1cccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)c1 225155492 NQSJJIPHJWPQLZ-UHFFFAOYSA-N 448.526 2.465 0 40 IEAB Cc1cc(C(F)F)n2nc(C(=O)N(C)C[C@@]3(O)CCCN(c4ccc(F)cn4)C3)nc2n1 257253498 JZECHNWILIAVRM-FQEVSTJZSA-N 449.437 2.008 0 40 IEAB COC(=O)c1cc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc(C(=O)OC)c1 408629583 DUZHAZHNVJILHW-CQSZACIVSA-N 448.497 2.361 0 40 IEAB C[C@]1(NC(=S)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCS(=O)(=O)C1 575424682 VNNBUSWKGOKTOP-KRWDZBQOSA-N 425.557 2.445 0 40 IEAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(-c3cnn(C)c3)s2)c1 1889292228 DWIYZWHTBGGHLU-UHFFFAOYSA-N 435.527 2.465 0 40 IEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 8705677 SYDGQILIZDTECC-ZACQAIPSSA-N 427.501 2.099 0 40 IEAB Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3CCCc2ccccc2)n(C)c1=O 9060514 ANESSKVBFRFNEM-UHFFFAOYSA-N 428.496 2.291 0 40 IEAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 9218820 QXPVXXYUSFLFRN-UHFFFAOYSA-N 440.525 2.482 0 40 IEAB CC(=O)N1CCN(c2ncc(-c3ccnc(N4CCOCC4)n3)c(-c3ccoc3C)n2)CC1 12667816 IVCKAAAKMOBEHN-UHFFFAOYSA-N 449.515 2.007 0 40 IEAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 12861095 LJLBJZRIQUDELQ-SBUREZEXSA-N 426.469 2.282 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc3c(c2)NC(=O)CS3)c(=O)[nH]c1=O 13002579 GHLDTAXTLAAIAH-UHFFFAOYSA-N 445.545 2.266 0 40 IEAB O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 13020946 CVKUPZZDLUKLLG-UHFFFAOYSA-N 435.424 2.118 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccccn4)nn3)CC2)cc1 13529123 SUSGYQJHDRKAGU-UHFFFAOYSA-N 438.513 2.008 0 40 IEAB CCN1CCC[C@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccc(OC)cc2)CC1 13732392 NSJGEXWTVXFQHP-ACBHZAAOSA-N 437.606 2.380 0 40 IEAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(O)c3)n2C)cc1 13956067 YBZMMHVHIRDHBM-UHFFFAOYSA-N 427.486 2.190 0 40 IEAB CC(C)Cn1c(N)c(C(=O)CN[C@H](c2ccccc2)c2cccs2)c(=O)n(C)c1=O 14237907 WALSEANRUVWPFV-LJQANCHMSA-N 426.542 2.409 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc3nnn(OCC(=O)NC4CCCCCC4)c3c2)C1 14735370 NCFRWYZQRMECLX-INIZCTEOSA-N 449.577 2.120 0 40 IEAB O=C(c1ccncc1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699335 SBJSILPBZIUZHO-OAQYLSRUSA-N 447.539 2.273 0 40 IEAB CC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 21682315 BPKMFQJXBGLRHP-UHFFFAOYSA-N 445.419 2.252 0 40 IEAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 22526311 ANEQXHLBJQLWPK-UHFFFAOYSA-N 443.525 2.228 0 40 IEAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23135227 CJUWTRGHAUJFKD-UHFFFAOYSA-N 443.414 2.019 0 40 IEAB COc1ncccc1CNC(=O)c1cc(C(C)C)nc2c1c(=O)[nH]c(=O)n2CC(C)C 30303914 TWZUCIJYVHALAZ-UHFFFAOYSA-N 425.489 2.198 0 40 IEAB Cc1ccn2c(=O)cc(COC(=O)c3ccc(S(=O)(=O)NC(C)(C)C)cc3)nc2c1 32747344 FWAYRKOEIIXWRZ-UHFFFAOYSA-N 429.498 2.437 0 40 IEAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70641127 ASDJSPIOWGOOJR-UHFFFAOYSA-N 439.328 2.480 0 40 IEAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1cccc(-c2n[nH]c(C)n2)c1 72293174 GTUPSMXQJDJPOP-UHFFFAOYSA-N 437.456 2.009 0 40 IEAB O=C(CCc1nc(-c2cccc(F)c2)no1)N1CC(=O)N(CCc2ccccc2)C(=O)C1 72332137 WTSMNTJFMNNKSS-UHFFFAOYSA-N 436.443 2.248 0 40 IEAB O=C(Cn1nnc2ccccc2c1=O)NCCn1ccc2cc(Br)ccc21 72401177 VLBNATHBAHKIOH-UHFFFAOYSA-N 426.274 2.325 0 40 IEAB O=C(CCSc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 89847846 ZRUVXGPWFFYRSK-UHFFFAOYSA-N 448.566 2.473 0 40 IEAB COC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]32)cc1 101170649 NDWPKLAUBYQPOC-RBUKOAKNSA-N 435.440 2.022 0 40 IEAB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 102127787 MMLKUSKVAZXDFK-BETUJISGSA-N 438.383 2.055 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222600313 GTLDDQAIASDARX-INIZCTEOSA-N 435.521 2.063 0 40 IEAB CCOC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC1 223021026 CTVHIQFWDMOHBF-UHFFFAOYSA-N 438.527 2.454 0 40 IEAB CCSc1nnc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)s1 224971010 HNDJKNJYPTWPAF-UHFFFAOYSA-N 432.549 2.072 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225223143 OIWXKENJTDAXNE-SFHVURJKSA-N 431.558 2.233 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225420989 IVQWZDLIVXYSBG-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 245230056 KVXGJFXNCYBZOS-DZNIXNCWSA-N 449.551 2.065 0 40 IEAB Cn1c(CO)nc2cc(NC(=O)c3ccc([C@@H]4NC(=O)N[C@H]5OCCC[C@H]54)cc3)ccc21 257282300 OTFOFMJYZCMKMT-BUKVSMQUSA-N 435.484 2.425 0 40 IEAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OCC 408700719 KVHMOQPXUSJLDA-UHFFFAOYSA-N 447.557 2.355 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC(=O)Nc3cc(F)ccc31)CCC2 523143569 IYLJIRRKEYZNDO-KRWDZBQOSA-N 431.489 2.481 0 40 IEAB CN(C1CN(c2ccc3nnc(C4CCC4)n3n2)C1)S(=O)(=O)c1cc(F)cc(F)c1 1565523825 XUENMDMYJCRVTK-UHFFFAOYSA-N 434.472 2.179 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 3309197 HSWSMAVSBJXQMM-UHFFFAOYSA-N 438.676 2.485 0 40 IEAB COCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc2c1=O 3401163 WIXVMOCTROWXCS-UHFFFAOYSA-N 438.553 2.484 0 40 IEAB COc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 8708321 UJKFKKMYBWOZEL-UHFFFAOYSA-N 443.463 2.403 0 40 IEAB COc1cccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)c1 8778496 XEILPSRJBCHDLI-UHFFFAOYSA-N 445.479 2.330 0 40 IEAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(OC)cc1OC 8943416 WQRMYYJOANRTSF-UHFFFAOYSA-N 446.533 2.054 0 40 IEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCc2nc(-c3ccccc3)no2)cc1 9129551 LFHDQXRXMKIEKC-KRWDZBQOSA-N 440.481 2.041 0 40 IEAB O=C(OCN1C(=O)c2ccccc2C1=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9254635 DYFSCBDWWGHZDZ-QGZVFWFLSA-N 448.884 2.290 0 40 IEAB COCCCNC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2)c1=O)CCCC3 9435718 UGYBEWRLCCWGJI-UHFFFAOYSA-N 441.553 2.305 0 40 IEAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCCCc1ccccc1 9446891 HVFGIZMXZZJINS-WMZOPIPTSA-N 437.496 2.022 0 40 IEAB CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 9714382 QSIACEDMUWPWQC-UHFFFAOYSA-N 444.967 2.437 0 40 IEAB CCn1nc(C(=O)N2CCC[C@H](c3cc4nc(C)cc(O)n4n3)C2)c2ccccc2c1=O 12134538 GTKMOGVFHCFTRJ-HNNXBMFYSA-N 432.484 2.493 0 40 IEAB COc1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3CCCN(C(C)=O)CC3)C2)cc1 12481058 GDNQOKMTRIUKJJ-SFTDATJTSA-N 445.560 2.193 0 40 IEAB biogenic,in-vitro COc1ccc([C@]2(C)NC(=O)N(NC(=O)CSc3nc4ccccc4[nH]3)C2=O)cc1 12525384 LOHONKXNESRKEQ-FQEVSTJZSA-N 425.470 2.162 0 40 IEAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12780688 GIAKAYYVCYEFLK-FQEVSTJZSA-N 435.496 2.291 0 40 IEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 12899659 DLMUQCQEGVYZAC-UHFFFAOYSA-N 427.482 2.287 0 40 IEAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 12975941 JBQNVOLAAJNKTI-FQEVSTJZSA-N 441.571 2.244 0 40 IEAB Cn1c(SCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 13117615 APGNBFFDNSPCHN-HNNXBMFYSA-N 432.527 2.388 0 40 IEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@H](C)c1ccccc1 13571638 BLWGJMPZMNJJEZ-SOLBZPMBSA-N 437.496 2.193 0 40 IEAB Cc1c(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)oc2ccc(Br)cc12 14066465 PNTZLDGVQSOFLX-AWEZNQCLSA-N 441.347 2.449 0 40 IEAB COC(=O)C1CCN(C(=O)CN2C[C@@H](c3csnn3)[C@H](c3ccc(C)cc3)C2)CC1 19211962 JQFBGDPVKAJLLF-RBUKOAKNSA-N 428.558 2.441 0 40 IEAB C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 19455796 YBGFMKJKBNBSMC-FUMQJTLXSA-N 449.555 2.472 0 40 IEAB COc1ccccc1N1CCN(C[C@@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 19571193 LPXUCWHQUGHNFX-JOCHJYFZSA-N 445.585 2.263 0 40 IEAB CC(=O)N[C@@H]1CCO[C@H](c2ccccc2NC(=O)c2ccnc(N3CCN(C)CC3)c2)C1 19712283 KWMGIKIHWBRSFN-KNQAVFIVSA-N 437.544 2.442 0 40 IEAB Cc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)ncc1C(=O)N1CCOCC1 19751976 HXXVLGVPXWRVJT-UHFFFAOYSA-N 442.491 2.182 0 40 IEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NC1CCN(Cc2ccccc2)CC1 29563023 QWXNRGYROKEACZ-UHFFFAOYSA-N 427.526 2.002 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1ccc2c(c1)OCO2 30849488 XLXGGHBBTUBIPI-UHFFFAOYSA-N 442.497 2.074 0 40 IEAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cccc4ccccc34)CC2)C[C@H](C)O1 31663358 GODXZGUKCPKYCQ-IRXDYDNUSA-N 432.546 2.343 0 40 IEAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1C 35312005 OTDDYEQDZTZXDE-KRWDZBQOSA-N 440.529 2.319 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 56907925 OIXSUSACRMNBHK-SFHVURJKSA-N 441.557 2.303 0 40 IEAB CN(CC(=O)NC1CCN(CC2(c3ccccc3)CCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 72393421 UBWMVWFJTFLWOQ-JOCHJYFZSA-N 447.645 2.198 0 40 IEAB Cc1[nH]cnc1CNC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 78976445 WDGLYIJKRZNRQZ-QGZVFWFLSA-N 440.529 2.071 0 40 IEAB O=C(COc1coc(CN2CCCCCC2)cc1=O)N1CCN(c2ccccn2)CC1 79501258 PYXGJVZBMKIUNK-UHFFFAOYSA-N 426.517 2.138 0 40 IEAB COc1cccc(CCN2C[C@H]3CCN(C(=O)c4cc(C)on4)CC[C@H]3S2(=O)=O)c1 96145503 AGMJQCSCZRRYHP-YLJYHZDGSA-N 433.530 2.101 0 40 IEAB CC1=C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C[C@@H]1n1[nH]c(=O)n(Cc2ccccc2)c1=O 100934327 XYTLCKXGZKYPTP-ZCNNSNEGSA-N 430.464 2.083 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N(C)Cc2nc(-c3ccccc3)no2)Oc2ccccc21 218796195 DUNQHTCWLSOYBU-SFHVURJKSA-N 442.497 2.312 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223031180 KYPOLSBHSRCCDQ-LJQANCHMSA-N 449.548 2.454 0 40 IEAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1N1C(=O)CCC1=O 223836741 AMBKSLUMHGKQCE-UHFFFAOYSA-N 440.481 2.013 0 40 IEAB COc1cc(CN(C)C(=O)c2sc(N(C)S(C)(=O)=O)nc2C)cc(OC)c1OC 225879137 JAVXLSRSAXVVNY-UHFFFAOYSA-N 443.547 2.145 0 40 IEAB CCN(CC(=O)N(C)Cc1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccccc1 226053585 CQIOVZAWTCGZNN-UHFFFAOYSA-N 436.530 2.382 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3CCC[C@H](C)[C@H]3C)CC1)O2 247967116 SRDVQFBPUYEVML-OBWXTZQISA-N 443.544 2.216 0 40 IEAB COc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)C(F)(F)F)cc1 252445496 PQRKJNKIHJNOFV-FRQCXROJSA-N 438.358 2.371 0 40 IEAB Cc1c(C)n(C)c2ccc(NC(=O)[C@H]3CN(C(=O)CCc4cc(O)no4)CCN3C)cc12 257212057 CBSRFPJHAVLGEM-HXUWFJFHSA-N 439.516 2.203 0 40 IEAB CCn1ccc(NC(=O)[C@@H]2CN(C(=O)CCc3ncc(-c4ccccc4)o3)CCN2C)n1 257293970 QRXAKCWXQDPECB-SFHVURJKSA-N 436.516 2.272 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2cc(OC)ccc2OC)Oc2ccccc21 260772570 ZGPXNOHIRGMSEM-VBKZILBWSA-N 434.514 2.498 0 40 IEAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C1=O 408549639 WBHLFNQPQAXYTL-MHWRWJLKSA-N 443.843 2.423 0 40 IEAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 408661699 GZSGKUMNLCBOLW-UHFFFAOYSA-N 442.424 2.160 0 40 IEAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CCn2c3nn(Cc3cccnc3)c(=O)c2=O)c1 585106522 IXVRPERIDZLSRF-UHFFFAOYSA-N 445.523 2.043 0 40 IEAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cccc(C)c5)C[C@H]4C3)ncnc21 1888930625 OOMMBWISMXLXPJ-HDICACEKSA-N 426.546 2.053 0 40 IEAB O=C(OCn1nnc2ccccc2c1=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 2661732 DYHJHQCEZRXYCL-UHFFFAOYSA-N 442.497 2.171 0 40 IEAB Cc1nc2cc(C(=O)OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)ccc2n1-c1ccccc1 5981458 BCHKDRMHQQLGAP-GOSISDBHSA-N 441.509 2.136 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 8724264 LNGSGWJSXCPGGZ-PMACEKPBSA-N 447.557 2.395 0 40 IEAB Cc1cc(C)n2nc(SCC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)nc2n1 9223813 IQLFALADUNLJJY-UHFFFAOYSA-N 431.543 2.428 0 40 IEAB CCn1c(COC(=O)c2ccc3c(c2)OCCO3)nc2cc(S(=O)(=O)N(C)C)ccc21 9224108 WTJUPXZEHNQBBA-UHFFFAOYSA-N 445.497 2.435 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 10119302 KKGYIHQKPJQBTR-UHFFFAOYSA-N 436.555 2.157 0 40 IEAB CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CCN(C(=O)c2cscn2)CC1 12133070 MFWHODGEQDBROI-UHFFFAOYSA-N 429.527 2.418 0 40 IEAB C[C@@H](C(=O)N1CCC(c2ncccc2S(C)(=O)=O)CC1)n1ncc2ccccc2c1=O 12144064 JYNKWASBRYUQKT-HNNXBMFYSA-N 440.525 2.162 0 40 IEAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 13502735 WWFIIJRQVVVBDC-SFHVURJKSA-N 435.546 2.280 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 15132809 GVLCLSFOBOFPNQ-HNNXBMFYSA-N 434.514 2.216 0 40 IEAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 17527203 XRXZMISYQUGKOB-SFHVURJKSA-N 428.510 2.496 0 40 IEAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 17821390 JSLUOVFOJJMTGM-IVAOSVALSA-N 431.448 2.301 0 40 IEAB O=C(C1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 19014559 ASRYVMBGPIWJNW-RBUKOAKNSA-N 428.533 2.077 0 40 IEAB COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)CCn4cnnn4)C3)cc2)cc1 19558235 QVVVANNFJPOJLU-XMMPIXPASA-N 448.527 2.076 0 40 IEAB CN(C[C@@H](O)c1ccccc1)C(=O)CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 19585961 OEJWNQLSOYRQPE-JOCHJYFZSA-N 438.572 2.341 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3ccc(F)cc3)CC1)C2=O 19700724 CAHWREVFKYIMHD-UHFFFAOYSA-N 444.551 2.403 0 40 IEAB CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccccc2)nc2c1CCN(C(C)=O)C2 19708446 YMQANYIGPUWNTO-LJQANCHMSA-N 429.546 2.339 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)CN4CCCC4)C3)nc2C)c1 19758263 GGELEBJHTVVBLR-IBGZPJMESA-N 437.544 2.135 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CCO[C@@H](c2cc(C(N)=O)c3ccccc3n2)C1 19761982 ARDBCWXHBGWUBB-LJQANCHMSA-N 445.472 2.244 0 40 IEAB O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19928783 HLSPVVLSZKIGJD-KRWDZBQOSA-N 425.460 2.252 0 40 IEAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 21435675 FNJBQHJXGOLTFW-UHFFFAOYSA-N 446.429 2.053 0 40 IEAB CC(C)C(=O)NCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 22384399 UYZOYZZHDMXAMH-SFHVURJKSA-N 426.542 2.459 0 40 IEAB Cc1ccc(Br)cc1S(=O)(=O)N1CCCN(CC(=O)NC(C)(C)C)CC1 29384376 VWMRPLMCGKDJHB-UHFFFAOYSA-N 446.411 2.369 0 40 IEAB COc1cc2ncnc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2cc1OC 40268690 CVBVRSBNASEGBZ-UHFFFAOYSA-N 432.477 2.297 0 40 IEAB CCn1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c2c(c1=O)CCCC2 46027503 ZRFANKKMHISVMH-UHFFFAOYSA-N 430.574 2.054 0 40 IEAB Cc1cc(C)n2nc(CC(=O)N3CC=C(n4c(C)nc(=O)c5ccccc54)CC3)nc2n1 72348219 MCMQVYKCIRTSBJ-UHFFFAOYSA-N 429.484 2.075 0 40 IEAB CCC(CC)N(CCO)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 95986192 HAHSRPVPVRQZIY-UHFFFAOYSA-N 428.370 2.024 0 40 IEAB COc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)c1 101169606 MWEISQKPEYZLKQ-DLBZAZTESA-N 431.811 2.420 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220177676 OGJDLWSPCHGKIE-JKSUJKDBSA-N 436.530 2.442 0 40 IEAB Cc1cccc(-c2noc(CNC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)n2)c1 222720628 SWAQODZJYXNONV-UHFFFAOYSA-N 432.477 2.262 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 245230174 MTXGZVVJWPJPOQ-LMHDGWJKSA-N 443.588 2.443 0 40 IEAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CN(C(=O)CCN3CCOCC3)CCO2)n1 257202822 ANOPDCSWXGAIIR-OAQYLSRUSA-N 440.548 2.163 0 40 IEAB CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CN(C(C)=O)CC2 257332605 XXZLKNJXWAUOEW-OAHLLOKOSA-N 447.536 2.049 0 40 IEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1 409205392 QDBGULNWTKRCHG-UHFFFAOYSA-N 431.558 2.349 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)N3CC(n4nc(-c5ccncc5)ccc4=O)C3)CC2=O)cc1C 1775977732 LGRVTXYDMOYXEU-IBGZPJMESA-N 443.507 2.359 0 40 IEAB COC(=O)c1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)c1 666994 WSMXVXJPCUOWCC-UHFFFAOYSA-N 434.452 2.369 0 40 IEAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 815456 YLECTGYTRCILSF-UHFFFAOYSA-N 436.555 2.415 0 40 IEAB CCC1(CC)NC(=O)N(CC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)C1=O 3433674 BUGRRQSZUDQNKE-UHFFFAOYSA-N 428.470 2.063 0 40 IEAB CN(C)c1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(C(C)(C)C)n4)CO[C@H]23)cc1 5398488 AEIXAGXNXIOOLN-RAUXBKROSA-N 425.533 2.217 0 40 IEAB biogenic,in-vitro CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 8870924 NMRYRNDXEBHSAS-UHFFFAOYSA-N 437.543 2.022 0 40 IEAB CCOC(=O)C1=C(CSc2nc3sc4c(c3c(=O)n2C)CCC4)NC(=O)N[C@@H]1C 9120500 UHXQAMFVUMQTIC-SECBINFHSA-N 434.543 2.094 0 40 IEAB Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)N1CCCCC1 9439620 NOANUVVKXZTOLN-UHFFFAOYSA-N 426.340 2.438 0 40 IEAB CCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 9569911 WNNWHSJTSXYXNF-UHFFFAOYSA-N 449.548 2.035 0 40 IEAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c2C1 9612485 RDMLTUUGNHEBTA-GJZGRUSLSA-N 430.526 2.162 0 40 IEAB Cn1c(CCC(N)=O)nnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 9875255 VIBNHBMXWLIDSR-UHFFFAOYSA-N 431.518 2.395 0 40 IEAB Cc1cccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccc(F)cc2)CS(=O)(=O)C3)c1 10250543 YPUOTBFNGAEAMO-UHFFFAOYSA-N 442.472 2.003 0 40 IEAB O=C(NCc1ccc(Cl)cc1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031070 FDAPNJRJXLJMPZ-OAHLLOKOSA-N 445.921 2.370 0 40 IEAB O=C(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 12775116 HHKXXFNWYJEYFO-UHFFFAOYSA-N 438.452 2.273 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)NC(=O)NC1 12922635 NVWRGYNIHQNGGH-UHFFFAOYSA-N 427.413 2.127 0 40 IEAB CCCCN(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O 14623716 ITCMZQQRIIDNBU-INIZCTEOSA-N 428.489 2.354 0 40 IEAB O=S1(=O)CC[C@H](Sc2nc3ccccc3nc2S[C@H]2CCS(=O)(=O)C2)C1 16545187 ZQOHGMGSXUWERH-RYUDHWBXSA-N 430.598 2.188 0 40 IEAB CCN(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(C)cc1 16678359 MROSBZRBSHOZRY-UHFFFAOYSA-N 431.558 2.363 0 40 IEAB COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OCC(N)=O 16740776 WLKYYCFDGZNOHV-HXUWFJFHSA-N 434.456 2.078 0 40 IEAB COc1ccc(N(C[C@H](O)CNCCCC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 17043768 ZGGILIFPFVIWPE-GOSISDBHSA-N 436.530 2.014 0 40 IEAB COCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc(C)s1)CC2 19217009 FYQRNFWCSZXVDY-MRXNPFEDSA-N 430.530 2.038 0 40 IEAB Cc1cc(C(=O)N2CCO[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)nc(N(C)C)n1 19693547 UQFSYKSRTSTLCF-NRFANRHFSA-N 446.511 2.226 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)C1 19696129 WZXWMAVJDYIISJ-IBGZPJMESA-N 441.576 2.487 0 40 IEAB COCCc1ncc(CN2CCO[C@]3(CC=CCN(CCc4ccccc4)C3=O)C2)cn1 19704400 WSSNYBFTRXOHHK-RUZDIDTESA-N 436.556 2.268 0 40 IEAB Cc1ccc(N(Cc2nnc(SCC(=O)N3CCCCC3)n2C)S(C)(=O)=O)cc1 19925853 JDNSRSYKAVQAOS-UHFFFAOYSA-N 437.591 2.194 0 40 IEAB COc1ccc(N2C[C@H](NC(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1OC 22664650 OSFDSKYNKZOXAS-LJQANCHMSA-N 438.528 2.337 0 40 IEAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 23560763 YYNJYGPCPLDAQS-UNMCSNQZSA-N 425.504 2.364 0 40 IEAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)c1ccc2c(c1)OCCO2)CC3 28059376 QAHRVPKFFKYTMT-UHFFFAOYSA-N 428.466 2.473 0 40 IEAB Cc1ccccc1C(=O)N[C@H](C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C(C)C 28324191 XCDYDWFRGLBOSP-QHCPKHFHSA-N 442.604 2.296 0 40 IEAB CCOc1ncccc1CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 32787260 LIBJDXIFWBYMCN-UHFFFAOYSA-N 449.437 2.470 0 40 IEAB NS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(I)cc3)cc21 40150916 FABXTWZRGIZEAI-UHFFFAOYSA-N 443.266 2.110 0 40 IEAB C[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1)n1cncn1 48273565 GYOPXOAYWOMFID-DLBZAZTESA-N 439.520 2.344 0 40 IEAB Cc1ccccc1Cn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952613 OZISDXLGRJJIOK-UHFFFAOYSA-N 444.539 2.102 0 40 IEAB CCC[C@@H](c1nnnn1CCOC)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 57674958 CKSANASIVDEPPX-FQEVSTJZSA-N 428.537 2.195 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 58101434 BLDYYYNMHPYECF-HSZRJFAPSA-N 448.571 2.068 0 40 IEAB CCOC(Cn1cc(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)nn1)OCC 58175224 MTNLUHJUNLQAGF-UHFFFAOYSA-N 430.505 2.421 0 40 IEAB Cc1cc(NC(=O)[C@H](C)SCC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)no1 58311466 XEFLXCGJRKPZTI-AWEZNQCLSA-N 446.529 2.170 0 40 IEAB COc1ccc(S(=O)(=O)N2CC(NC(=O)COc3ccc(C(F)(F)F)cc3)C2)cc1 95444641 FBVSSDYUBLJDEI-UHFFFAOYSA-N 444.431 2.282 0 40 IEAB COc1cccc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)c1 96104153 MRFVNPCUNCOEQD-HTZLVSCSSA-N 442.537 2.421 0 40 IEAB COc1cccc(NC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)NC(C)C)CC3)O2)c1 96144639 UMLQUMQHHWSEOQ-GOSISDBHSA-N 427.505 2.338 0 40 IEAB COc1ccc(C(=O)N2CCC(N[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)CC2)cc1 100213547 OQQPBVTXSDJVLN-OAQYLSRUSA-N 437.496 2.230 0 40 IEAB Cn1c(=O)oc2ccc(S(=O)(=O)N[C@@H]3CCN(c4ccc(C(F)(F)F)cn4)C3)cc21 206792086 YHKITVNWGACYPA-GFCCVEGCSA-N 442.419 2.103 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222460891 ZLYNKLWFPVISBG-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB CN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 222750310 KSVVZEUGWLCSLO-OAHLLOKOSA-N 448.526 2.374 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 223518993 RZAWSMAXBWEKFP-KRWDZBQOSA-N 447.557 2.015 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCCOc2ccc(F)cc2)Oc2ccc(Cl)cc21 224479907 JEWJRLYUXUBRJZ-KRWDZBQOSA-N 428.869 2.201 0 40 IEAB Cc1cccc(C)c1N(CC(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O 224715632 LQRFDKJXBCEWGK-UHFFFAOYSA-N 445.585 2.218 0 40 IEAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 225964239 IJRVHEQBBXDPIH-UHFFFAOYSA-N 425.532 2.259 0 40 IEAB CC(C)n1cnc2cc(C(=O)N3CC[C@H](n4cnc5c(N)ncnc54)[C@@](C)(O)C3)ccc21 257236988 HESOEWDEGXUULE-JTSKRJEESA-N 434.504 2.177 0 40 IEAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 257281685 OQMKAZZBTTVZEE-DEOSSOPVSA-N 447.583 2.333 0 40 IEAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3nccs3)C[C@H]2N1Cc1ccccc1 306137311 QSKYBBBQYFVCFN-IAGOWNOFSA-N 428.539 2.374 0 40 IEAB COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1 409023946 FRONFQRHVUGANR-UHFFFAOYSA-N 449.529 2.247 0 40 IEAB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](Cc1ccc(Cl)cc1)C(=O)O 547551265 NITWULNNOMWVPN-LBPRGKRZSA-N 428.850 2.479 0 40 IEAB CN(C)c1ncc(C(=O)N2CC[C@H]3NC(=O)COc4ccccc4CC=CC[C@H]3C2)cn1 2037818708 QSRKVYJDMXZRRS-AZUAARDMSA-N 435.528 2.071 0 40 IEAB O=C(COn1nnc2ccccc21)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 3371979 VMTCXMHMJSVLPY-UHFFFAOYSA-N 431.408 2.480 0 40 IEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(C(=O)c3ccccc3)CC1)C2=O 3417339 YQLPUTLVAFWGTL-MZNJEOGPSA-N 440.544 2.108 0 40 IEAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)c(OC)c1 4250827 WTDHMVZGHSZALB-UHFFFAOYSA-N 425.489 2.429 0 40 IEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1 8917891 AAMNUUFZBKJWJD-IRXDYDNUSA-N 439.553 2.240 0 40 IEAB biogenic CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccccc1 9191960 QORULABJZBZISM-NHCUHLMSSA-N 436.512 2.224 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)C1 9445341 VDAZXJXJMWVWFO-CQSZACIVSA-N 437.543 2.007 0 40 IEAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9612695 NMBGTBMDTYYSPB-AWEZNQCLSA-N 426.425 2.001 0 40 IEAB O=C(Nc1nc(-c2cccnc2)cs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9616781 BSNVSWGJKXEQJW-UHFFFAOYSA-N 430.511 2.478 0 40 IEAB NC(=O)c1ccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 9631226 PDXKMANEVLMZAF-UHFFFAOYSA-N 428.448 2.220 0 40 IEAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1N1CCN(C(=O)c2ccco2)CC1 9827993 BEQCJACIWHCDOD-UHFFFAOYSA-N 440.431 2.104 0 40 IEAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)Cn4ncc5ccccc5c4=O)C3)cc2n1 12134611 CCIKAUFTSVLLHP-INIZCTEOSA-N 432.484 2.113 0 40 IEAB Cc1nn(CC(=O)N2CCC(n3nnc(-c4ccc(F)cc4)n3)CC2)c(=O)c2ccccc12 12143220 JIQIVQWGZNYFKX-UHFFFAOYSA-N 447.474 2.361 0 40 IEAB Cn1c(SCC(=O)NC[C@H]2CCCO2)ncc(C(=O)Nc2ccc(Cl)cc2)c1=O 12236858 SFLVJCDNCVMGFN-CQSZACIVSA-N 436.921 2.073 0 40 IEAB COCC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 12852288 GPBVXZQEEIXPGZ-UHFFFAOYSA-N 425.894 2.428 0 40 IEAB CN(CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)CC(=O)Nc1ccccc1Cl 13061828 KBSUBEQTPQCXHT-UHFFFAOYSA-N 438.937 2.099 0 40 IEAB O=C(NCc1nnc2n1CCCCC2)c1cccc(S(=O)(=O)NCc2ccccc2)c1 14485262 XMNHOAUQXKCJDS-UHFFFAOYSA-N 439.541 2.413 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 14908962 NMTXSJAAPZXGBE-UHFFFAOYSA-N 431.514 2.052 0 40 IEAB Cc1cc(=O)n2c3c(cc(S(=O)(=O)N4CCO[C@@H](COc5ccccc5)C4)cc13)CC2 15079700 KCROZXUYSWSCHB-LJQANCHMSA-N 440.521 2.335 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21)Nc1ccc(Br)cc1 18153387 FSXUHGWFCJPYNT-JKSUJKDBSA-N 428.246 2.381 0 40 IEAB Cc1ncc(-c2ccccn2)c(CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1 19286979 AUBNPVXMFQOUGD-CYBMUJFWSA-N 439.497 2.387 0 40 IEAB CC(C)S(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@@H]3CC34CCC4)[nH]c2=O)C1 19451088 BXAJVLVYKLQSJU-FUHWJXTLSA-N 448.589 2.110 0 40 IEAB COc1cccc(N2CCN(C[C@@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 19565848 JVQFICZIFGLIRQ-HSZRJFAPSA-N 445.585 2.263 0 40 IEAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(CC(=O)N3CCCC3)CCO2)cc1 19694984 FJPKSEFMKHAOGV-FQEVSTJZSA-N 425.533 2.214 0 40 IEAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)cc2c1 19826078 BWJVXTDLPHQXNC-JOCHJYFZSA-N 429.528 2.208 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2=O)c1 20018239 QNNHSZFZWKBLBB-SFHVURJKSA-N 437.496 2.121 0 40 IEAB COc1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(OC)c1OC 22330820 HZSTXLAQUWNLJA-UHFFFAOYSA-N 442.921 2.448 0 40 IEAB C[C@@H]1C[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C(=O)O1 32736477 ZTYROKYINXOJNR-RISCZKNCSA-N 435.420 2.353 0 40 IEAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)NN3C(=O)NC4(CCCCC4)C3=O)C2)c1 40143663 COVGORTZSHGQKP-QGZVFWFLSA-N 426.517 2.442 0 40 IEAB CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 60168079 RFIOVEQLCCTJFL-UHFFFAOYSA-N 434.418 2.439 0 40 IEAB CCN1CCN([C@H]2CCN(C(=O)Nc3nnc(Cc4cccc(OC)c4)s3)C2)CC1 89977306 VFABUEYXSWTNFN-KRWDZBQOSA-N 430.578 2.381 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 225434825 RCBJOIDGTMXTHS-HNNXBMFYSA-N 425.460 2.365 0 40 IEAB CCOc1ccc(CCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 225562469 WUAGDBLTUFYQGL-UHFFFAOYSA-N 432.542 2.469 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccc(F)cc4c3=O)CC2)c1 225763049 ZOHMUXYGJNNYKP-UHFFFAOYSA-N 445.472 2.057 0 40 IEAB CC(=O)N[C@@]12CN(CC(=O)Nc3ncc(C)s3)CC[C@@H]1[C@@H](c1ccccc1)N(C)C2 257204562 AVEXHTNBIVZKOQ-UZKOGDIHSA-N 427.574 2.274 0 40 IEAB COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(Cc4ccc(C)s4)C2)C3)cc1 306138712 SFDIVIJOYHSAHN-HSZRJFAPSA-N 438.553 2.280 0 40 IEAB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408660343 NUJUHOPNXSMHLY-YDOWWZDFSA-N 447.285 2.046 0 40 IEAB O=C(NCC1CC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)Cc2cccc(F)c2)C1 585106788 QDWIZQSPFAIVIP-HSZRJFAPSA-N 425.508 2.355 0 40 IEAB CCCn1cc(Cl)c(C(=O)NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](CC)O3)n1 585282203 ZOFBPGJZCKZPRB-CYBMUJFWSA-N 426.882 2.175 0 40 IEAB O=C(Nc1cc(F)ccc1F)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@H]2C1 1549160260 CBBLCVISKIEKDB-QGZVFWFLSA-N 434.443 2.404 0 40 IEAB COC[C@@H](C)n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O 2621982 XCACBDAHKGAJHX-CYBMUJFWSA-N 426.498 2.434 0 40 IEAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCC(C)CC3)s2)cc1OC 8588158 BOHYLVZURWHVDI-UHFFFAOYSA-N 426.520 2.228 0 40 IEAB CCCCCC(=O)N[C@@H](NC(=S)N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 8680599 HAAWUEZCVQHVIK-KOLCDFICSA-N 438.830 2.030 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)C(C)(C)C 9539453 FLMFPXYNDWCCDK-AWEZNQCLSA-N 445.559 2.016 0 40 IEAB CNC(=O)[C@@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc2O1 9547501 BKIKBBDBAGGIRN-VGSWGCGISA-N 437.496 2.135 0 40 IEAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)c1 11597144 AHNUJYXQKVLAKX-GOSISDBHSA-N 445.497 2.208 0 40 IEAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)N[C@H]3CCS(=O)(=O)C3)cc12 11859344 WUINHCBHKGWRQF-LBPRGKRZSA-N 434.568 2.187 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)NC3CCCCC3)CC1)CNC2=O 12086674 ARGPZKCHBPEMAE-QHCPKHFHSA-N 429.517 2.018 0 40 IEAB Cc1cccnc1C1(O)CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1 12117338 BTTZQFIDXWFRJT-GOSISDBHSA-N 449.507 2.289 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3c(C)nc4ccccc43)CC2)c1 12543773 FTICICHMJVORKQ-UHFFFAOYSA-N 426.542 2.495 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 12697119 VELMFSOGJNVARG-MOPGFXCFSA-N 445.585 2.310 0 40 IEAB Cc1noc(C)c1CSCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12889302 BXWNHMNWYQZFOZ-UHFFFAOYSA-N 437.566 2.302 0 40 IEAB C[C@H]1Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)cc2NC1=O 13120954 BBOQEHLTPSUFLR-CJNGLKHVSA-N 445.497 2.116 0 40 IEAB O=C(COC(=O)CSCc1ccc(Cl)c(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 13164223 ZKCWONCBZRNUDZ-LLVKDONJSA-N 426.343 2.073 0 40 IEAB O=C(CSc1nnc2n1CCCCC2)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 14141948 JZCWTBSMZCNYOL-MRXNPFEDSA-N 426.608 2.445 0 40 IEAB CC(=O)Nc1ccc(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 14241531 UCSIBSIKSZESOG-UHFFFAOYSA-N 426.498 2.445 0 40 IEAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 19710288 OEKCXXPHWVUGOX-INIZCTEOSA-N 441.507 2.347 0 40 IEAB COc1cc(NCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(OC)cc1Cl 21381718 NWXAQHHVQQSYJU-UHFFFAOYSA-N 441.937 2.336 0 40 IEAB CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)CC1 22390209 JFCUVKCCWVQSHA-UHFFFAOYSA-N 426.535 2.042 0 40 IEAB Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1NS(=O)(=O)c1ccccc1 22934883 DWEXGMSKGDBMGF-UHFFFAOYSA-N 430.574 2.163 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc(C4CC4)cs3)CC2)cc1 23137202 AUQFXPJMYXQEJX-UHFFFAOYSA-N 434.587 2.229 0 40 IEAB COC(=O)C(C)(C)NC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 23176379 WBPFEADGYJQFIN-UHFFFAOYSA-N 430.457 2.403 0 40 IEAB COC(=O)c1ccc2c(=O)n(CC[C@@](O)(c3ccc(C)o3)C(F)(F)F)c(=O)[nH]c2c1 24837573 GRQJJVVPJYOMNB-GOSISDBHSA-N 426.347 2.218 0 40 IEAB CCOC(=O)c1c(C)oc(NC(=O)CSc2nccc(C(F)(F)F)n2)c1C(N)=O 26481415 PNTBMGLFZGWOQT-UHFFFAOYSA-N 432.380 2.403 0 40 IEAB O=C(O)CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5C5(CCCCC5)[C@H]34)[C@@H]2C1=O 32594706 FUPMLKHYFHMFNU-VZAFDTFASA-N 448.566 2.454 0 40 IEAB CCOC(=O)CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 32598158 MFASYSIHSLHQSR-NSOXHHMISA-N 436.555 2.009 0 40 IEAB CCCn1nc(C(=O)N2CCN([C@H](C(=O)OCC)c3ccc(Cl)cc3)CC2)ccc1=O 32850852 QULBTNODPFZBBZ-FQEVSTJZSA-N 446.935 2.369 0 40 IEAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4cc(C)ccc4OC)cnc32)c1 40478164 PEOGFUXBDZYDBX-UHFFFAOYSA-N 434.456 2.001 0 40 IEAB COc1ccc(OC)c([C@@H](c2nnnn2C2CCCCC2)N2CCC(C(N)=O)CC2)c1 57669537 SDKTYSRTVFUKAC-FQEVSTJZSA-N 428.537 2.482 0 40 IEAB O=C(NCCc1nccn1C(F)F)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 58323690 LCOLGUYSSJSGFZ-UHFFFAOYSA-N 448.442 2.316 0 40 IEAB CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)COc4ccc(F)cc4)CC3)cc2n1 72391463 BRRDHFWUSIZJCZ-UHFFFAOYSA-N 425.464 2.308 0 40 IEAB O=C(Cn1cc(-c2nc(-c3cnccn3)no2)ccc1=O)NCCc1ccc(Cl)cc1 77199972 RGIVQESSQQBIJO-UHFFFAOYSA-N 436.859 2.368 0 40 IEAB COC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100943173 YFSJRTTWSAIOHL-ZBFHGGJFSA-N 428.242 2.356 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 225103393 BCROPQVLOWYAQI-UHFFFAOYSA-N 430.486 2.024 0 40 IEAB C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225274813 PAMFBEXFECCRKU-TZMCWYRMSA-N 426.441 2.076 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)COc2ccccc2C)cc1OC 225608016 NJVPYMZFPNJMBA-INIZCTEOSA-N 436.530 2.216 0 40 IEAB CC(=O)NCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCC(C(C)(C)C)CC1 257214229 CLDCHGWWCMTVTB-SQMBMXPBSA-N 449.567 2.085 0 40 IEAB CN(C[C@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)c1ccc(OCCCN)cc1 257340270 ZFHDRMZXVKZHTA-RUZDIDTESA-N 449.555 2.461 0 40 IEAB CCn1cc(CN2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 306140381 URQGBORHBNWFET-ISKFKSNPSA-N 432.528 2.090 0 40 IEAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)C24CC5CC(CC(C5)C2)C4)C3)n1 306143284 XXTYMPJCNSVAPU-RQJZOYDLSA-N 445.585 2.396 0 40 IEAB CN1c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2N(C)S1(=O)=O 390826551 AIWOPHDOTYIVGX-LBPRGKRZSA-N 434.905 2.462 0 40 IEAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C(=O)N1CCOCC1 408600393 ANHILKHOVNLMGB-QGZVFWFLSA-N 430.526 2.060 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc(I)c1 408625807 ZFXRSDVAZVTKLS-WQAPVAGSSA-N 448.260 2.283 0 40 IEAB CSCC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)n1c(O)nc2ccccc2c1=O 524734390 ANHVNSLKAUFNHC-YOEHRIQHSA-N 441.509 2.353 0 40 IEAB CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 585274211 UQWLBXQOIKGVQV-DEOSSOPVSA-N 444.551 2.005 0 40 IEAB CC(C)c1nc(CC(=O)N2CC[C@H]3C[C@@H](CN4CCC5(CCOCC5)C4)O[C@H]3C2)no1 2056226193 MQRKMTTXVAFTFT-FHWLQOOXSA-N 432.565 2.244 0 40 IEAB O=C(Nc1ccc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cn1)C1CC1 2298086958 HJZLRSHRACKCIJ-UHFFFAOYSA-N 432.410 2.213 0 40 IEAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3357294 VCOUMOVMQYNWPA-KRWDZBQOSA-N 428.466 2.328 0 40 IEAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 8880020 OFCXDEVBVUKANP-KSFYIVLOSA-N 440.496 2.347 0 40 IEAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2ccccc2Cl)n1 9038096 FPIGASLFKWHLEG-UHFFFAOYSA-N 428.880 2.125 0 40 IEAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCN(c2ncccn2)CC1 9255663 JEUKXHRTIZZART-UHFFFAOYSA-N 435.557 2.435 0 40 IEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 9536321 ONIAJMAHCFHWIL-MZNJEOGPSA-N 435.480 2.068 0 40 IEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2OC)CC1 9545379 FEFUPCNFBYMZCV-UHFFFAOYSA-N 446.525 2.199 0 40 IEAB CCC1CCC(C(=O)N[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C(C)C)CC1 9668172 RTZCWQLZQDNDCX-NLPFYKDJSA-N 437.606 2.350 0 40 IEAB CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 9722616 DRZUDYGZEAEGBQ-STQMWFEESA-N 437.543 2.158 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OC)c(C)c3)n2)cc1 9844510 UPVHUCHWYZQTCA-UHFFFAOYSA-N 429.498 2.214 0 40 IEAB CC(C)[C@@H](Sc1nnc(COc2c(Cl)cccc2Cl)n1N)C(=O)NC(N)=O 10918739 VIBKPJRUIIMRGE-GFCCVEGCSA-N 433.321 2.189 0 40 IEAB COc1cccc(/C=C(/C(=O)OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c2ccccc2)c1 11200532 BVTNUJINRXMPOB-YSSBIZNGSA-N 443.521 2.472 0 40 IEAB O=C(CCn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccccc2F)CC1 12440173 CWVHCUPUBCJWNH-UHFFFAOYSA-N 446.486 2.460 0 40 IEAB CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccccc3F)C1=O)OCO2 12629146 SIEXTSDXZWTJSL-VIZOYTHASA-N 427.388 2.485 0 40 IEAB O=C(CSc1nnnn1Cc1cccs1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 12677245 ZSPDXRXCDFNRQO-HNNXBMFYSA-N 449.583 2.095 0 40 IEAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1 12777884 NGQLHQLLOJHEDC-UHFFFAOYSA-N 437.569 2.493 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(OC)cc5)C(=O)[C@@H]24)O3)cc1 12897333 ZXPRRSWBQCPNJX-FUCAVZNHSA-N 434.492 2.349 0 40 IEAB C[C@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(C(N)=O)cc1 12907410 AYIPYSHOCHFCCM-LAJNKCICSA-N 425.466 2.285 0 40 IEAB O=C(CN(C[C@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1)NCc1ccc(F)cc1 13501673 HRVDRHMVVKJJMB-QGZVFWFLSA-N 448.520 2.325 0 40 IEAB Cc1c(NC(=O)CSc2n[nH]c(=O)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 13521763 ZDPHOZNQZJFVHY-UHFFFAOYSA-N 436.497 2.089 0 40 IEAB CCOC(=O)N1CCC(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)CC1 13691396 RLDMBTFQKUNRSA-UHFFFAOYSA-N 426.520 2.019 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@]12Cc1ccccc1C(=O)N2 19082970 DAUIEKCTRPMWDD-UQBPGWFLSA-N 437.515 2.466 0 40 IEAB Cc1cc2nccc([C@H]3CCCN3C(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)n2n1 19130708 KALISTSMTMBDRH-QGZVFWFLSA-N 431.493 2.161 0 40 IEAB C[C@H](CN1CCOCC1)C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19456314 TUZGCIFEZJPUCT-MRXNPFEDSA-N 426.546 2.153 0 40 IEAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2 19708718 YRVFSPFFUKZCJJ-OAHLLOKOSA-N 447.536 2.130 0 40 IEAB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c(c1)OCCO2 20609179 PFSOVYWTHGNVBS-GOSISDBHSA-N 430.482 2.392 0 40 IEAB biogenic,in-vitro COc1ccc(OC)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)c1 21636554 FKIBXWDNVIBLPD-CQSZACIVSA-N 428.441 2.247 0 40 IEAB Cn1c(=O)c2ccccc2n2c(Cn3cnc4ccc(Br)cc4c3=O)nnc12 22987123 AZAOOWCEWDUKDG-UHFFFAOYSA-N 437.257 2.102 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23845944 ABTIDAVGOJZNJY-UHFFFAOYSA-N 430.526 2.289 0 40 IEAB COc1ccc2cc([C@]3(C)NC(=O)N(CN4CCN(c5ncccn5)CC4)C3=O)ccc2c1 23908933 KOJXDBAHJCVCCB-DEOSSOPVSA-N 446.511 2.185 0 40 IEAB O=C1CN(S(=O)(=O)c2ccc(C(=O)NC3CCC(c4ccccc4)CC3)cc2)CCN1 25647447 ZCWIBSVUHFHCGV-UHFFFAOYSA-N 441.553 2.263 0 40 IEAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 25703802 FHHNYLFZGZLPJQ-STQMWFEESA-N 432.502 2.095 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 26746426 BJOGLVDMRMCJJQ-OAHLLOKOSA-N 442.541 2.455 0 40 IEAB COc1ccc([C@@H](CNC(=O)CCc2nc3ccccc3[nH]c2=O)N2CCOCC2)cc1 32969214 GKIYXJLGYUSQJM-JOCHJYFZSA-N 436.512 2.054 0 40 IEAB CS(=O)(=O)N1CC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)Oc2ccccc21 38851395 XADLTHZZCOTRAK-HXUWFJFHSA-N 433.505 2.092 0 40 IEAB Nc1nc(COC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)nc2ccccc12 40013462 BRNAZGSWPDAHNV-UHFFFAOYSA-N 441.494 2.181 0 40 IEAB CCN(CCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1C 46847587 NQOYCGIIEVUGPL-UHFFFAOYSA-N 431.558 2.272 0 40 IEAB CCCn1c(=O)c2ccccc2n2c(=O)n(CC(=O)NCc3ccc(Cl)cc3)nc12 64580671 CRBXXNRXQQJSGM-UHFFFAOYSA-N 425.876 2.191 0 40 IEAB CCOc1ccc(NC(=O)c2cnc(N3CCN(C(=O)c4ccco4)CC3)nc2N)cc1 65154852 JXBJUACANQOZML-UHFFFAOYSA-N 436.472 2.265 0 40 IEAB CCC1(CC)NC(=O)N(CC(=O)N[C@@H](C(=O)OC)c2ccccc2C(F)(F)F)C1=O 69537867 CSHHEEIQTUFQTC-CQSZACIVSA-N 429.395 2.146 0 40 IEAB CC(C)(C)C(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)CN3CCCC3=O)o2)CC1 72344872 KLCPBGILCWXQFL-QGZVFWFLSA-N 445.564 2.498 0 40 IEAB Cc1nc([C@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)ncc1C(=O)N1CCOCC1 72345584 FEYUZLDPSZXGAC-KRWDZBQOSA-N 441.507 2.215 0 40 IEAB COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccccc3C)CC2)cc1OC 89689122 IXXUMRSWWBJPCR-UHFFFAOYSA-N 425.529 2.477 0 40 IEAB O=C(CCNC(=O)c1ccco1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 96544239 DOHFGLTUOSABOU-FOWTUZBSSA-N 431.445 2.391 0 40 IEAB C[C@H](NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)c1ccccc1 138860316 BEQOIITXEOVCIS-HOCLYGCPSA-N 443.887 2.254 0 40 IEAB O=S(=O)(Cc1ccco1)[C@@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 206695452 SCTJEWXQWQUWEN-CYBMUJFWSA-N 434.333 2.420 0 40 IEAB Cc1cccc(-c2noc(CN(C)C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)n2)c1 219672884 SZFAJCOSKRPFHH-UHFFFAOYSA-N 440.481 2.238 0 40 IEAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cc1 225264328 MYAYYUPZUHEKSP-FQEVSTJZSA-N 444.553 2.493 0 40 IEAB CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)ccc1OC 226045044 DKAMVHSCIAODCD-UHFFFAOYSA-N 442.497 2.304 0 40 IEAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CN3CCOCC3)CC2)n1 257213751 CIYCXKYXHIILFQ-WGSAOQKQSA-N 438.576 2.327 0 40 IEAB Cc1ccc(=O)n(CC(=O)N2CCO[C@@H](c3cccc(-c4c(F)cccc4F)n3)C2)n1 257213999 CKAJFKIIWIVKSK-LJQANCHMSA-N 426.423 2.492 0 40 IEAB Cc1nc2ccccc2n1CCCC(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c(N)ncnc32)C1 257241673 HZAQVQJGIVJNEV-WZONZLPQSA-N 448.531 2.071 0 40 IEAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)c2ccccc2OCc2nonc2C)C1 257303889 SJDYJPFMYAIKBE-HSZRJFAPSA-N 435.484 2.272 0 40 IEAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)CN4CCCCS4(=O)=O)C3)o2)cc1 257322911 WHYZXJUYSJUNSI-GOSISDBHSA-N 447.557 2.406 0 40 IEAB COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 408559955 NSGBDMNEYDEYNK-KRWDZBQOSA-N 448.541 2.430 0 40 IEAB COC(=O)c1c(NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)sc2c1CCC2 408612385 VCCBEHAGLAMHFO-UHFFFAOYSA-N 438.527 2.437 0 40 IEAB COc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408663713 QHTBNJFMSPJPEF-BLMTYFJBSA-N 426.469 2.009 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NCCc1ccc(F)c(Br)c1 517809459 SJCDZRAEXCOVCS-ZDUSSCGKSA-N 436.347 2.244 0 40 IEAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@@H]1C(=O)O 547923087 MCSCPHTVJSRUPL-NEPJUHHUSA-N 430.891 2.260 0 40 IEAB O=C1CN2CCN(C(=O)c3cnccn3)C[C@H]2COc2ccc(-c3ccccc3)cc2N1 1772594526 IVTZPINXEYYALW-IBGZPJMESA-N 429.480 2.301 0 40 IEAB CCc1nc(N2C[C@H]3CN(C(=O)c4cncc(Br)c4)C[C@@H]3C2)nc(O)c1F 1888875763 FXSRVDZWSQYYMZ-VXGBXAGGSA-N 436.285 2.250 0 40 IEAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cnccn3)n2)cc1 1372826 TYLSHCFUSGMCMY-UHFFFAOYSA-N 430.428 2.030 0 40 IEAB O=C1[C@H]2C3C=CC([C@H]2C(=O)N1Nc1ccccc1)[C@H]1C(=O)N(Nc2ccccc2)C(=O)[C@@H]31 3235499 GAUSSJFFZJVPNW-ICDVORIESA-N 428.448 2.059 0 40 IEAB CC1(C)O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 3977908 YNDXUCZADRHECN-OHBSHYRDSA-N 434.504 2.419 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 8979459 DNCIZFIYPLEHHM-GOSISDBHSA-N 427.482 2.013 0 40 IEAB C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 9502921 RPXAPBCSJLFZAZ-VOIUYBSRSA-N 437.496 2.406 0 40 IEAB Cn1c(=O)c2c(SCC(=O)NCc3ccco3)nc(C3CCCCC3)nc2n(C)c1=O 9517469 IAVJGXUWSZPWBK-UHFFFAOYSA-N 443.529 2.076 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c(OC)c1 9835824 DWWRNJUUMBJLQP-ZWKOTPCHSA-N 443.847 2.289 0 40 IEAB CCn1c(SCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)nnc1C1CC1 9868647 JXAMZDZOKIKISB-KRWDZBQOSA-N 434.587 2.483 0 40 IEAB C[C@@H]1CCCCN1C(=O)CSC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973924 CLVQFOJXKLPONY-CQSZACIVSA-N 430.530 2.495 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@H](c2cccc(F)c2)n2nnnc2N1 10232354 AJAPJAAWRGECSG-SFHVURJKSA-N 439.403 2.154 0 40 IEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)Cc2ccc(C)cc2)C[C@@H]1C(=O)N(C)C 12125187 DFHNNMGGAWTOOG-GJZUVCINSA-N 449.551 2.208 0 40 IEAB CCn1nc(CC(=O)N2CCC[C@@H](c3cc4nc(C)cc(O)n4n3)C2)c2ccccc2c1=O 12134418 XGCOLEBANMVWEG-MRXNPFEDSA-N 446.511 2.422 0 40 IEAB CCOc1cc(CN2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)ccc1OC 12184656 OOGPAKPOPFQHPJ-HOTGVXAUSA-N 428.533 2.349 0 40 IEAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n(-c3ccc(F)cc3)c(-c3ccccc3)cn21 12323901 MHBZPBISOHFRHV-UHFFFAOYSA-N 433.399 2.029 0 40 IEAB O=C(Cn1c(=O)cnc2ccccc21)N1CCN(CCOc2ccc(Cl)cc2)CC1 12939156 DQPDIUKCXDXMQG-UHFFFAOYSA-N 426.904 2.273 0 40 IEAB CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 13085181 XNHOXVQQJOXMSK-JOCHJYFZSA-N 440.519 2.363 0 40 IEAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 16627558 JYIPDMDVGSLYTQ-UHFFFAOYSA-N 430.530 2.243 0 40 IEAB O=C(CN1CCc2nc(N3CCCC3)[nH]c(=O)c2C1)N1CCC(Cc2ccccc2)CC1 19370581 FNZBLFBFZNOHMZ-UHFFFAOYSA-N 435.572 2.210 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C[C@H](C)n3cccn3)[nH]c2=O)C1 19501644 XASUFDBVMVSZIU-LPHOPBHVSA-N 440.548 2.356 0 40 IEAB CN(C)c1ncc(-c2cnn(C)c2)c([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 19693750 RGMRTPBJQADJOL-MRXNPFEDSA-N 434.500 2.344 0 40 IEAB O=C1CC[C@@H](C(=O)NCCc2nc(-c3ccccc3)ncc2C(=O)Nc2ccccc2F)N1 19697191 UFXGUEVUDJFBLR-FQEVSTJZSA-N 447.470 2.472 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245351 ICISMTXUVDRASA-UHFFFAOYSA-N 436.509 2.217 0 40 IEAB Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)N2CCOCC2)o1 32842210 IDAAXQZVWHGCJM-QRWLVFNGSA-N 447.557 2.102 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@]3(C)C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1 35313239 FBXMFZTWOZKAKG-XBJFUPPCSA-N 443.588 2.443 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 35655092 SNWPOWGIBAZLNI-HNNXBMFYSA-N 443.529 2.397 0 40 IEAB CN1CCN(Cc2ccc(CNC(=O)Nc3cccc(Cn4cccnc4=O)c3)cc2)CC1 48331755 HBQFFMOVLKXDID-UHFFFAOYSA-N 446.555 2.361 0 40 IEAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)C1 48343429 RNJSPYRSNZPVLX-KRWDZBQOSA-N 449.529 2.492 0 40 IEAB CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)c1 58244694 LICIBYOAGUVGQW-OAQYLSRUSA-N 443.569 2.337 0 40 IEAB COc1cccc2sc(N(C)CC(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)nc12 70640876 YNGCXSVPOOBWDR-UHFFFAOYSA-N 448.526 2.205 0 40 IEAB O=C(COc1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70641064 VNWQTOHFQKLHAQ-UHFFFAOYSA-N 432.406 2.409 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)C1CN(C(=O)c2cccs2)C1 70809867 VLRPHOLFNLEPRD-UHFFFAOYSA-N 443.510 2.050 0 40 IEAB COc1ccc2occ([C@@H](CC(=O)N3CCOCC3)c3oc(C)cc(=O)c3O)c(=O)c2c1 96116244 RNAIPOMIAZYESY-OAHLLOKOSA-N 441.436 2.150 0 40 IEAB biogenic O=C(c1cccs1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251353 DXHCRDQHBPXGKY-JTSKRJEESA-N 425.558 2.423 0 40 IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)OCC)cc2)cc1 222666714 QDKKKNKVAOKFTL-UHFFFAOYSA-N 434.514 2.498 0 40 IEAB C[C@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223849257 WGWTUXWSJCLOND-UONOGXRCSA-N 442.534 2.261 0 40 IEAB Cc1ccc(CCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 224495139 AXJURNFQOPQLLC-UHFFFAOYSA-N 446.569 2.452 0 40 IEAB O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCC(Cc3ccccc3)CC2)C1 643551096 SKFRNVSUISXFMA-BJKOFHAPSA-N 444.597 2.128 0 40 IEAB O=C(C[C@@H]1Cc2c(O)nc(=O)n(Cc3ccco3)c2NC1=O)Nc1ccc(Cl)cc1 1548338381 WFDKBUHWUMKITC-NSHDSACASA-N 428.832 2.383 0 40 IEAB C=CC(=O)N1CCC(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)(c2ccccc2)CC1 1633586953 ICRJIKSDBAFVSB-GOSISDBHSA-N 426.586 2.368 0 40 IEAB O=C1CN2CCN(C(=O)c3ccncc3)C[C@@H]2COc2ccc(-c3cccnc3F)cc2N1 1772594520 IKKBHHWHRUDSOL-GOSISDBHSA-N 447.470 2.440 0 40 IEAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)n(-c2cccnc2)n1 2332241655 SNYGOHBOXZYCJC-GDIGMMSISA-N 431.493 2.085 0 40 IEAB CN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)CC1 6013468 VYJGAQPGBAMTGX-UHFFFAOYSA-N 425.913 2.345 0 40 IEAB COCCNC(=S)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6136230 RJTBVRUDPGOGFV-UHFFFAOYSA-N 426.498 2.175 0 40 IEAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCC[C@H]1CO 8995994 FGJCXWZVEVSKAH-FDFFUELDSA-N 445.585 2.159 0 40 IEAB biogenic NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 9056325 XYTUSIQFRXGMNM-GOSISDBHSA-N 444.582 2.440 0 40 IEAB O=C(O)COc1ccc(-c2nnn(Cc3cc4c(cc3Br)OCO4)n2)cc1 9410015 HZPGLVBPEZMREY-UHFFFAOYSA-N 433.218 2.343 0 40 IEAB O=C(CSc1cccc[n+]1[O-])Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9580475 ANNKUGUSJPKZOF-UHFFFAOYSA-N 427.935 2.489 0 40 IEAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccccc2)CS(=O)(=O)C3)c(C)c1 10250621 NHHHRAOBRIZLQJ-UHFFFAOYSA-N 438.509 2.172 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)CC2)cc1 10339680 PCNZVSOCVAIFCY-IBGZPJMESA-N 445.516 2.483 0 40 IEAB COc1ccc(-c2cc(C(=O)NCc3cccnc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11906925 RFHKTGMKTDSKFH-QGZVFWFLSA-N 426.498 2.243 0 40 IEAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3c(S(C)(=O)=O)cnc4ncnn34)CC2)cc1 12158849 NZNJOLYQGLFZRE-OAHLLOKOSA-N 427.530 2.346 0 40 IEAB O=C(c1c(-n2cccc2)sc2c1CCCC2)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12806508 QSIZFQBCFJZOFR-MRXNPFEDSA-N 433.599 2.363 0 40 IEAB COc1ccccc1CCNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl 12916369 RAVRZDIJQBZRGU-UHFFFAOYSA-N 438.311 2.207 0 40 IEAB O=C(N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1(c2ccccc2)CC1 12929430 JLJCPAPNYUUYLP-UHFFFAOYSA-N 428.510 2.023 0 40 IEAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 13062952 SGKCBEGWPZEQCJ-BZUAXINKSA-N 429.533 2.164 0 40 IEAB COc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3cc(C)cc(C)c3)n2)cc1 16842674 SYPQJCYNUJHISH-UHFFFAOYSA-N 427.482 2.340 0 40 IEAB O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 17178446 CASWJGHCFNKICO-QFIPXVFZSA-N 439.512 2.366 0 40 IEAB Cc1cccc(OCCNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 18147464 KGJDMGDUFUNZEQ-UHFFFAOYSA-N 427.526 2.351 0 40 IEAB Cc1nc(C[C@@H](NCc2cnc(N3CCOCC3)nc2)c2ccc(Cl)cc2)cc(=O)[nH]1 19285359 JDYRQWZFLYOESU-HXUWFJFHSA-N 440.935 2.432 0 40 IEAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 19572482 MIVGALWOKYZOBV-JOCHJYFZSA-N 433.549 2.394 0 40 IEAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2 19710307 KFPSCGLVWANQAX-OAHLLOKOSA-N 431.562 2.083 0 40 IEAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2C)CC1 19928887 TZKIVVYXQJEWKG-UHFFFAOYSA-N 431.558 2.016 0 40 IEAB Cc1cc(CSc2ccccc2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)no1 23995531 BMNBMGSQBKKXLC-KRWDZBQOSA-N 435.571 2.220 0 40 IEAB COc1cc([C@@H]2NC(=O)N[C@](O)(c3ccc(F)cc3)[C@@H]2C(=O)C(F)(F)F)ccc1O 27754494 OSUXVINHXSIPRE-MPGHIAIKSA-N 428.338 2.487 0 40 IEAB CC(C)(C)OC(=O)NC1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 32937092 PZSPKJGZMDQJSM-QFIPXVFZSA-N 448.495 2.108 0 40 IEAB O=C(NCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccc2ccccc2c1 35325819 QAETUROGUBPTDE-UHFFFAOYSA-N 436.556 2.116 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCN4CCCC[C@H]34)CC2)cc1 36585443 QZJLAZRTFVNMFE-DENIHFKCSA-N 449.617 2.477 0 40 IEAB biogenic O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 36614575 LQEPPGCPLZKQJY-UHFFFAOYSA-N 431.489 2.099 0 40 IEAB COc1ccc(-c2cc3c4nn(CC(=O)Nc5cccc(OC)c5)c(=O)n4ccn3n2)cc1 38487546 BAMPPWYSEIBYQF-UHFFFAOYSA-N 444.451 2.467 0 40 IEAB COc1ccc(CCN2CC(=O)N(c3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 57747688 QQOQZEJZFFOHEG-FCHUYYIVSA-N 428.554 2.369 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](OC[C@H]1CCCO1)C(C)C 58061180 XHVJTDZFYSOSMH-XLIONFOSSA-N 440.562 2.175 0 40 IEAB COCCNC(=O)c1nnn(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 71002329 XGVSVLCVSHAGDZ-UHFFFAOYSA-N 434.378 2.310 0 40 IEAB CO[C@H](C)c1nc(CN2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cs1 78990839 FQHSCSOYQADUIP-CYBMUJFWSA-N 438.575 2.349 0 40 IEAB CCOc1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc(O)ccc5[C@@H]4[C@H]3C2=O)cc1 79487987 ILZMDKUUNVHAOI-NUJGCVRESA-N 438.461 2.269 0 40 IEAB COc1cccc(C(=O)N2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)c1 96263059 RQNSJBBSSJNDCV-LJQANCHMSA-N 426.517 2.194 0 40 IEAB CC(C)C[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(=O)NCCCOC(C)C 136875585 KPDHGBNDPTXVDC-ZCNNSNEGSA-N 446.592 2.323 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223074329 BMWRJUHSQDAPQJ-FQEVSTJZSA-N 431.558 2.314 0 40 IEAB COc1cccc(CNC(=O)Cc2c(C)nc([C@@H]3CCN(C(=O)c4cc[nH]n4)C3)nc2C)c1 257205531 AZMRVTCXZOUYRL-GOSISDBHSA-N 448.527 2.314 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 257276705 NUVJHJJUQKBPBQ-HNAYVOBHSA-N 439.491 2.008 0 40 IEAB O=C(C[C@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)C1)NCc1ccc2c(c1)CCCO2 257281020 ONIHJCDEULYJQY-GOSISDBHSA-N 440.544 2.303 0 40 IEAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)n1 257332824 XYUYFLSIZVUZLG-HXUWFJFHSA-N 434.500 2.453 0 40 IEAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(OCCCN)cc3)C2)c2cnccc2n1 257339453 ZBUVVKUHGOYNJX-RUZDIDTESA-N 449.555 2.427 0 40 IEAB CN(c1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1)S(C)(=O)=O 260504325 GRDKJFCVUHVFHN-QGZVFWFLSA-N 431.514 2.244 0 40 IEAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1I 409173995 OYRCZCSCVDFBGH-XYOKQWHBSA-N 444.225 2.146 0 40 IEAB O=C1[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(Br)cc1Cl 409306635 QHXGSCNXDSRXDC-KOFHJDLBSA-N 426.650 2.288 0 40 IEAB O=C1NCCN1[C@H]1CCCN(S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)C1 583534334 KVENMAAFGNLPJW-HNNXBMFYSA-N 427.486 2.068 0 40 IEAB COCCOc1cc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)ccc1OC 585269837 LVCFJPMXJHQUPQ-GOTSBHOMSA-N 441.572 2.088 0 40 IEAB O=C(NCC(=O)N1CCc2ccccc2C1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 588063222 SWUDWVKZAMIMSW-UHFFFAOYSA-N 430.508 2.438 0 40 IEAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)Cn2cc(C)cn2)Cc2ccccc21 643554358 HHFRGBZDHDTKTP-UHFFFAOYSA-N 441.576 2.314 0 40 IEAB COc1ccc2c(=O)n(CC3CCN(Cc4nnc([C@@H]5CCOC5)o4)CC3)cnc2c1 1849562820 OIQLZTAJNTTZRG-MRXNPFEDSA-N 425.489 2.204 0 40 IEAB CCS(=O)(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)C1 6161929 DJTNHJUQUUMSAK-ZDUSSCGKSA-N 436.925 2.158 0 40 IEAB COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc(C(=O)OC)c1 8816452 DEODWIHKBPDJJW-OAHLLOKOSA-N 426.425 2.260 0 40 IEAB O=C(NCCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 9283206 PULCSNFANXXFNY-UHFFFAOYSA-N 426.897 2.473 0 40 IEAB CN(Cc1ccc2c(c1)OCO2)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9513163 SGDJCHJHZXSLQM-UHFFFAOYSA-N 431.452 2.429 0 40 IEAB CCCCNC(=O)CSC(Nc1ccc(OCC)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9974377 WZPMJPABWPDDNT-UHFFFAOYSA-N 448.545 2.409 0 40 IEAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 10762731 PSAVKVASRZKACH-JMERFSKESA-N 447.454 2.220 0 40 IEAB CCCn1nc(C)c(C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C 12089452 YKJFTURDWBCHHU-HXUWFJFHSA-N 431.562 2.492 0 40 IEAB Cc1cc(NC(=O)[C@@H]2C[C@H](c3cccs3)NS(=O)(=O)N2C)n(-c2ccccc2)n1 12159675 XWLJPHIIQNCIPX-CVEARBPZSA-N 431.543 2.461 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(/C=C/C(=O)O)cc2)CC1 12992943 SBFVLNKARHLWMK-VMPITWQZSA-N 433.486 2.429 0 40 IEAB O=C(C[C@@H]1CS(=O)(=O)C[C@@H]1CC(=O)NCCc1ccccc1)NCCc1ccccc1 17746804 UQVDCLFBCGJMAZ-SZPZYZBQSA-N 442.581 2.145 0 40 IEAB CCc1ccc([C@@H](CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)N(C)C)cc1 18017150 MGPCSPUYHVDLTM-LJQANCHMSA-N 428.558 2.097 0 40 IEAB Cn1cnc2ccc(NC(=O)Cn3cc(C(=O)NCc4ccc(F)cc4)ccc3=O)cc21 19751653 FPPMJZACCJAURW-UHFFFAOYSA-N 433.443 2.443 0 40 IEAB Cc1ccc(C(=O)O[C@H](C)CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 19831949 ITYRTPYRQXJRNZ-QGZVFWFLSA-N 427.526 2.307 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCc2csc(-c3ccccn3)n2)cc1 19942415 SUWDBFHLAAWHJC-UHFFFAOYSA-N 442.522 2.380 0 40 IEAB CCOCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 20009030 ABKXPDUHZCJFNF-FQEVSTJZSA-N 434.558 2.436 0 40 IEAB COc1cc2ncn(CC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)c2cc1OC 20730045 HCGHWYXXSLSDTJ-RMKNXTFCSA-N 448.523 2.271 0 40 IEAB COc1ccc(N(CC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)c(OC)c1 22333492 CWASYCZSAWFPLE-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccc(Br)s2)CC1 22785223 DTZSSLPCNFMPIN-NSHDSACASA-N 426.388 2.223 0 40 IEAB CC(C)(C)c1cn2nc(N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)sc2n1 23371074 SVBDASJLBWJBGL-UHFFFAOYSA-N 429.575 2.480 0 40 IEAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 23818678 QEFVNIJANQPGRW-VOTSOKGWSA-N 440.573 2.309 0 40 IEAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 32882071 VVNBIPOCPFIYFN-KSSFIOAISA-N 433.892 2.110 0 40 IEAB Ic1ccccc1-c1nn2c(CN3CCOCC3)nnc2s1 71260500 CSXGIRCBKSYQET-UHFFFAOYSA-N 427.271 2.290 0 40 IEAB CCS(=O)(=O)c1ccc2oc(CN3C[C@H](C(=O)N(C)C)Oc4ccccc43)nc2c1 84811661 NMNTVYMLMYDYTC-LJQANCHMSA-N 429.498 2.477 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC[C@@H](O)c2ccc3c(c2)OCO3)cc1 90612566 VTIYMVWIPJBUCR-GOSISDBHSA-N 434.514 2.299 0 40 IEAB COC(=O)c1ccc(OC)c(CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@H]32)c1 95481470 ICXKDMNISLCUNS-IRXDYDNUSA-N 430.367 2.253 0 40 IEAB O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96105230 MXSTZLGJCMBBJA-UHFFFAOYSA-N 433.501 2.431 0 40 IEAB CC(=O)Nc1ccc2c(COC(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc(=O)oc2c1 101646914 NALNCYMDIAYEQL-JBBXEZCESA-N 440.452 2.358 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 108496665 YEOXLNQSFCCROZ-AIADIJKESA-N 443.569 2.220 0 40 IEAB COC(=O)c1cn(C(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c2ccccc12 222649698 ZRBWQMHFIZFIRF-UHFFFAOYSA-N 446.481 2.406 0 40 IEAB Cc1ccc(-c2noc(CN(C)C(=O)CN(Cc3ccccc3)S(C)(=O)=O)n2)cc1 223434021 WRUOGHDBHFOKLG-UHFFFAOYSA-N 428.514 2.465 0 40 IEAB CC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224567612 IPNLWQAXCBQTBR-QFIPXVFZSA-N 445.585 2.380 0 40 IEAB Cc1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)N(C)c1ncccc1S(=O)(=O)N2C(C)C 306143111 XTMQGULFGJNUJR-MOPGFXCFSA-N 428.558 2.061 0 40 IEAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCCN2CCOCC2)cc1 408623527 RQCAFEBWPLIQMV-UHFFFAOYSA-N 431.558 2.105 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 408623643 PEZCUDDSXBNAFI-OAHLLOKOSA-N 437.949 2.364 0 40 IEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[C@@H](CCOc4ccccc41)O3)N(CC1CC1)C2 514287447 CQYVBULVNDDQMK-IWFBPKFRSA-N 427.545 2.106 0 40 IEAB O=C(C[C@]1(COc2ccc(F)cc2)CN(Cc2ccc(O)cc2)CCO1)N1CCOCC1 585272930 KVRLGQJIBAVDDL-XMMPIXPASA-N 444.503 2.430 0 40 IEAB CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3c2O[C@H](C)C(=O)N3)cc1 591159491 HKTWRVFQMBHWOY-CQSZACIVSA-N 431.514 2.365 0 40 IEAB CCCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 673481517 RTCRSDHAOVIPKQ-UHFFFAOYSA-N 438.531 2.153 0 40 IEAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 8707684 GENMBPQIZYMFMF-UHFFFAOYSA-N 426.897 2.359 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-n2cnnn2)cc1 8777795 PSFXUJUBCNVHJW-UHFFFAOYSA-N 427.471 2.172 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cncc(Br)c1 8834058 ZUHFWMATSAVJHU-UHFFFAOYSA-N 426.292 2.117 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O 9396740 TZMNZUVOCKELIW-UHFFFAOYSA-N 443.331 2.448 0 40 IEAB CSc1nc(COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc(=O)[nH]1 9778001 IROHOQNLWVAARI-UHFFFAOYSA-N 437.543 2.414 0 40 IEAB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 10220641 LFBGYAVTVDPRJS-UHFFFAOYSA-N 437.543 2.149 0 40 IEAB CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC)[C@@H]1CCS(=O)(=O)C1 11133044 SDPMDGNAWQCEIN-CYBMUJFWSA-N 443.616 2.222 0 40 IEAB CCCc1nc(SCC(=O)Nc2cccc(Cl)c2)c2c(=O)n(C)c(=O)n(C)c2n1 11758085 WFNAKDYCUTWUGU-UHFFFAOYSA-N 433.921 2.364 0 40 IEAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@@H](C)C(=O)O)CC1 12880027 KIDORVQUOANXCJ-UCMFOZJVSA-N 441.569 2.438 0 40 IEAB biogenic CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)c1ccccc1F 13566389 CACBZGIZQALMTM-UHFFFAOYSA-N 449.504 2.363 0 40 IEAB C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 15197382 HJEGVAUMOZLUDJ-HNNXBMFYSA-N 436.555 2.366 0 40 IEAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)s1 15345058 ZKSQFIZXPVLXOI-UHFFFAOYSA-N 427.979 2.366 0 40 IEAB C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(S(N)(=O)=O)cc1 17852057 WJMCGODZUFQFBI-JTQLQIEISA-N 430.267 2.430 0 40 IEAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C)CC3)cc2c1 19220907 ZQBUOSPBAYGIMU-JOCHJYFZSA-N 447.518 2.347 0 40 IEAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C)CC3)cc2c1 19220910 ZQBUOSPBAYGIMU-QFIPXVFZSA-N 447.518 2.347 0 40 IEAB CCN1CCN([C@@H](c2cc3ccc(OC)cc3[nH]c2=O)c2nnnn2C(C)(C)CC)CC1 19499625 OVNQNZGFCXBLLE-FQEVSTJZSA-N 439.564 2.395 0 40 IEAB COc1cccc(CCC(=O)N2CCC3(CC2)Nc2cc(OC)ccc2S(=O)(=O)N3)c1 19564574 MTBXMMNNPWXTGB-UHFFFAOYSA-N 445.541 2.359 0 40 IEAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)Cn4cncn4)CCN(C)C3=O)cc2)cc1 19589382 RBMDZSRNRJMCKD-OAQYLSRUSA-N 433.512 2.113 0 40 IEAB COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 19593174 CVDNIOBBWVGAKR-LJQANCHMSA-N 430.549 2.325 0 40 IEAB O=C(Cn1cc(C(=O)N2CCC[C@H](CN3CCCC3)C2)ccc1=O)NCc1ccccc1 19751017 SMYLMWRJPDKGHC-OAQYLSRUSA-N 436.556 2.113 0 40 IEAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 21817369 FILUVEJNMWGFQQ-LJQANCHMSA-N 447.944 2.287 0 40 IEAB COc1ccccc1CCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O 22334146 ZISJZTUPKHIVJN-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 22798914 IBFHOUHZTKDFCB-HXUWFJFHSA-N 436.556 2.157 0 40 IEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 25171582 TVYJWEPKNVDCPT-IBGZPJMESA-N 436.503 2.469 0 40 IEAB COCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O 26100146 LZPXEDXKZNIRHK-UHFFFAOYSA-N 446.617 2.272 0 40 IEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccccc1NS(C)(=O)=O 30854446 VQBSEPVKTRYGOS-UHFFFAOYSA-N 441.531 2.006 0 40 IEAB CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)cc(I)c1OCC 38207590 KXEYDFPUVAAJAF-NSHDSACASA-N 428.230 2.265 0 40 IEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)C2=O 40040060 GGMCFKJPGQDTEQ-IQMFZBJNSA-N 427.501 2.314 0 40 IEAB CCOCCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 40157261 SWRVEMDUBHMLDK-IBGZPJMESA-N 426.579 2.195 0 40 IEAB CCn1c(N2CCN(Cc3c(Cl)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952333 XXUGVVMDSULBNA-UHFFFAOYSA-N 437.331 2.072 0 40 IEAB Cn1cnc(S(=O)(=O)Nc2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)c1Cl 72301074 AZMAVVZCDZWSME-UHFFFAOYSA-N 443.309 2.108 0 40 IEAB COc1ccc(OC)c(N2C(=O)C[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)c1 96834556 MKQBXXOZAACHFD-GOSISDBHSA-N 426.469 2.411 0 40 IEAB biogenic COCC(=O)N1CCc2c(nc3cc([C@@H]4CCCN4C[C@H]4CC=CCC4)nn3c2O)C1 100234445 CUKHGQWODODVRM-JXFKEZNVSA-N 425.533 2.459 0 40 IEAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(C/C=C\c4ccccc4)CC3)C2=O)cc1 100279145 BWFKSXOESQXZOQ-HUPBUCHYSA-N 433.508 2.436 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)CC1 220729549 FPJTWEJLYBDRLA-QGZVFWFLSA-N 445.969 2.494 0 40 IEAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2cccc(CN3CCOCC3)c2)c1 224737918 IQZVRLRUPPDZNB-UHFFFAOYSA-N 437.949 2.474 0 40 IEAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225602395 KHFOCKKOTRMMHR-UHFFFAOYSA-N 436.491 2.357 0 40 IEAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 253590602 CIFNHTFCARQDLZ-IIMJZQEZSA-N 425.533 2.292 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)c4snnc4C)CCO3)c2)cn1 257313122 URDADUDUBOWCNI-SFHVURJKSA-N 438.513 2.185 0 40 IEAB O=C(Nc1nnc2ccc(Cl)nn12)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 1115820502 QBHVWZZXJYTBSC-UHFFFAOYSA-N 439.840 2.407 0 40 IEAB COc1ccccc1CC(=O)N1CCCN(c2ccc3nnc(-c4ccncc4)n3n2)CC1 1775974419 QQKIUTZZNOGJGG-UHFFFAOYSA-N 443.511 2.476 0 40 IEAB COC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccccc2)c(C(=O)OC)c1C 1896277 XTPXMAZBRNEDMM-UHFFFAOYSA-N 425.484 2.432 0 40 IEAB CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4cccc(OC)c4)sc3nc2=O)cc1 2449711 OHAFIFWKTIFMEB-ZHZULCJRSA-N 435.505 2.447 0 40 IEAB CCOC(=O)C(=CNc1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1)C(=O)OCC 8629619 NSADHMIBEJDQGB-SFHVURJKSA-N 433.379 2.422 0 40 IEAB CC(C)C[C@H](NC(=O)C1CCC(CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 8791106 KPZYKZKTIXZRHP-VXLLPVPCSA-N 441.569 2.438 0 40 IEAB biogenic CC[C@@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)N1CCn2c1nc1ccccc12)C(=O)O 9130495 PAKNQKSBEDREPN-KMFMINBZSA-N 447.561 2.303 0 40 IEAB Cc1ccc(-c2nnc(SCc3cccc(S(=O)(=O)N4CCOCC4)c3)n2N)cc1 9439614 LXQNTZSAZCSZSV-UHFFFAOYSA-N 445.570 2.281 0 40 IEAB Cc1noc(C)c1COc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 9506845 KBOCSGMLIVENJA-UHFFFAOYSA-N 429.498 2.490 0 40 IEAB CN(C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 9612749 UXNPKIAJFNEKGZ-AWEZNQCLSA-N 428.466 2.297 0 40 IEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCO2)C1 9667777 ZHHSFQROYPHFRL-HOCLYGCPSA-N 430.954 2.435 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)c(OC)c1 9674535 XNLBAXWRHRTOHM-QZTJIDSGSA-N 443.847 2.289 0 40 IEAB C[C@@H](CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)NC(=O)c1ccccc1 12799827 AOFQXYPVCZBQTB-KRWDZBQOSA-N 426.492 2.117 0 40 IEAB CC(C)CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)cc2C1=O 12845827 RXMHJSOCGDHZOS-CQSZACIVSA-N 443.525 2.467 0 40 IEAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 13001762 NWFLMABOOCGOFY-ZDUSSCGKSA-N 434.468 2.269 0 40 IEAB O=C(NC[C@@H](O)c1ccccc1)C(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21 13628706 AIPIRRGZHHQOHJ-FGZHOGPDSA-N 429.476 2.241 0 40 IEAB COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)c2ccccc2)cc1 16955057 KMPMFUKGLPWMCM-UHFFFAOYSA-N 449.492 2.218 0 40 IEAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 17712176 INCQRERAJIXSSL-AOMKIAJQSA-N 436.464 2.374 0 40 IEAB Cc1cccc([C@H](Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)Cn2cccnc2=O)c1 19234453 CKLIXHDAYQVGBC-FQEVSTJZSA-N 432.528 2.385 0 40 IEAB CC(C)(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699675 CDENEPDCFJTUDX-SFHVURJKSA-N 440.544 2.250 0 40 IEAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(S(=O)(=O)c1ccc(C)c(F)c1)C2 19707292 BGBGTQMQWADFKE-IBGZPJMESA-N 447.536 2.396 0 40 IEAB COc1cccc(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(OC)c4)C3)CC2)c1 20739936 OGQXFIGRBKZLBS-SFHVURJKSA-N 437.496 2.041 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(N2CCOCC2)cc1 21888505 VEPCAHBFTPYRPD-UHFFFAOYSA-N 432.546 2.133 0 40 IEAB Cc1c(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cnn1-c1ccccc1 40017204 RNAWWAPGCTWSRQ-JOCHJYFZSA-N 432.480 2.305 0 40 IEAB Cc1csc(NC(=O)CN2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)n1 56932032 KSHNUMMOCPBJDZ-UHFFFAOYSA-N 431.493 2.116 0 40 IEAB COc1ccc(OC)c(CCN2CC(=O)N(c3ccc(C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 57747642 SOCFXXBFDVVUBW-LEWJYISDSA-N 444.553 2.069 0 40 IEAB O=C1N[C@]2(COC3(CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)C2)Nc2ccccc21 72325183 MXRAJGQFFMFGIH-XMMPIXPASA-N 435.480 2.405 0 40 IEAB C[C@H](C(=O)N1CCc2ccccc2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326646 SBXWPHANMDOXBL-NSYGIPOTSA-N 433.508 2.491 0 40 IEAB CCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccsc1C(=O)OC)CC2 77196373 AIVWLZBNUOBDPJ-UHFFFAOYSA-N 431.517 2.307 0 40 IEAB CCc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)o1 96243758 ZZQAFMSPQOYOTQ-ICSRJNTNSA-N 428.533 2.224 0 40 IEAB O=C(CN1C(=O)S/C(=C/c2ccc(F)c(Br)c2)C1=O)N1CCOCC1 214315297 JFVNZMXDKLEDHE-MDWZMJQESA-N 429.267 2.483 0 40 IEAB COc1ccc(C(C)C)cc1S(=O)(=O)NCCNS(=O)(=O)c1ccc(C)cc1 223012220 SOSHZQHAQGNDKH-UHFFFAOYSA-N 426.560 2.384 0 40 IEAB COc1cccc(-c2noc(CNC(=O)CN(Cc3ccc(C)cc3)S(C)(=O)=O)n2)c1 223333415 OIOUCPHIAABLHV-UHFFFAOYSA-N 444.513 2.132 0 40 IEAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2nnc(SCc3ccccc3)s2)CC1 224505371 QXYFUMSHPMVCOX-UHFFFAOYSA-N 441.604 2.287 0 40 IEAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 225244149 FAXIMQYSBBHPRD-YBFXNURJSA-N 438.550 2.371 0 40 IEAB Cn1ccc2cc([C@@H](O)CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 240122537 WCBLEGAJAOGWER-NRFANRHFSA-N 427.526 2.426 0 40 IEAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666149 SJXBBWKRUOTRSW-UKTVDESPSA-N 449.301 2.350 0 40 IEAB O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)c1cn(Cc2ccccc2)nn1 534368519 QSCCBIMMKANIKX-UHFFFAOYSA-N 439.541 2.182 0 40 IEAB C[C@@]1(C[C@@H]2CCCN2C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)NC(=O)NC1=O 557609469 WJBNVMUNXOHDQF-SGTLLEGYSA-N 437.378 2.348 0 40 IEAB CS(=O)(=O)N1CCCC[C@@H]2[C@H]1CCCN2CC1(O)CCN(c2ccc(F)cc2)CC1 585282283 CRDPIYNNYYPUIQ-NHCUHLMSSA-N 439.597 2.436 0 40 IEAB COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(-c3nc[nH]n3)ccc2F)C1=O 1530907276 LZZRPCNGTXENSB-OAQYLSRUSA-N 438.419 2.025 0 40 IEAB COc1ccc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)cc1OCC(N)=O 1547139238 PZRAGXUFXDBJRQ-NRFANRHFSA-N 446.463 2.241 0 40 IEAB biogenic O=C(COCc1ccccc1)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1775972197 CSCAGVIBKUPALP-UHFFFAOYSA-N 434.422 2.399 0 40 IEAB COc1cc2c(=O)c(-c3ccc(OC(=O)[C@H](C)O)cc3)coc2cc1OC(=O)[C@H](C)O 2060990718 VHLGZVLPSYCFEK-RYUDHWBXSA-N 428.393 2.041 0 40 IEAB O=C(NC1CCCC1)N[C@@H]1C[C@H](C(=O)NC2CC2)[C@@H](O)[C@H]1c1cnc(-c2ccccc2)[nH]1 2332241775 GDYZPYCVSHMNGZ-UYWIDEMCSA-N 437.544 2.430 0 40 IEAB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)s1 3419692 KSUFKQATAFTZBP-HNNXBMFYSA-N 431.514 2.193 0 40 IEAB Cc1ccccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3529649 CWBBRQVOQLTJJI-UHFFFAOYSA-N 436.917 2.338 0 40 IEAB Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2c(=O)n(C)c(=O)n(C)c2n1 4035033 FFXJPCQDIPKZQX-UHFFFAOYSA-N 439.419 2.085 0 40 IEAB COc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1OC 5252392 HQWNYSFHOXVENS-UHFFFAOYSA-N 425.485 2.300 0 40 IEAB Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccc(F)cc1 8706539 JQECGRPXBFUSKM-UHFFFAOYSA-N 438.507 2.380 0 40 IEAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c1 8789119 YWOAWPNVTVYAFW-GHCZAOPSSA-N 433.464 2.093 0 40 IEAB biogenic CCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 8954962 RMVZJVXFICDGTL-UHFFFAOYSA-N 432.527 2.299 0 40 IEAB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 9050131 DGEAPMPKFICPFM-KRWDZBQOSA-N 448.976 2.485 0 40 IEAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@H]4CCS(=O)(=O)C4)c(=O)c23)cc1C 9494277 VQRNZKFKQWGUHX-HNNXBMFYSA-N 431.539 2.045 0 40 IEAB Cc1cc(C)n2c(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)nnc2n1 9509905 KEYXREBVPGQRLJ-UHFFFAOYSA-N 446.558 2.256 0 40 IEAB CCc1nn2c(=O)cc(CN3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)nc2s1 9515780 OFJJIESBBSNSIR-UHFFFAOYSA-N 441.513 2.293 0 40 IEAB CCOc1ccnc2c1c(=O)n(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c(=O)n2C 9571878 GFPGFDQKIKZSPX-UHFFFAOYSA-N 438.362 2.031 0 40 IEAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 9613922 HLPXVQZPQINDSW-KRWDZBQOSA-N 429.432 2.448 0 40 IEAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ncccc32)cc1 9660564 FFTJKLAFAUGBQQ-UHFFFAOYSA-N 443.463 2.204 0 40 IEAB CCSc1nnc(NC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)s1 9820981 RQRYHPQPPFNZAP-UHFFFAOYSA-N 438.531 2.149 0 40 IEAB COc1cc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc(OC)c1OC 9888100 VKWYIZZMEDBBIF-UHFFFAOYSA-N 434.514 2.355 0 40 IEAB CCOC(=O)C1=C(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)NC(=O)NC1 11611284 WQDGDWJMKPPASI-UHFFFAOYSA-N 443.316 2.188 0 40 IEAB COc1ccc(CNS(=O)(=O)c2cc(N3CCCCS3(=O)=O)ccc2OC)cc1 12004637 DLYYABIKUUFSLF-UHFFFAOYSA-N 440.543 2.112 0 40 IEAB COc1ccc2c(c1)CCN(C(=O)CN1CC[C@]3(CCC1=O)NC(=O)c1ccccc1O3)C2 12085728 OMPOZNCFNFVCDB-RUZDIDTESA-N 449.507 2.111 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCn1nc(C)cc1C 12975186 MVVADHZWGMGLPT-KRWDZBQOSA-N 442.582 2.246 0 40 IEAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccc3oc(=O)ccc3c2)CC1)c1ccccc1 13723169 ZRZCALYQVLIMQC-UHFFFAOYSA-N 433.464 2.400 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)cc2)C[C@H](C)O1 15916690 QDJZIMYNDRVJEZ-HOTGVXAUSA-N 446.525 2.437 0 40 IEAB Cc1ccsc1CN1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCOCC3)n2)C1 19238713 ODZOXJSOHWBAHU-ROUUACIJSA-N 429.590 2.423 0 40 IEAB Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCCN2CC(=O)NC2CCCCC2)n1 19767196 GXZMXBQHYGYEEM-FQEVSTJZSA-N 429.565 2.233 0 40 IEAB CCOc1ccc(OCC)c(S(=O)(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)c1 19924014 OJKMRPKYHZXLMW-UHFFFAOYSA-N 446.533 2.159 0 40 IEAB O=C(O[C@@H]1C2CCN(CC2)[C@@H]1CN1CCOCC1)[C@@](O)(c1ccccc1)C1CCCC1 22588461 HUNNPEGZZSIPJQ-VDKIKQQVSA-N 428.573 2.403 0 40 IEAB Cc1ccccc1OCC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134324 HHQYIEDIIWXHJV-UHFFFAOYSA-N 426.908 2.347 0 40 IEAB CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2ncccn2)CC1 26537622 FAUSQSDELKQXCB-QGZVFWFLSA-N 446.349 2.342 0 40 IEAB COc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)c1 27663078 LEAOXAXQXUQADP-CYBMUJFWSA-N 434.539 2.415 0 40 IEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375248 AWQDYKVTPRVKJN-YRVIIDLLSA-N 437.471 2.293 0 40 IEAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)cc1 44886086 SVHUDSJBQSSERQ-UHFFFAOYSA-N 427.530 2.353 0 40 IEAB COC(=O)CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 72298142 MUKMJFFUBAWUQD-HNNXBMFYSA-N 440.452 2.391 0 40 IEAB CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)cc2)cc1 95959456 IMXUNBCCHWTCKC-GOSISDBHSA-N 438.527 2.245 0 40 IEAB CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)Nc4cccc(F)c4)cn23)C1 96156780 ZPVFFYDWRGHSFU-QGZVFWFLSA-N 425.468 2.091 0 40 IEAB C[C@]12CCC(=O)N1[C@H](C(=O)NCCN1C(=O)S/C(=C/c3ccc(F)cc3)C1=O)CS2 96544241 PFCKDYSBOWKATG-AGXRXXLASA-N 449.529 2.432 0 40 IEAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)CCn3ncc4ccccc4c3=O)cc2n1 100139123 FIKQLIMJCSZTMA-LJQANCHMSA-N 432.484 2.461 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCN(C)CC3)Oc3ccc(C)cc32)cc1 219403012 LDPPUHRKMYQABP-JOCHJYFZSA-N 443.569 2.470 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 223135162 LUNVTIWUXUXTEE-GOSISDBHSA-N 436.486 2.062 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223784871 HHQQBEUOFYLRCB-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O 224464874 QXZZRHGMXJQPTD-IBGZPJMESA-N 433.530 2.024 0 40 IEAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225589290 GCOPEFYVSYVFGN-FFZOFVMBSA-N 443.519 2.409 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)N[C@@H]3C[C@@H]4C(=O)Nc5ccccc5N4C3)n(C)n2)c1 225628441 SDTTVJLKNYSIBW-SPLOXXLWSA-N 447.495 2.434 0 40 IEAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccccc1Cn1ccnc1C 257343936 ZUZUGDNEBRIMGI-XMMPIXPASA-N 445.567 2.355 0 40 IEAB O=c1c2c(nc3n1CC1(CCN(Cc4cccs4)CC1)C3)CCN(c1ncccn1)C2 306129665 IJEILNGQLOWUEV-UHFFFAOYSA-N 434.569 2.496 0 40 IEAB COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(C(=O)CS(C)(=O)=O)C3)nn2c1 306144971 ZTROLTFGQKJIDO-HNNXBMFYSA-N 446.504 2.295 0 40 IEAB CCc1cnc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)s1 643550876 RDFRYYMDYQSOCH-HNNXBMFYSA-N 434.547 2.340 0 40 IEAB C[C@H](C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O 679776042 QFBDNDYITMEIKF-PXAZEXFGSA-N 445.397 2.390 0 40 IEAB O=C(NCc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 806104 GQAJDSJIUUEJKI-UHFFFAOYSA-N 430.313 2.339 0 40 IEAB CCN(C(=O)COC(=O)c1cccnc1Nc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 8685448 DXDACBMKUJGMNQ-CQSZACIVSA-N 435.477 2.157 0 40 IEAB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NCc1ccccn1)c1ccccc1 9974200 QWMTYAMJYIDTKU-WOJBJXKFSA-N 448.431 2.234 0 40 IEAB CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(C)c(C)c1 10385400 XDORNJSACMABIC-QGZVFWFLSA-N 443.548 2.472 0 40 IEAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)Nc1ccccc1 10688764 CVNPULFFGCSVSG-CRAIPNDOSA-N 432.498 2.328 0 40 IEAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)C1CCCC1 12523244 ZNYADWGCXVKOAQ-KRWDZBQOSA-N 437.562 2.427 0 40 IEAB CCCCNC(=O)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12783625 OEUOGOCMPUMRBJ-UHFFFAOYSA-N 428.489 2.296 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2Br)CC1 12785363 OGCHAZUIEIDZKN-UHFFFAOYSA-N 428.308 2.201 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 13549627 ZBPMIUVKHZVYJG-AWEZNQCLSA-N 437.543 2.288 0 40 IEAB O=S(=O)(c1ccc(F)c(Cl)c1)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13848629 QERKDOLVYCYYFY-UHFFFAOYSA-N 436.900 2.305 0 40 IEAB CCOC(=O)C1=C(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)NC(=O)NC1 19533566 GEEYBSRRGTUYQI-UHFFFAOYSA-N 447.845 2.006 0 40 IEAB Cc1nc([C@@H]2CCCN2C(=O)CN2CCOCC2)ncc1C(=O)Nc1ccc(F)cc1 19755055 OUJUVTKQGMUTDV-IBGZPJMESA-N 427.480 2.172 0 40 IEAB O=C(c1cc(Br)ccc1-n1cnnn1)N1CCN(Cc2ccccc2)CC1 20677001 KMXWFUJUFQLBPI-UHFFFAOYSA-N 427.306 2.383 0 40 IEAB CCCn1c(SCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CCC)n[nH]c1=O 21264896 HAQGXHDKUGMBES-UHFFFAOYSA-N 438.579 2.284 0 40 IEAB CC[C@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22335802 MNDCKEZSQOVQPS-SFHVURJKSA-N 442.534 2.263 0 40 IEAB COCCn1c(C)cc(O)c([C@H](c2ccccn2)N2CCN(c3ccccn3)CC2)c1=O 22697846 BUCGNBIUQDIBBV-QHCPKHFHSA-N 435.528 2.210 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 33558639 OXQSEUVYGVMQOZ-MFYHJKBNSA-N 442.946 2.412 0 40 IEAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)cc2c1 57589445 KPCKDYHXOQBFOJ-QFIPXVFZSA-N 430.512 2.417 0 40 IEAB O=C(Nc1cccc(CNC(=O)N2CCC[C@@H]2C(=O)NCC(F)(F)F)c1)[C@@H]1CCCO1 58218685 SDRPZKLEIIAPKG-CVEARBPZSA-N 442.438 2.157 0 40 IEAB CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(OCC(N)=O)cc2)CC1 58439605 BJQUVUDEOXOJBF-INIZCTEOSA-N 428.508 2.323 0 40 IEAB O=C(Cn1nc2c(cc1=O)CCCCC2)Nc1cccc(N2CCCCS2(=O)=O)c1 71280915 UUDOCIKYVHRXDH-UHFFFAOYSA-N 430.530 2.081 0 40 IEAB CC(C)N1CCC(NC(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 72327561 OFCXHOIIUXLJJG-XMMPIXPASA-N 427.545 2.392 0 40 IEAB NC(=O)c1ccccc1Oc1cccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1 79020043 XFUPRUJNMCYRIX-CTNGQTDRSA-N 431.448 2.291 0 40 IEAB COc1ccc(COCCCC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 89444064 IEHQIXRVNHOCMH-UHFFFAOYSA-N 425.529 2.457 0 40 IEAB O=C(CN1CCC[C@H]1Cn1cnc2ccccc21)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 89878672 AAQZMBVVXZQENZ-VQTJNVASSA-N 444.601 2.459 0 40 IEAB COCCN(Cc1cccs1)C(=O)CN1CCN(CC(=O)Nc2ccc(C)cc2)CC1 95381663 AREUDBKGTQGQEN-UHFFFAOYSA-N 444.601 2.288 0 40 IEAB CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 107108580 ZXRRVOCXLWHXJD-XMHGGMMESA-N 440.525 2.438 0 40 IEAB COc1cccc(N2CCN(C(=O)c3coc(NC(=O)Cc4c(C)noc4C)n3)CC2)c1 211073172 ARHUMBHAWYFPTC-UHFFFAOYSA-N 439.472 2.432 0 40 IEAB COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OC(C)C 225561822 YOPQGKNAIJEAKP-UHFFFAOYSA-N 448.541 2.433 0 40 IEAB CNC(=O)c1sc2nc([C@]3(C)CCCN(C(=O)C4CCN(C)CC4)C3)ccc2c1N 1848353185 QDHGPOVQILKNER-JOCHJYFZSA-N 429.590 2.460 0 40 IEAB CSc1nc(C2CCOCC2)cc(N2CCN(c3ccc4nnc(C)n4n3)CC2)n1 1888909595 IGNHOTLXFOPPFT-UHFFFAOYSA-N 426.550 2.165 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)C1 879125 PJNNYTISODUAQG-HNNXBMFYSA-N 426.502 2.335 0 40 IEAB Cc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 4115534 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447.557 2.058 0 40 IEAB O=C(Cc1ccc(OC(F)F)cc1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 23747233 KCCROWYWBVLGHN-UHFFFAOYSA-N 440.468 2.168 0 40 IEAB Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ncccn4)CC3)c2c1C 23936883 KJLGBINXCNLTDZ-UHFFFAOYSA-N 425.562 2.257 0 40 IEAB CS(=O)(=O)NCCCNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1 29369391 MIMAOTXEWCCHGZ-UHFFFAOYSA-N 439.331 2.349 0 40 IEAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(OC)c(Br)cc2OC)CC1 31903922 FKIMGCFONONBQY-UHFFFAOYSA-N 436.324 2.430 0 40 IEAB Cc1nc(SCC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(C(N)=O)c(C)c1C 32904982 HSLFTBLFCAJJNO-UHFFFAOYSA-N 448.570 2.277 0 40 IEAB NC(=O)CCN(C(=O)CN1CCN(C(=O)c2cccc(Cl)c2)CC1)c1ccccc1 32909588 FCFYTVCUACIXLB-UHFFFAOYSA-N 428.920 2.006 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 33548304 QQHOARSWSMHVFF-MFYHJKBNSA-N 442.946 2.412 0 40 IEAB O=C(Nc1ccc(-n2cccn2)nc1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 40120992 FYVOIUBTQMTDPV-UHFFFAOYSA-N 444.492 2.381 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2ccc(-n3cnnc3)cc2)NC(=O)N[C@@H]1c1ccccc1 58194708 BUHFZXNVSSHCDI-HXUWFJFHSA-N 447.451 2.295 0 40 IEAB CN(C)C[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 58203134 UAXYVLCSLOPKDG-HSZRJFAPSA-N 449.599 2.076 0 40 IEAB COc1ccc2c(c1)CCN(C(=O)CN1CC[C@@]3(CCC1=O)NC(=O)c1ccccc1N3)C2 72325973 TXFWJELEXBGRRW-RUZDIDTESA-N 448.523 2.144 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96025559 FHHHXZIHMVVBLF-ZDUSSCGKSA-N 429.541 2.162 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)c(OC)c1 101387266 XNLBAXWRHRTOHM-ROUUACIJSA-N 443.847 2.289 0 40 IEAB CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OCC 219988963 WPQXPUDKMKGMGH-UHFFFAOYSA-N 448.541 2.435 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)c1 223059893 DCUDBAJDUVDFGU-UHFFFAOYSA-N 448.476 2.492 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCn3ccnc3)C2)cc1Cl 408591006 IJJJMMQNPBEYCW-HNNXBMFYSA-N 440.953 2.152 0 40 IEAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cc1F 3235624 ORDZHYUMBXYAIU-UHFFFAOYSA-N 435.205 2.366 0 40 IEAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1nc2c(s1)CCCC2 3374787 AXLALRSOFYMELF-UHFFFAOYSA-N 427.573 2.286 0 40 IEAB COc1ccc(OC)c2c1cc(C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)n2C 8790317 PVEHSUFJPRIBJW-KSSFIOAISA-N 431.489 2.026 0 40 IEAB biogenic O=C(Cc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9414442 HAXQLUBDYXVNEV-UHFFFAOYSA-N 429.542 2.489 0 40 IEAB Cc1c(NC(=O)CCC(=O)NCc2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C 9553976 BNEKSPVQJSMPMN-UHFFFAOYSA-N 436.468 2.248 0 40 IEAB CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1 9754062 NRCKGFJBMQFSKN-UHFFFAOYSA-N 437.562 2.458 0 40 IEAB COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)cn23)n(C)c1=O 9829421 UWNUNTOHVHAXFL-LBPRGKRZSA-N 429.864 2.143 0 40 IEAB C[C@@H]1CN(C(=O)COC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@@H](C)O1 10072634 ZMAXRYXOOIAMLZ-HZPDHXFCSA-N 432.498 2.280 0 40 IEAB CCn1cc([C@H]2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)N(C)S(=O)(=O)N2)c(C)n1 12130315 LVWYOPZLHJYDGN-CVEARBPZSA-N 445.467 2.449 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnc(CN4CCCC4)o3)ccc21 12687745 ACLALFZZRKFIOM-UHFFFAOYSA-N 436.559 2.353 0 40 IEAB C[C@@H](OC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(C(N)=O)cc1 12907405 AYIPYSHOCHFCCM-XUSGNXJCSA-N 425.466 2.285 0 40 IEAB CCCCOc1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OCC 12907781 ALECGGSEPCPMKZ-LKUPDRCFSA-N 439.530 2.124 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)nc4ccccc34)CC2)cc1 13016221 PECQJJGZRMBHLI-UHFFFAOYSA-N 427.482 2.096 0 40 IEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@H](C)C(=O)N1CC(=O)Nc4ccccc41)(C3)C2 14245440 YSBQKHKGKFXLFO-GDDCAUNMSA-N 439.512 2.379 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc2)C[C@H](C)O1 22313268 PSCVZMZFXACLSU-HOTGVXAUSA-N 442.541 2.333 0 40 IEAB Cc1cccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1C 22341007 AOCVSNNWFIKXCT-MRXNPFEDSA-N 438.571 2.350 0 40 IEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)Nc3ccccc3N3CCCC3)CC2)C1 22923961 RHDOXCBGWMLJJS-NHCUHLMSSA-N 441.620 2.347 0 40 IEAB COc1cccc(C(=O)N2CCN(c3nnc(SCC(=O)NC(C)C)s3)CC2)c1 23141816 BMKCUNZZBPTXKH-UHFFFAOYSA-N 435.575 2.126 0 40 IEAB CCOc1cc2c(cc1CNC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)O[C@H](C)C2 24501597 ROPDAHUXQXPLEH-CYBMUJFWSA-N 444.484 2.220 0 40 IEAB CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1N1CCOCC1 30634389 UXCSMGAVQWQGHD-JOCHJYFZSA-N 449.555 2.399 0 40 IEAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 32808746 UQQDKLNKFWFVBQ-UHFFFAOYSA-N 439.516 2.305 0 40 IEAB C[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccc(S(N)(=O)=O)cc1 32971705 PCDWNHFNZNSYRH-AWEZNQCLSA-N 440.525 2.261 0 40 IEAB Cc1nc(-c2ccc(CC(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cs1 48300750 GYBUDZJDZRXEEJ-GJZGRUSLSA-N 437.587 2.216 0 40 IEAB COc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1 56997930 UMHGHYRHOKZDSH-UHFFFAOYSA-N 446.935 2.234 0 40 IEAB O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)NC[C@@H]1CCCO1 67318746 ZQUOFZGZZKQEHQ-HNNXBMFYSA-N 431.452 2.409 0 40 IEAB O=C(c1sc2ccccc2c1[C@@H]1CCN(S(=O)(=O)c2cn[nH]c2)C1)N1CCOCC1 72356242 WISMVBJGLQXZCK-CQSZACIVSA-N 446.554 2.275 0 40 IEAB CCOc1cccc(N(CC(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 219144545 YQOBFLDGHFHUMQ-UHFFFAOYSA-N 436.515 2.279 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222411716 YOKDUTQLHXUXDO-GOSISDBHSA-N 431.558 2.233 0 40 IEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222912747 JZINGCUZBXDVJI-IBGZPJMESA-N 445.585 2.293 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)ccc1OC 223851210 GNIOREBGASWCSW-UHFFFAOYSA-N 445.541 2.046 0 40 IEAB CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNS(=O)(=O)N4CCOCC4)CC3)n2n1 257211980 CBJXWUDHIFWCNU-QAQDUYKDSA-N 435.594 2.467 0 40 IEAB Cc1cc(=O)n(CC(=O)N2CCC[C@@H](CC(=O)NCCn3ccnc3)C2)c2c(C)cccc12 257336529 YOVXHRCQOQFSII-FQEVSTJZSA-N 449.555 2.260 0 40 IEAB O=C(O)Cc1ccc(O[C@@H]2CN(CC(=O)Nc3ccc(C(F)(F)F)cc3)C[C@H]2O)cc1 257337178 YRSWFAUKJCUOKP-QZTJIDSGSA-N 438.402 2.395 0 40 IEAB C[C@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 260947536 WGWTUXWSJCLOND-KBPBESRZSA-N 442.534 2.261 0 40 IEAB COCC(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 306129310 IALMERZZOMSVRM-DYESRHJHSA-N 431.562 2.220 0 40 IEAB CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 558482550 CDKDMEKYBSTIQJ-IBGZPJMESA-N 445.951 2.121 0 40 IEAB O=C1NCCN1[C@@H]1CCCN(S(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)C1 583534335 KVENMAAFGNLPJW-OAHLLOKOSA-N 427.486 2.068 0 40 IEAB Cc1cccc(C(=O)N2CC[C@]3(C2)c2cccn2-c2ncccc2N3CC(=O)N(C)C)n1 585107045 OYDSYKITNLHONR-DEOSSOPVSA-N 430.512 2.225 0 40 IEAB C[C@@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1cc(F)ccc1N1CCN(C)CC1 624646849 DEDSFGYWNGRZSK-MRXNPFEDSA-N 445.539 2.009 0 40 IEAB COCCOC(=O)c1c(NC(=O)CN2CCCc3ccccc32)sc(C(N)=O)c1C 3398253 XDHDGAQHKDQNDR-UHFFFAOYSA-N 431.514 2.350 0 40 IEAB COc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2OC)CS(=O)(=O)C3)cc1 8910339 FCNZPKFPFKNHCT-UHFFFAOYSA-N 443.481 2.335 0 40 IEAB N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1 8952566 VLUBABAGEKOXMU-RBBKRZOGSA-N 448.523 2.218 0 40 IEAB biogenic C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)C[C@@H](C)O1 9428022 QTFMUTWTGGVABQ-ZIAGYGMSSA-N 443.485 2.182 0 40 IEAB COc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(Cl)s3)CC2)c1 9469101 MLMNJWXOXRLNFV-UHFFFAOYSA-N 443.978 2.379 0 40 IEAB Cc1ccc(C)c(-c2nn(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c1 9477334 NFSOBHIONWHANE-QGZVFWFLSA-N 439.537 2.326 0 40 IEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)C1CCN(C(=O)C(C)(C)C)CC1 9645463 QCWJPZJIQACFTM-UHFFFAOYSA-N 440.518 2.231 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccccc4Cl)[C@H]3C2=O)cc1OC 9675542 JKHPCFOQJHXZNX-QZTJIDSGSA-N 443.847 2.289 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 9716285 UTFJYWPYRJKLDE-UHFFFAOYSA-N 445.522 2.411 0 40 IEAB Cc1ccc(Cn2c(=O)c3c(nc4n(CCCn5ccnc5)c(C)c(C)n34)n(C)c2=O)cc1 10233635 GYKZWTQEGYLMDA-UHFFFAOYSA-N 445.527 2.410 0 40 IEAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1 10233901 QBMBOWYIIAXWLL-UHFFFAOYSA-N 434.544 2.248 0 40 IEAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1 11858378 RDWURGBUCHNWHW-UHFFFAOYSA-N 435.527 2.154 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2)C1=O 11904896 CMIYQVIUGWUGOA-GFCCVEGCSA-N 428.919 2.131 0 40 IEAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@]1(CCCN(C(=O)c3c(C)noc3C)C1)O2 12087195 MKLWYUOKPZRCIE-OAQYLSRUSA-N 433.530 2.429 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 12321894 MMJBJYKRIRKMCQ-KKSFZXQISA-N 435.480 2.430 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(Cc3ccccc3)o1)C2=O 12584612 UZEVDJJQHWSYGH-UHFFFAOYSA-N 429.502 2.284 0 40 IEAB O=C(c1ccccc1OCc1ccc(F)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12942927 NVLGZNSNMRNKAH-LJQANCHMSA-N 432.517 2.350 0 40 IEAB O=C(CSc1nnc2n1CCCCC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 13028436 OOAFQFOZSWBGPG-UHFFFAOYSA-N 436.559 2.000 0 40 IEAB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@H]1c1ccc(OC)cc1OC 13570315 RUFBZEZATKKWKP-KRWDZBQOSA-N 448.501 2.412 0 40 IEAB O=C(CN(C(=O)[C@H]1CSC(=O)C1)c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 15935908 JRJUDMIGJQYVLU-CQSZACIVSA-N 430.457 2.484 0 40 IEAB CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(C)CC1 19499622 WYRUGUZFDOPNOT-IBGZPJMESA-N 425.537 2.005 0 40 IEAB CN1CCN(c2nccc(CN3C[C@@H]4[C@@H](CCC[C@@]4(O)c4ccc(F)cc4)C3)n2)CC1 19590145 UCOUXTFXVNJXJE-KUWBRRTOSA-N 425.552 2.487 0 40 IEAB Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 20635777 SXANLRVBZZCWJF-LBPRGKRZSA-N 437.287 2.267 0 40 IEAB O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(C[C@H]2CCCO2)CC1 23819757 JKJUYSIKJGKEGY-HXUWFJFHSA-N 429.542 2.424 0 40 IEAB CCn1nc(C)c2c(C(=O)N3CCN(S(C)(=O)=O)CC3)cc(-c3ccc(C)cc3)nc21 36613302 JGKHNRLQYJLVIO-UHFFFAOYSA-N 441.557 2.452 0 40 IEAB CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4[C@@H]3Sc3[nH]c(=O)sc3C4(C)C)[C@H]2C1=O 40210117 YMLJWSIWMJJMGD-NKVKSULBSA-N 436.555 2.165 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)Cn3nc(-c4ccccc4F)ccc3=O)ccc21 61718894 OCCXGSKSKUKHGA-UHFFFAOYSA-N 427.457 2.254 0 40 IEAB O=C1N[C@@]2(COC3(CCN(C(=O)CN4CCCCC4)CC3)C2)Nc2ccc(Cl)cc21 72325505 PPJKNPCLQASRPS-QFIPXVFZSA-N 432.952 2.459 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 72327073 KHNQLMYBHBBIAM-KLQLHJPASA-N 426.517 2.275 0 40 IEAB CS(=O)(=O)c1ccc2nc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)sc2c1 102883561 XCXNWYHQPHEEFS-CHWSQXEVSA-N 435.527 2.204 0 40 IEAB COc1cc(CNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc(OC)c1OC 224896975 YUVFSFWRUKRIGW-UHFFFAOYSA-N 444.535 2.027 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 257286510 PLWFOIIEDNVIBA-JAOIYPECSA-N 427.501 2.242 0 40 IEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408713233 PAYVTUITZGCGMQ-UHFFFAOYSA-N 430.313 2.499 0 40 IEAB COc1cc(C(=O)NC[C@H]2CC[C@@H]3CN(C(=O)NC(C)C)c4ccccc4CN23)on1 1565556789 WBOVUFUDNIRBDD-IAGOWNOFSA-N 427.505 2.384 0 40 IEAB O=C(OCc1ccccc1)N1CCN(S(=O)(=O)c2ccc(N3CC=CC3=O)cc2)CC1 1857793442 JRYXHVBDVSBARK-UHFFFAOYSA-N 441.509 2.233 0 40 IEAB CC(=O)Nc1cccc([C@@H]2CN(C3CCN(C(C)=O)CC3)C[C@]23CCCCC(=O)N3)c1 2037835090 XQLQDTQPXHWTCE-LADGPHEKSA-N 426.561 2.484 0 40 IEAB CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 678555 IBBXUMWEWWIKAS-DGCLKSJQSA-N 438.937 2.407 0 40 IEAB Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2C(=O)NC(C)(C)C2=O)c2cccc(C)c2)cc1 1250061 JSZOJJIBKRSVAC-GOSISDBHSA-N 445.541 2.190 0 40 IEAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 2642447 FHEAKFLOZRQRKH-IBGZPJMESA-N 435.267 2.498 0 40 IEAB NC(=O)COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)cc1 9130572 UIAYFEOAWYWAJN-AUSIDOKSSA-N 431.404 2.225 0 40 IEAB CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccco1 9435853 SUNCJOWYWGFBMH-FQEVSTJZSA-N 447.557 2.138 0 40 IEAB CC(=O)c1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1C)OCO2 9664901 GBRGZGFXBVLMII-UHFFFAOYSA-N 446.481 2.200 0 40 IEAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 9866243 YDDAPFKFSGDHRD-UHFFFAOYSA-N 448.479 2.462 0 40 IEAB O=C1C[C@H](C2CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)Oc2ccc(F)cc21 12154177 VRNQLELTXCBSAH-OAQYLSRUSA-N 440.475 2.339 0 40 IEAB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12528420 UQNDCMWUWXOVPC-UELRPHRMSA-N 425.466 2.466 0 40 IEAB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 12752480 NZJMAJNIZVBCJZ-MRXNPFEDSA-N 448.497 2.267 0 40 IEAB Cc1ccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1S(=O)(=O)N(C)C 12783036 AHCSBTLFOHUMLL-UHFFFAOYSA-N 444.488 2.491 0 40 IEAB Cc1nn(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c(=S)s1 12868938 QYSXGYLICWRALB-UHFFFAOYSA-N 442.588 2.108 0 40 IEAB COc1cc(OC)c2[nH]c(C(=O)N3CCN(CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)cc2c1 12906197 PGBWEFHDPLGRNT-IAGOWNOFSA-N 442.560 2.447 0 40 IEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12927632 KMYCLQMQEMXUQA-GJZGRUSLSA-N 440.452 2.390 0 40 IEAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@@H]1c1cccn1C 13163530 AYOFLHWGSDULHY-GHTZIAJQSA-N 430.574 2.084 0 40 IEAB CN1C(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2C1=O 14019137 KAPAKBVGJSKFOY-CYBMUJFWSA-N 445.472 2.091 0 40 IEAB CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@H]1c1ccccc1OC 15951959 WDFLFHIPLIXQGZ-IBGZPJMESA-N 430.482 2.340 0 40 IEAB Cc1cc(C)nc(N2CCN(C(=O)CCC(=O)Nc3nnc(CC(C)C)s3)CC2)n1 17248375 XIYKISAONTYRDU-UHFFFAOYSA-N 431.566 2.211 0 40 IEAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 18092097 IIDGVCWYEJUKDD-UHFFFAOYSA-N 447.488 2.226 0 40 IEAB C[C@@H](C(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1)N1CCCC1=O 19080410 VSJDHYPFMXDJKG-LBPRGKRZSA-N 432.406 2.437 0 40 IEAB CNc1nc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2F)nc2c1CN(C(C)=O)CC2 19710806 ZSEWCWXGAXSPRI-SFHVURJKSA-N 445.470 2.444 0 40 IEAB Cc1nc([C@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2Cc1cccc(F)c1 19740435 VFQDXTCOVDYYFN-GOSISDBHSA-N 447.536 2.347 0 40 IEAB Cc1cc(C(=O)NCC(=O)NCc2ccco2)cc(S(=O)(=O)N2CCC(C)CC2)c1C 24181220 TYZAIYVFFDSLAW-UHFFFAOYSA-N 447.557 2.363 0 40 IEAB C[C@H](OC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1ccccc1 32946847 XHSVQEDHVHQWQS-YJBOKZPZSA-N 432.498 2.328 0 40 IEAB O=C(NCCCN1CCCCC1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 44884618 XVTJOXMTKFCKOM-UHFFFAOYSA-N 425.570 2.360 0 40 IEAB COc1cn(CC(=O)NC2CCCC2)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 46053277 ADAPDGKRODIAAW-UHFFFAOYSA-N 442.535 2.377 0 40 IEAB C[C@@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21 57428231 PXUZYTYUVRIINI-CQSZACIVSA-N 441.509 2.403 0 40 IEAB COc1ccccc1N1CCN(C(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C)CC1 57521253 JRYFNQLPWCPJIT-UHFFFAOYSA-N 427.530 2.020 0 40 IEAB NC(=O)c1cc(CCOC(=O)[C@H](c2ccccc2)n2cccn2)c(C(F)(F)F)[nH]c1=O 69375549 HOSUAVWKAOROIC-HNNXBMFYSA-N 434.374 2.064 0 40 IEAB C[C@@H]1CN(c2ccc(NC(=O)N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)cc2F)C[C@@H](C)O1 72306256 VZDQJNAYQQPXAY-XDEPDNQISA-N 447.511 2.281 0 40 IEAB Cc1cc(C)n(CCCNC(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)n1 72327549 ITTANQMNXAGREF-XMMPIXPASA-N 438.528 2.423 0 40 IEAB CCN1CC[C@@]2(CN(CCOC)CC23CCN(C(=O)c2cc(F)cc(F)c2)CC3)C1=O 96144362 OPMXPMFQLFIUNF-HSZRJFAPSA-N 435.515 2.388 0 40 IEAB CC(C)Nc1nc(N2CCOCC2)nc2c1CN(S(=O)(=O)c1cccc(F)c1)CC2 96254289 PBXNUYXCEMLYOH-UHFFFAOYSA-N 435.525 2.020 0 40 IEAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 96506662 HILWJCZNHGOAEL-DEDYPNTBSA-N 446.467 2.054 0 40 IEAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)C1CCN(C(=O)C2CC2)CC1 96585729 UTBXWBQWBKKVRC-NBVRZTHBSA-N 427.526 2.488 0 40 IEAB O[C@H]1C[C@@H](SC2=N[C@@H](C(F)(F)F)C[C@@H](c3ccc4c(c3)OCO4)N2)[C@@H]2CO[C@@H]1O2 101670824 HWZQGAWBBFDJRA-XRHQITBWSA-N 432.420 2.345 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 102683512 IBVMBBMYHBTRJM-MRNSRZSKSA-N 432.517 2.306 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 223846832 UOGUZHBEZNTKKF-UHFFFAOYSA-N 446.481 2.360 0 40 IEAB CCOc1cc(CNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)ccc1OC 225783963 OUVCIGSOMFUJOI-UHFFFAOYSA-N 448.497 2.234 0 40 IEAB CC(=O)N1CCN(C(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Br)CC1 227159061 ZKEYXIQJUCQJRB-UHFFFAOYSA-N 435.322 2.483 0 40 IEAB COc1ccc(-c2noc(COC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)cc1OC 245267415 LPKOBWDGZAYSHR-NWANDNLSSA-N 441.440 2.137 0 40 IEAB CC(=O)NCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)CC3)C1 257215344 CPRSIFWPDPTODH-FQEVSTJZSA-N 449.555 2.149 0 40 IEAB Cc1ncc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCOCC3)C2)cn1 257282515 OUACAMFRXFUDQP-UWJYYQICSA-N 442.491 2.083 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)NCCNc2ncccc2C(F)(F)F)c(OC)c1 1185569035 IFLBVWJKJPJVPT-UHFFFAOYSA-N 433.408 2.286 0 40 IEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1C 3483746 FDSLYSDITQBLGU-UHFFFAOYSA-N 445.428 2.085 0 40 IEAB Cc1nn(C)c(C)c1NC(=O)CSc1nnc(N2CCOCC2)n1-c1ccccc1 8710820 CJTDHCXLVHPQMZ-UHFFFAOYSA-N 427.534 2.185 0 40 IEAB COCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 8815963 KNQRQVOHZNRGLV-QGZVFWFLSA-N 445.541 2.301 0 40 IEAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 9126074 PKTFDBZJJWHVKA-UHFFFAOYSA-N 438.435 2.192 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O 9514305 YAYNXEZEGKHQLT-QFIPXVFZSA-N 443.887 2.237 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 9792407 LDSFODRYQYNYJQ-XMMPIXPASA-N 435.480 2.200 0 40 IEAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(C(C)=O)cc3)n2)cc1 9844782 ASMCFXHPOKRXPC-UHFFFAOYSA-N 441.509 2.490 0 40 IEAB C[C@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(CCN4CCCCC4)c(=O)n3C)n2C1 10105148 FGFVNQFPCMIWNC-SFHVURJKSA-N 436.560 2.039 0 40 IEAB CCCC[C@H](CC)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 10385600 CLURLWPKPGPXPP-DLBZAZTESA-N 443.548 2.492 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)cc2C1=O 12391720 WNMPUJMGILQXFA-QGZVFWFLSA-N 447.495 2.382 0 40 IEAB COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3ccn(C)n3)nc12 12444350 LMOLXGHJUKINFT-UHFFFAOYSA-N 431.518 2.026 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 13039164 GUQGBFPWTXBJFR-UHFFFAOYSA-N 429.542 2.215 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 14070327 LNGSGWJSXCPGGZ-WOJBJXKFSA-N 447.557 2.395 0 40 IEAB Cn1nc(C(=O)N2C[C@H](c3ccc(CN4CCOCC4)cc3)[C@H]3CCCC[C@H]32)ccc1=O 19288505 IUIVLKSVDWGYIR-MQSCRBSSSA-N 436.556 2.411 0 40 IEAB CN1C[C@@H](C(=O)N2CCC([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)CC1=O 19587169 SUSXODIURCTLPR-PGRDOPGGSA-N 438.503 2.409 0 40 IEAB CNc1nc(C2CCN(C(=O)Cc3cccc(OC)c3)CC2)nc2c1CCN(C(C)=O)C2 19710951 WCBPJOHSXTWLRY-UHFFFAOYSA-N 437.544 2.380 0 40 IEAB COc1ccc(CN2CCN(C(=O)c3ccc(CN4C(=O)CCC4=O)cc3)CC2)cc1F 23738190 BSUPFTQQDVFXLG-UHFFFAOYSA-N 439.487 2.441 0 40 IEAB CN1N=C(C(=O)Nc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)CCC1=O 24754187 VAVUCCDVXMTRRE-UHFFFAOYSA-N 436.877 2.393 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)cc1 31066087 ITBHTGMMLRUVAI-CQSZACIVSA-N 428.441 2.247 0 40 IEAB CCn1c(Cc2ccc(Cl)cc2)nnc1[S@@](=O)CC(=O)Nc1ccc(C(N)=O)cc1 35683099 GABKXXPMFMFHQF-SSEXGKCCSA-N 445.932 2.387 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2c(C)cccc23)c1 35877537 NRVIXZWDGPUGHO-VHXYXCNASA-N 425.485 2.157 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 36447630 CLTQPYFLQJZFDR-UHFFFAOYSA-N 431.602 2.386 0 40 IEAB COc1ccc([C@H](C)NC(=O)CCn2nnc3ccccc3c2=O)cc1Cn1cccn1 84647792 CQVRJVVLCOCRIZ-INIZCTEOSA-N 432.484 2.312 0 40 IEAB O=C(Cn1nc2n(c1=O)CCN(Cc1cccc(F)c1)C2=O)Nc1cccc(Cl)c1 98213201 NZSHYKKXCKFOHP-UHFFFAOYSA-N 429.839 2.132 0 40 IEAB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C(=O)OC)cc3)CC2=O)cc1 138957281 OICGQIUGCKDGNT-MRXNPFEDSA-N 440.452 2.407 0 40 IEAB CCc1ccc(OCCNC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 223655353 UYWHVMWNHIPYHX-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCCN1CCCCC1 224072517 SWKZIKORSRQVDX-UHFFFAOYSA-N 437.606 2.405 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCC2)c1)c1ccc(F)cc1 224615945 AWCQLAFTYGIFDO-UHFFFAOYSA-N 448.564 2.351 0 40 IEAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@](O)(c2ccoc2)c2cccs2)c1 253473552 WJDQKXFDUNBORZ-IBGZPJMESA-N 437.495 2.351 0 40 IEAB Cc1nn(CC(C)C)cc1S(=O)(=O)N1CC[C@@H](c2n[nH]cc2-c2ccnc(N)c2)C1 257242484 ICTHCPBRJHJNNO-MRXNPFEDSA-N 429.550 2.393 0 40 IEAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccc(OCCCN)c3)C2)c2cnccc2n1 257280310 OKIWQYBVXYUUGE-RUZDIDTESA-N 449.555 2.379 0 40 IEAB CCOc1ccc(CN2CCc3nc([C@H]4CCN(C(C)=O)C4)nc(NC)c3C2)cc1CO 257282765 OVEUVIBCBDYSBP-SFHVURJKSA-N 439.560 2.303 0 40 IEAB CNc1nc([C@@H]2CCN(S(=O)(=O)c3cc(C)ccc3OC)C2)nc2c1CN(C)CC2 257310195 UEBZIFJLUXDRBR-OAHLLOKOSA-N 431.562 2.001 0 40 IEAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(OCCN)cc3)C2)c2cnccc2n1 257331068 XRGLWNQLNQEZJF-RUZDIDTESA-N 449.555 2.379 0 40 IEAB COc1ccccc1N1CCN(CC(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)C1=O 575607141 APAKNGCVJGERHM-INIZCTEOSA-N 445.907 2.451 0 40 IEAB COc1ccccc1OCC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585286874 RRFWNRBALBAGBB-QFIPXVFZSA-N 448.903 2.279 0 40 IEAB O=C1COc2ccccc2C[C@H](O)[C@H](O)CC2(CCN(C(=O)CCC3CCC3)CC2)CN1 643565926 LWYCHZMQGARDGW-LEWJYISDSA-N 444.572 2.039 0 40 IEAB O=C(OCn1nnc2ccccc2c1=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 3364687 HABPQXWOQSAPIF-UTKZUKDTSA-N 440.456 2.022 0 40 IEAB CSCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)COc2ccccc2)C1 4260271 YIHYOSJQRXQSAS-JKSUJKDBSA-N 427.526 2.175 0 40 IEAB biogenic,in-vitro COc1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)NCc3cccnc3)nn2)cc1 8254189 QCCOIFVXUGDRON-VWPQPMDRSA-N 432.528 2.376 0 40 IEAB biogenic,in-vitro CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1 8885227 WMRUHOQNSDNCJD-NRFANRHFSA-N 428.876 2.448 0 40 IEAB Cn1c(N)c(C(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)c(=O)n(C)c1=O 9126276 HQJCLCFYSNTLDX-UHFFFAOYSA-N 447.520 2.494 0 40 IEAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)C1CCC(Cn2nnc3ccccc3c2=O)CC1 9236190 BXOSLHOJVFPWDV-NGICGMGXSA-N 434.496 2.410 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3COc4ccccc4O3)c2)C[C@@H](C)O1 9783160 PQWRSSWBHXARSP-JFIYKMOQSA-N 446.525 2.054 0 40 IEAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(CC(=O)NC(C)(C)C)nc12 12117657 RRBREKNIWJVLLT-HOTGVXAUSA-N 440.548 2.060 0 40 IEAB COc1ccc(S(=O)(=O)CC(=O)N2CCCC[C@@H]2c2cc3nc(C)cc(O)n3n2)cc1 12161214 DMSNCAXLRLROJE-GOSISDBHSA-N 444.513 2.279 0 40 IEAB C[C@@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CC1 12642858 ATOYAMUCSJBORR-JPJDGNMPSA-N 449.551 2.065 0 40 IEAB NC(=O)c1cnc(NC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)s1 12758193 ZGQMMNNNVFWYQJ-UHFFFAOYSA-N 442.522 2.241 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2cccc(OCc3c(C)noc3C)c2)NC(=O)NC1 12978662 GJQBBKXMTCMAJF-UHFFFAOYSA-N 429.429 2.157 0 40 IEAB CCN(C(=O)COc1ccccc1C(=O)NCc1ccccc1)[C@H]1CCS(=O)(=O)C1 13117258 ZKQYBFKPRSMBDS-SFHVURJKSA-N 430.526 2.031 0 40 IEAB O=C(Cn1[nH]c(=O)c2ccccc2c1=O)N1CCN(Cc2cccc3ccccc23)CC1 13128826 FOGSCMGTQXTAEQ-UHFFFAOYSA-N 428.492 2.187 0 40 IEAB COc1cccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)c1 13151095 GDEFMEDZXLRHTD-KRWDZBQOSA-N 446.529 2.199 0 40 IEAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 13159237 RAOIAEQCRACENL-CQSZACIVSA-N 434.470 2.072 0 40 IEAB CCn1nnn(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c1=S 14231014 RNQAVKAPPXIFDR-UHFFFAOYSA-N 437.378 2.100 0 40 IEAB Cc1cc(F)ccc1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 14785968 QWXSWBGBXZIMKK-UHFFFAOYSA-N 445.472 2.249 0 40 IEAB COc1ccc(Cn2nccc2NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1 18234877 CMKVHNXLNLZYMD-UHFFFAOYSA-N 444.513 2.451 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 18891819 HDBJKZMRMZHCND-MRXNPFEDSA-N 446.525 2.278 0 40 IEAB Cc1c(S(=O)(=O)N2CCC(c3n[nH]cc3C(=O)N(C)C3CCCCC3)CC2)cnn1C 19553848 NNLRMNRDXVQAHM-UHFFFAOYSA-N 448.593 2.425 0 40 IEAB CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)nc2c1CN(C)CC2 19710434 MWIKZRVSPKGRCY-LJQANCHMSA-N 431.562 2.431 0 40 IEAB CNC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)s1 23141740 AALFEJJBUOSANW-UHFFFAOYSA-N 435.575 2.126 0 40 IEAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1cn2ccccc2n1 28833129 XSWUIZUEMNRCLC-UHFFFAOYSA-N 437.319 2.082 0 40 IEAB CCCn1c(N)c(C(=O)CSc2nc(NC3CC3)c3ccccc3n2)c(=O)[nH]c1=O 31784721 FVNABCONFNHUKM-UHFFFAOYSA-N 426.502 2.021 0 40 IEAB C[C@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 32689190 FFHDZCMCBAVKCY-ZFWWWQNUSA-N 441.488 2.028 0 40 IEAB O=C(C[C@@H]1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1F 39964046 FUEDFIVRNHUBGL-HXUWFJFHSA-N 437.475 2.424 0 40 IEAB COc1cc(CC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)cc(OC)c1OC 40157929 KFJOGUGMRFBFBI-SFHVURJKSA-N 427.501 2.343 0 40 IEAB COc1cccc(CNC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)c1OC 57506602 WZNRXOUAUUUQNO-UHFFFAOYSA-N 448.523 2.448 0 40 IEAB Cc1nc(C2CCN(C(=O)[C@H](C)Cn3ccnc3C)CC2)nc(N2CCOCC2)c1C 72337189 CXJNLLJBVGCVKS-MRXNPFEDSA-N 426.565 2.477 0 40 IEAB Cc1nc2nc(-c3ccc(NC(=O)C4CCN(S(C)(=O)=O)CC4)cc3)cn2nc1C 72373387 FOTATHHQGGNDHN-UHFFFAOYSA-N 428.518 2.018 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1 77200937 NFWNZIMUPMGXEB-UHFFFAOYSA-N 434.489 2.443 0 40 IEAB O=C(CNc1cccnc1-c1ccco1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 95460351 CUWBENHQXZJGRW-UHFFFAOYSA-N 442.497 2.413 0 40 IEAB CSc1ccc(S(=O)(=O)N2C(=O)CNc3ccccc32)cc1C(=O)N1CCOCC1 98087217 UTJWBQXTQGNTJV-UHFFFAOYSA-N 447.538 2.028 0 40 IEAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCC(c3nnsc3S(C)(=O)=O)CC1)CC2=O 100734633 QLSWUJKLFDNFJP-RTBURBONSA-N 425.576 2.433 0 40 IEAB CCc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@H]32)cc1 101169897 GYAWGVNLMMLQEQ-PMACEKPBSA-N 437.456 2.198 0 40 IEAB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 113872723 FTAYAYALJNMIDL-UHFFFAOYSA-N 436.486 2.421 0 40 IEAB C[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1F)S(C)(=O)=O 113957743 LXXYHOFWAZRHJC-INIZCTEOSA-N 434.537 2.371 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 206847523 XEGXHJCILHFTMS-CYBMUJFWSA-N 435.483 2.372 0 40 IEAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)c1 217658573 PFYVNVXCNKUVHM-LJQANCHMSA-N 439.541 2.396 0 40 IEAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222414706 CWXHEDMZPFTJOC-INIZCTEOSA-N 435.521 2.063 0 40 IEAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC)S(C)(=O)=O 222601353 FSXBWVBCPYEKCA-INIZCTEOSA-N 449.548 2.317 0 40 IEAB COc1ccc(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1C 225294520 PMSAMJFTTNKFRL-UHFFFAOYSA-N 434.514 2.214 0 40 IEAB CC(=O)N1CCC(C(=O)N2CCC(COc3cccc(Cl)c3)(CC(N)=O)CC2)CC1 257240286 HSWOITWFXFVLDM-UHFFFAOYSA-N 435.952 2.462 0 40 IEAB COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc2O1 260746534 SIRZTYUPMPDMIF-OXJNMPFZSA-N 444.509 2.055 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1cc(C(=O)OC)ccc1C)c1ccc2c(c1)OCCO2 408702893 JTHIPBLFSVDWCH-UHFFFAOYSA-N 448.497 2.348 0 40 IEAB C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)CC1(C)C 1693699167 HSISZWQVNIDYHW-MRXNPFEDSA-N 437.610 2.211 0 40 IEAB O=C1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)n2nccc2N1Cc1ccncc1 1772596419 GHJSJHHGLSLTAP-UHFFFAOYSA-N 437.525 2.395 0 40 IEAB CN(C(=O)CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 9253250 AGQWVDMCQVCPOC-HRYODUOUSA-N 428.919 2.022 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc3ccc(Cl)cc3n2CCO)cc1 9285051 XOBKVTLQKDUYLJ-UHFFFAOYSA-N 437.905 2.289 0 40 IEAB O=C([C@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c2ccccc2O1)N1CCOCC1 9477387 TWKWTTFUKXYRPN-WOJBJXKFSA-N 428.872 2.297 0 40 IEAB Nc1nc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)n[nH]1 9585350 HHQYLZLICGXTNR-UHFFFAOYSA-N 444.970 2.336 0 40 IEAB COC(=O)N1CCc2c(sc(NC(=O)c3cc4ccccc4oc3=O)c2C(N)=O)C1 9762044 JSUIPCRJFIHUOK-UHFFFAOYSA-N 427.438 2.330 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2cccs2)c(C)c1 9806348 NLENMLMPHXWBDM-QGZVFWFLSA-N 449.598 2.259 0 40 IEAB CN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 9980658 ZLOQYWZEFUADED-ZDUSSCGKSA-N 426.589 2.003 0 40 IEAB COc1cc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(F)cc4)c3n2)cc(OC)c1OC 12080833 YCHPWPFXKBFEDE-UHFFFAOYSA-N 439.403 2.040 0 40 IEAB CCOc1ccc(NC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)N1CCCC1 12700202 FDEYVAAUDUXGTL-UHFFFAOYSA-N 437.543 2.300 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1 12992251 XESLITDKNWRABW-UHFFFAOYSA-N 426.498 2.028 0 40 IEAB Cc1ccc(CCC2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 13020253 IJAKITCBQLJRFO-RTWAWAEBSA-N 432.586 2.202 0 40 IEAB COc1cc2cc(C(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)[nH]c2c(OC)c1OC 13692359 QMQQFAHGJAQMNC-UHFFFAOYSA-N 441.440 2.333 0 40 IEAB CSc1ccc([C@@H]2N=C3NCN(N4CCN(C)CC4)CN3c3nc4ccccc4n32)cc1 19172407 JBXBAODMLLSXJK-OAQYLSRUSA-N 448.600 2.464 0 40 IEAB O=C(c1cccnc1)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337719 TZISWHGLIGPFTE-HXUWFJFHSA-N 444.495 2.126 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccc(F)cc3)CC1)C2=O 19699358 CZZAWLJUAHPHSA-UHFFFAOYSA-N 430.524 2.156 0 40 IEAB CNc1nc([C@H]2CCCCN2C(=O)CN2CCC(C)CC2)nc2c1CCN(C(C)=O)C2 19708494 LZAAHOHHXOLDIC-HXUWFJFHSA-N 428.581 2.208 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)c4c[nH]nc4C)C3)nc2C)c1 19758265 MTRGSCIIHUPPIL-QGZVFWFLSA-N 434.500 2.385 0 40 IEAB O=C(O)CCC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 20150123 CVDBZLDMVPLQGZ-MRXNPFEDSA-N 442.399 2.080 0 40 IEAB Cc1nc2sc3c(c2c2nc(C(=O)NCCCN4CCOCC4)nn12)C[C@H](C)CC3 20503852 QSPCRDRJIHEIJM-CYBMUJFWSA-N 428.562 2.224 0 40 IEAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 22798906 IBFHOUHZTKDFCB-FQEVSTJZSA-N 436.556 2.157 0 40 IEAB COc1ccc([C@@H](NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)C(C)C)cc1 22813191 PZAWZDRDTQHLQE-DEOSSOPVSA-N 430.593 2.139 0 40 IEAB C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccccc1F 23996555 RMZHNCJMBGMYAA-HNNXBMFYSA-N 435.521 2.404 0 40 IEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cccc(F)c1 25702586 SVBVHRAYWZJDPE-UHFFFAOYSA-N 448.447 2.201 0 40 IEAB COc1ccc(CSc2nnc(Nc3ccc(OC)c(OC)c3)c(=O)n2N)cc1OC 28535895 ILJVBQHHLNSOTD-UHFFFAOYSA-N 445.501 2.422 0 40 IEAB COc1ccc(CNC(=O)CCn2cnc3cc(OC)c(OC)cc3c2=O)cc1OC 32124095 IHKYEEBIBUCOGJ-UHFFFAOYSA-N 427.457 2.137 0 40 IEAB biogenic CS(=O)(=O)N1CCN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 32490617 GEPPYNVHEWPJQG-FQEVSTJZSA-N 440.512 2.009 0 40 IEAB COCCNC(=O)c1c(NC(=O)c2cccc(-n3cnnn3)c2)sc2c1CCCC2 32622291 XSCZKDJJXWOJNA-UHFFFAOYSA-N 426.502 2.231 0 40 IEAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)n1 36354913 ISCLOVJFTWXHKE-CQSZACIVSA-N 434.543 2.228 0 40 IEAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1 48374507 MHAUXZRXFGLDRR-UHFFFAOYSA-N 443.356 2.444 0 40 IEAB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCCN(Cc3cn4cc(Cl)ccc4n3)CC1)CS2 72292934 YLLGNBZSWWZMGK-UTKZUKDTSA-N 447.992 2.476 0 40 IEAB O=C(/C=C/c1ccc(I)o1)NCc1cccnc1N1CCOCC1 84357827 DGVQUNWNWQUQNZ-GQCTYLIASA-N 439.253 2.445 0 40 IEAB COCCOc1c(Cl)cccc1NC(=O)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 95971982 GIAJTMFXLLGWCR-OAHLLOKOSA-N 445.969 2.138 0 40 IEAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)O1 96263183 CWHAHBFZYRTCND-HXUWFJFHSA-N 440.544 2.219 0 40 IEAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1C(=O)c1cccc(N2CCCCS2(=O)=O)c1 100219929 UXQBGQOXMAUQJB-QZTJIDSGSA-N 442.541 2.193 0 40 IEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 100753467 DNVXWLARJMJMGJ-HOTGVXAUSA-N 436.434 2.090 0 40 IEAB CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)CC2)cc1 102404997 SDEYBRLBUGGYPZ-QIJZPMMNSA-N 446.569 2.385 0 40 IEAB COc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 106279084 GUXPXNAGLNMAKH-UHFFFAOYSA-N 432.542 2.432 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 223943711 AZJDPLKTJXQKLH-UHFFFAOYSA-N 430.935 2.044 0 40 IEAB CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@@H]21 257212542 CDXPIWNZGUAZCS-ZSRRYNJHSA-N 429.561 2.393 0 40 IEAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3cc(-c4ccccc4F)no3)CC2)OC[C@]1(C)O 257343233 ZSASTZYUWOFPTK-FPOVZHCZSA-N 431.464 2.132 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ccccc2F)CC1 408590457 HIHOOXRKXZSLBL-INIZCTEOSA-N 435.521 2.158 0 40 IEAB COc1cccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1O[C@@H](C)C(=O)O 409232126 NFWIWTPDMJKBJV-RERGGYADSA-N 439.424 2.079 0 40 IEAB COc1ccc2c(c1)[C@H]1C[C@@](C)(NC(=O)[C@@H]1S(=O)(=O)c1cc(OC)ccc1OC)O2 575617045 VZERIKRGSHUVAS-VMRPVKRXSA-N 433.482 2.267 0 40 IEAB O=C1NCCN1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 585268842 SRQXONCKSOYYBV-SFTDATJTSA-N 431.920 2.368 0 40 IEAB CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2O)CC1 1540672760 ZVCWKQQZENUZGW-OAHLLOKOSA-N 440.548 2.215 0 40 IEAB CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)c3cccn(C)c3=O)N2Cc2ccccc21 1565556795 WEUMIPASXYGJFA-OALUTQOASA-N 437.544 2.086 0 40 IEAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)Cc3noc4ccccc34)C2)C1 2055835352 JLJRVIYHIUOWPU-QHCPKHFHSA-N 433.468 2.219 0 40 IEAB COCCn1c(S)nc2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1=O 3051743 OIVBSYHOGNWSHN-UHFFFAOYSA-N 442.516 2.433 0 40 IEAB COCCn1c(C)cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc12 6444621 OQBIIKMHINBGFG-UHFFFAOYSA-N 436.299 2.459 0 40 IEAB C[C@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc2c(c1)OCO2 8745758 YFHAYDSGSQPERL-SCLBCKFNSA-N 434.452 2.237 0 40 IEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nncn1-c1ccccc1OC 8775691 NQUSNWCSMKOKBZ-MRXNPFEDSA-N 426.498 2.269 0 40 IEAB CCCN(CC(=O)N1CCN(c2ncccn2)CC1)Cc1nnc(-c2cccs2)o1 8945295 VWFMGNGTTDSDRQ-UHFFFAOYSA-N 427.534 2.149 0 40 IEAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C(=O)NC1CC1 9050665 PQOGAZQPJPNOCD-OAHLLOKOSA-N 428.510 2.258 0 40 IEAB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(Br)cc1)C1=C(COC1=O)N2 9169284 CYTPOAROELNUDJ-CYBMUJFWSA-N 432.274 2.323 0 40 IEAB Cn1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 11666159 NBGHQWAPDSMPRB-UHFFFAOYSA-N 433.512 2.150 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccc(OC)cc2)c2c(C(N)=O)nc(-c3ccsc3)nc21 12236936 KAIZAVWQYXHUFO-UHFFFAOYSA-N 437.481 2.332 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CC1 12548053 RFYGBHUWCRWBEW-VMPITWQZSA-N 441.513 2.023 0 40 IEAB CCOCCCn1c(S[C@H](C)C(=O)NC(=O)NC)nc2cc(Cl)ccc2c1=O 12848960 BZKJOXPAGNPVJW-LLVKDONJSA-N 426.926 2.413 0 40 IEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)Cc2ccc3c(c2)OCCO3)c(=O)[nH]c1=O 12901419 FKWZALDTXXSFDT-UHFFFAOYSA-N 444.532 2.312 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccc2c(c1)OCO2 13144333 GUWOCYFDIPQKFN-UHFFFAOYSA-N 445.497 2.056 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CN3CCOCC3)[C@@H]2c2ccccc2)cc1 13879999 KUVCSDDKBGSFQS-QHCPKHFHSA-N 443.569 2.249 0 40 IEAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 14021082 JUNKKELMRCSPBX-QGZVFWFLSA-N 429.473 2.101 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(N4CCCC4=O)cc3)CC2)s1 16146766 YBRHCPHEVDBQSJ-UHFFFAOYSA-N 447.582 2.259 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)NC[C@@H]3CCCO3)c12 16993001 AYJOUYUJBIHTSG-GJZGRUSLSA-N 444.513 2.268 0 40 IEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 17968319 IOMLNTLCXGTEDU-RTBURBONSA-N 445.541 2.141 0 40 IEAB Cc1ccc2cc(C)c3nn(CCNC(=O)[C@H]4CSC(c5ccncc5)=N4)c(=O)n3c2c1 19234281 SMZABUGNZYZOMR-GOSISDBHSA-N 446.536 2.339 0 40 IEAB CC(=O)N1Cc2ccccc2O[C@]2(CCCN(C(=O)[C@H](C)Cn3nc(C)nc3C)C2)C1 19285865 NWQFMHQRGZGYAG-MWTRTKDXSA-N 425.533 2.333 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3CCCC(C)(C)C3)CC1)O2 19461201 FZPCROAFFOZLNC-XMMPIXPASA-N 443.544 2.217 0 40 IEAB CNc1nc([C@H]2CCCN(CC(=O)N(C)C3CCCCC3)C2)nc2c1CN(C(C)=O)CC2 19710442 LBRIVERSYHGOQE-SFHVURJKSA-N 442.608 2.393 0 40 IEAB COc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C)CC2)c(OC)c1 20121125 BQTLMDKFTZLUQJ-NRFANRHFSA-N 426.496 2.215 0 40 IEAB Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 20613993 XOLAXRCLLNCPQR-IBGZPJMESA-N 425.485 2.160 0 40 IEAB O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCN(Cc2ccccc2)CC1 21005500 YLVDSDSKDOGSKE-NRFANRHFSA-N 443.569 2.102 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c3s2)CC1 21886387 OKPCCKNBCDFZMD-UHFFFAOYSA-N 432.937 2.287 0 40 IEAB CCOC(=O)c1c(NC(=O)CNC[C@H](c2ccccc2)N(C)C)sc(C(N)=O)c1C 22039353 MLJVUXCQHPKJSQ-OAHLLOKOSA-N 432.546 2.163 0 40 IEAB O=C(CN(CCN1CCOCC1)CC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 22789160 FDLFCMLOELKLSG-UHFFFAOYSA-N 432.471 2.176 0 40 IEAB CCc1ccccc1NC(=O)CN1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 22919582 XFDGXXDQNZBYIH-UHFFFAOYSA-N 441.576 2.263 0 40 IEAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1c1ccccc1 25461481 SBYJDWPPHNNMSW-JOCHJYFZSA-N 449.532 2.478 0 40 IEAB O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2ccc(F)cc2)N1CCN1CCOCC1 27061385 PNBVAMVTDGOGIT-DEOSSOPVSA-N 434.515 2.388 0 40 IEAB C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)NC1CCN(Cc2ccccc2)CC1 27944153 QGPRDZZTAPXWPR-VQIMIIECSA-N 430.578 2.114 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1Cc1cc(=O)n2cccc(C)c2n1 28721880 CCWSLRXLILSGIX-QHCPKHFHSA-N 442.523 2.479 0 40 IEAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)c1 31065161 GWRMPTLUOGGPJZ-RDJZCZTQSA-N 426.469 2.477 0 40 IEAB Cc1cccc(C(=O)N2CCC(O)CC2)c1NCc1nnc2n(C)c(=O)c3ccccc3n12 32927152 KTFJBEQLJQCDNI-UHFFFAOYSA-N 446.511 2.099 0 40 IEAB CCCCN(C(=O)CN(C1CC1)[C@H](C)c1ccccn1)c1c(N)n(CCC)c(=O)[nH]c1=O 40158633 JTIMTSINWFUJKE-MRXNPFEDSA-N 442.564 2.283 0 40 IEAB COCCCn1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2n[nH]c(=O)c-2c1 42380754 ORGCBKVALUYXPP-UHFFFAOYSA-N 429.908 2.329 0 40 IEAB CN1Cc2cccc(C(=O)N3CCC4(CC3)C[C@]3(CO4)NC(=O)c4ccccc4N3)c2C1=O 72325247 IEKZBCAVZSAEPD-RUZDIDTESA-N 446.507 2.219 0 40 IEAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 72399042 XMBKWGXXLBEIOA-ILXRZTDVSA-N 426.542 2.392 0 40 IEAB CCCC(=O)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)C[C@H]4CCCO4)nn3c2O)C1 100234977 BOHYAOZEFSRGKX-DNVCBOLYSA-N 441.532 2.352 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cc(C)ccc4C)[C@H]3C2=O)cc1OC 101169873 UAQWPEKOMDLDOH-VQTJNVASSA-N 437.456 2.253 0 40 IEAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 103519796 JSLUOVFOJJMTGM-MXEMCNAFSA-N 431.448 2.301 0 40 IEAB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCCO)cc1Cl 108012907 YYJZUKUQDDFVKP-UHFFFAOYSA-N 440.949 2.081 0 40 IEAB NC(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 223008066 PRFUBCAVBLKKAZ-UHFFFAOYSA-N 437.890 2.344 0 40 IEAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226402459 IRNJOXDPFSPIHX-JUDQQAKESA-N 440.471 2.385 0 40 IEAB O=C(C[C@@H]1CCCN(C(=O)CCC2=NNC(=O)CC2)C1)NCc1ccc2c(c1)CCCO2 257281021 ONIHJCDEULYJQY-SFHVURJKSA-N 440.544 2.303 0 40 IEAB CC1(C)Oc2ccc(C(=O)N3CCC([C@@H]4NC(=O)N[C@H]5OCCC[C@H]54)CC3)cc2NC1=O 257311592 UKGBKPNQYRGLEE-SNRMKQJTSA-N 442.516 2.082 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)CC[C@H]1NC(=O)N(Cc3ccco3)C1=O)CC2 504485440 BUGWMIGWNDPHKN-QGZVFWFLSA-N 427.457 2.082 0 40 IEAB biogenic CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCC[C@@H]4C(=O)N4C[C@@H]5C[C@H]6C[C@H]5[C@@H]4[C@@H]6OC)[C@@H]1[C@H]3C2 553324218 GMSJEEKRUSNIFB-YZVQIBIGSA-N 428.573 2.166 0 40 IEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ncc[nH]3)[C@@H]21 604404931 JLRVTDUHKASOJZ-LJQANCHMSA-N 433.424 2.180 0 40 IEAB biogenic COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)c2cccnc12 614750675 MRJHWLKNXNOLGJ-UHFFFAOYSA-N 429.454 2.249 0 40 IEAB CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 1655729516 AIZRMDRYRIGHPA-PMPSAXMXSA-N 445.582 2.121 0 40 IEAB COc1cc(=O)n(C)cc1C(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888906861 VYSHAAZGOBEYKD-HDICACEKSA-N 431.496 2.059 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)cc1 2661754 UQWZAUSUFHEGIS-UHFFFAOYSA-N 437.275 2.057 0 40 IEAB COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccccc3)n2)cc1 7060764 AIKBYHYNBUHMGE-UHFFFAOYSA-N 448.527 2.436 0 40 IEAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 8736041 TZOUHWWPXQUNCX-MRXNPFEDSA-N 440.521 2.030 0 40 IEAB CC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Br)cc2)n(C)c1=O 9156919 GPNZGMLXUIDHAX-NSHDSACASA-N 446.305 2.036 0 40 IEAB COCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)cc1 9238867 BEMXAHSIBSTORR-MSOLQXFVSA-N 425.514 2.475 0 40 IEAB Cc1c(CC(=O)N(C)C[C@@H](O)CO)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 9305158 UBNRLEFUCPPZBO-QGZVFWFLSA-N 429.513 2.483 0 40 IEAB O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@@H]1C(c2ccc(OCc4ccccc4)cc2)=NO[C@H]31 9448926 UEWWZVSNBVXJIG-VDKRJKRFSA-N 446.459 2.320 0 40 IEAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9644223 ODQSAKJAHRZKJS-UHFFFAOYSA-N 436.917 2.399 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(F)c2)c1 9807275 USRVABBUCOAXDZ-SFHVURJKSA-N 433.505 2.351 0 40 IEAB Cc1nc2cc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)ccc2n1-c1ccccc1 12531304 YZSCFWQXSYTDQU-FQEVSTJZSA-N 438.553 2.279 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)c1 12877149 SQIHNWWFWGPDCL-JSGCOSHPSA-N 436.461 2.266 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)C[C@@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O 12903237 MIXFYMUZPCPJMC-INIZCTEOSA-N 428.489 2.210 0 40 IEAB Cc1csc(N(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c2ccccc2)n1 12980739 WFQFAABGNMNREM-UHFFFAOYSA-N 444.904 2.217 0 40 IEAB COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)ccc1C 13001673 YNMRBGULHFPFFK-UHFFFAOYSA-N 446.525 2.312 0 40 IEAB C[C@@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)N3CCOCC3)nc3ccccc32)C1 13082966 MYTWADKBEWJBIR-IAGOWNOFSA-N 430.574 2.492 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 13568374 JXWDAKZVXMLDPB-UHFFFAOYSA-N 439.484 2.088 0 40 IEAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCCN2CCN(C)CC2)ccc1C 22933442 YFEDOYZTSLHAKR-UHFFFAOYSA-N 444.601 2.472 0 40 IEAB COc1ccc(Cl)cc1NC(=O)C(=O)NCC(=O)N1CCO[C@@H](c2ccccc2)C1 23127899 BCJDAWKTAKXSPI-GOSISDBHSA-N 431.876 2.003 0 40 IEAB CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 24606156 NZFMZORIZMOFTF-UHFFFAOYSA-N 445.541 2.159 0 40 IEAB Cc1c(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c(=O)n(-c2ccccc2)n1C 25375069 NQYGOVYYEPSQNC-UHFFFAOYSA-N 425.489 2.068 0 40 IEAB COc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1S(=O)(=O)NC(C)(C)C 26912291 YLOYXTPHNIAIHN-UHFFFAOYSA-N 434.514 2.473 0 40 IEAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 32738649 GMMUVYCKKICHPM-LBPRGKRZSA-N 433.461 2.167 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CC)n1 40283861 IDNPKGLRRAUUEQ-NRFANRHFSA-N 442.497 2.186 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 44904526 QICFHHOJIRPVBN-UHFFFAOYSA-N 445.541 2.241 0 40 IEAB O=C(CCNC(=O)[C@H](Sc1ccccc1)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 48250709 MMZWXAPRXHFHQI-YLJYHZDGSA-N 432.567 2.330 0 40 IEAB Cn1c(=O)c(C(=O)CN2CC=C(c3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O 58159687 KEZIIIDGAYYLFR-UHFFFAOYSA-N 430.508 2.150 0 40 IEAB Cc1ccc(NC(=O)c2cccc(Br)n2)cc1S(=O)(=O)N1CCOCC1 89651261 SXIGKWPUGNDLMK-UHFFFAOYSA-N 440.319 2.426 0 40 IEAB COc1cccc([C@@H](CNc2ncc(Br)cc2S(N)(=O)=O)N(C)C)c1 95430927 DJCMBECPMNAXEC-CQSZACIVSA-N 429.340 2.215 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3C[C@H]3C3CCCCC3)cc2)CC1 96014079 AEKMDMWPNDMKNY-IRLDBZIGSA-N 447.601 2.486 0 40 IEAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cnc(N(C)C)nc2)C3)c(OCC)n1 100149729 DGYFJUAVOVOJAD-ROUUACIJSA-N 442.564 2.250 0 40 IEAB O=C(NCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1)c1ccco1 100181011 YTBGLJWCUWYCOV-ANXRINLSSA-N 437.496 2.471 0 40 IEAB COCCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(S(N)(=O)=O)ccc21 100873023 RJPOEPOWZHPPGP-FXBPSFAMSA-N 427.454 2.016 0 40 IEAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 103466515 SJQXXJXXLMEDFO-UEXGIBASSA-N 449.507 2.308 0 40 IEAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1 219990168 IUHQDLWZRTWLMS-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB C[C@@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223878780 XNABWBORBULLQH-GFCCVEGCSA-N 446.497 2.012 0 40 IEAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 225264487 RXZBVWXIWDLMKB-IBGZPJMESA-N 448.516 2.324 0 40 IEAB Cc1ccc(N2C(=O)[C@@H]3CN[C@]4(C(=O)Nc5ccc(Br)cc54)[C@H]3C2=O)cc1 245229505 ZWGQGNLBFCJSOG-AUJRIZCKSA-N 426.270 2.314 0 40 IEAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)O)CC1 252694368 JUZONQPLLGKSSF-FPCVCCKLSA-N 427.542 2.048 0 40 IEAB biogenic CN1CCN([C@H]2CC[C@](CNC(=O)c3cncs3)(c3ccccc3)CC[C@@H]2O)CC1 257334783 YHJQSDAGUHSPNA-JTAQYXEDSA-N 428.602 2.362 0 40 IEAB Cc1ccc(CN2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)s1 306127103 FOKLNWZOKSAIPA-HXUWFJFHSA-N 429.571 2.136 0 40 IEAB C[C@H](Oc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C(=O)N1CCOCC1 408600392 ANHILKHOVNLMGB-KRWDZBQOSA-N 430.526 2.060 0 40 IEAB Cc1nnc2ccc(N3C[C@H]4CN(C(=O)Cc5ccccc5Br)C[C@H]4C3)nn12 1888901312 JLKUCGVQVWSDEF-IYBDPMFKSA-N 441.333 2.333 0 40 IEAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)c5cccc(Cl)c5)C[C@H]4C3)nn12 1888930577 BXOXZDIRKQDMKB-ZIAGYGMSSA-N 432.937 2.097 0 40 IEAB FC(F)(F)C(Oc1nc(N2CCOCC2)nc(-n2nnc3ccccc32)n1)C(F)(F)F 1092796 ZPODHBTZDHFCOA-UHFFFAOYSA-N 449.315 2.314 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)c2ccc(F)c(F)c2)cc1 8825709 ODFGGQRVBDLACC-NSHDSACASA-N 440.424 2.016 0 40 IEAB O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCC1)Cc1ccncc1 9060957 CEUKOFWMFUMADH-UHFFFAOYSA-N 426.926 2.110 0 40 IEAB COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(Cc6cccnc6)C(=O)[C@@H]45)[C@H]23)c(OC)c1 9487306 YFNBOJSFEYRYAK-BIPLRESBSA-N 433.464 2.269 0 40 IEAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@@H]1CCSc2ccccc21 9535256 NSDKWXJSVGYIDX-MRXNPFEDSA-N 434.539 2.480 0 40 IEAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 9668826 GWQDWKYEGJMMRA-UHFFFAOYSA-N 448.497 2.145 0 40 IEAB CN(C)CCCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc1=O)CCC2 9745781 KWLKJJBCXXYODM-UHFFFAOYSA-N 444.557 2.186 0 40 IEAB Cc1cccc(-c2nc(SCC(=O)N3CCCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 11883408 MABHZNDDRJCWQC-UHFFFAOYSA-N 439.541 2.107 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)cc1 12551701 XHSQUSNJFOOTQD-UHFFFAOYSA-N 428.489 2.467 0 40 IEAB CNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)CC1 12583985 KLALIXASIOMZBN-UHFFFAOYSA-N 431.514 2.094 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 12976448 UMJWIVNQELUXCH-UUOWRZLLSA-N 437.496 2.409 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)cc1 12993617 NIBHSYMOEHFUPC-UHFFFAOYSA-N 440.525 2.336 0 40 IEAB O=C(CS(=O)(=O)c1ccccc1)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 13944601 BXOBHRGYCSWMBU-CQSZACIVSA-N 442.522 2.471 0 40 IEAB Cc1cccc(NC(=O)[C@@H](C)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 15523362 KFMJFLKASXOJEI-MRXNPFEDSA-N 444.557 2.320 0 40 IEAB Cc1ccc(Cn2ccc(NC(=O)C3=CC(c4ccco4)=NS(=O)(=O)N3C)n2)cc1 15673656 VOVZSYYQQVWJED-UHFFFAOYSA-N 425.470 2.335 0 40 IEAB C[C@H](CNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)c1ccccc1 19456411 AIWLLDIZFXKABD-HOZJOUCCSA-N 435.528 2.254 0 40 IEAB CN1CCCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c2nc3ccccc3nc21 40062732 LUQYQMFQESMDQL-IBGZPJMESA-N 447.474 2.062 0 40 IEAB CCn1cc2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2n1 62580792 SWUKHPQDCKTYIZ-UHFFFAOYSA-N 430.486 2.087 0 40 IEAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 71850204 LZFJKGXDJXBPAU-GOSISDBHSA-N 430.555 2.462 0 40 IEAB C[C@@](COc1ccccc1)(NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)O 95424647 JAWCHSOMAUZQDZ-NRFANRHFSA-N 432.498 2.123 0 40 IEAB COCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 96145857 IXBDAEPAHZOOSN-OALUTQOASA-N 430.526 2.276 0 40 IEAB O=C(Nc1ccc(Cl)cc1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1cccnc1)S3(=O)=O)O2 96146011 WOXYNMKDQDNPOY-HBFSDRIKSA-N 448.932 2.324 0 40 IEAB COC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 216347054 OYDIYFNDVGREOW-HXUWFJFHSA-N 436.574 2.073 0 40 IEAB C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCCN2CCOCC2)n1 225905560 YBAMDBKTTSVSTP-CYBMUJFWSA-N 432.516 2.493 0 40 IEAB COc1ccc(C=c2sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC 254739352 BHUIIQIJQMRWQD-UHFFFAOYSA-N 425.466 2.400 0 40 IEAB CS(=O)(=O)N[C@@H]1CCN(C(=O)NC2CCCC2)C[C@@]12CCN(Cc1cccs1)C2 306134573 NSJIFSWPFGDBFM-QUCCMNQESA-N 440.635 2.216 0 40 IEAB CN1CCC(N2CCN(C(=O)[C@@H]3CN(CC4CC4)[C@H]4c5ccccc5OC[C@@H]34)CC2)CC1 1772595865 PDIMHZMUCIEOAG-CUYJMHBOSA-N 438.616 2.317 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CC(Cn4cc(Br)cn4)C3)CC2=O)cc1 1889201557 AKURVGVTSBQWKY-CQSZACIVSA-N 433.306 2.166 0 40 IEAB CCOCCOc1ccc(CN(C)C[C@]2(O)CCN(c3cncnc3N(C)C)C2)cc1 2037918657 DHTDYVPATYWEBL-HSZRJFAPSA-N 429.565 2.031 0 40 IEAB Cc1nnc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)s1 812612 SMDITLRYNUIBJO-UHFFFAOYSA-N 434.934 2.447 0 40 IEAB Cn1ncc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)c1C(N)=O 2774782 GWNYOFKJTUOCAX-UHFFFAOYSA-N 435.204 2.013 0 40 IEAB COCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C 8724555 YRWWQZFFZIHZNI-CYBMUJFWSA-N 430.896 2.002 0 40 IEAB COc1cc(/C=c2\sc3n(c2=O)CN(c2cccc(Cl)c2)CN=3)cc(OC)c1OC 8994328 LKUBFYOCTDZDBA-NVMNQCDNSA-N 445.928 2.473 0 40 IEAB CC(C)[C@@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)C(=O)NC(N)=O 9113550 WTPVBPXXNDWTAR-MRXNPFEDSA-N 428.580 2.346 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 9348541 RUSSQDPHBHUGNV-NWFCWYBLSA-N 442.946 2.412 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 9427725 NUCYOJXPINQXCJ-UHFFFAOYSA-N 430.442 2.010 0 40 IEAB O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)NCc1ccc2c(c1)OCO2 9518563 ZYJZEDABTFGCIK-UHFFFAOYSA-N 426.454 2.137 0 40 IEAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)cc1 9667990 KHWOAEJUHIEDHT-SFHVURJKSA-N 445.541 2.309 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(Cl)cc2C)cc1 10283362 MOAZKWOODJXXCP-UHFFFAOYSA-N 449.960 2.453 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C1=O 11859487 NRIMVOUPKXNNRF-HNNXBMFYSA-N 431.489 2.101 0 40 IEAB Cc1ccc2c(c1)C(=O)C[C@@H](C1CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC1)O2 12154160 LDEBCEPEPJTZCG-NRFANRHFSA-N 434.558 2.239 0 40 IEAB Cc1cc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)nn1C 12443145 FOPLEQKEEJLGOQ-CYBMUJFWSA-N 436.519 2.022 0 40 IEAB C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 12762987 XIPXTMBWHSQPQG-INIZCTEOSA-N 427.480 2.390 0 40 IEAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 14231364 PWVYSNDRJZILDF-UHFFFAOYSA-N 441.553 2.097 0 40 IEAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 14406187 BFYISXMJSXCEHY-LJQANCHMSA-N 446.504 2.003 0 40 IEAB Cc1oc(=S)n(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1C 19079361 UBMAFZHJFLNLOK-UHFFFAOYSA-N 425.561 2.396 0 40 IEAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(S(C)(=O)=O)CC3)cc1 19135423 ZKRTXBZGBOOQSW-GOSISDBHSA-N 430.530 2.176 0 40 IEAB CC(C)NC(=O)[C@H]1CN(Cc2cc(F)ccc2F)C[C@@H]1c1ccnc(N2CCOCC2)n1 19450164 CXPSCTSPCAKPKB-OALUTQOASA-N 445.514 2.332 0 40 IEAB CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)NCC34CC5CC(CC(C5)C3)C4)=C2)c1C 19523897 MUKXSYDDXFRKAL-UHFFFAOYSA-N 445.589 2.407 0 40 IEAB C[C@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699329 ZTPILHZUZBFEJL-RXVVDRJESA-N 438.572 2.263 0 40 IEAB CNC(=O)CSc1nnc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)s1 23141749 HYAFTYGPZQJBLP-UHFFFAOYSA-N 441.966 2.001 0 40 IEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 23804990 ULOIETZIXJZUBO-GOSISDBHSA-N 436.512 2.265 0 40 IEAB Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Br)cc2)cc1 24462921 VJDYXDYMAGGYKV-UHFFFAOYSA-N 433.349 2.014 0 40 IEAB O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@H]1CC(=O)N(c2ccccc2)C1 32103540 SQEXVQAUPLOBLR-SFHVURJKSA-N 438.503 2.034 0 40 IEAB O=C(CN1CCOCC1)N1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 32888394 ROBUBFWVGKFADI-UHFFFAOYSA-N 441.532 2.478 0 40 IEAB CCOC(=O)N1CCC(NC(=O)[C@H](NS(=O)(=O)/C=C/c2ccccc2)C(C)C)CC1 33028317 YGXVEZAASMAESI-LBKOFNPBSA-N 437.562 2.338 0 40 IEAB CN(C(=O)CN1Cc2ccccc2C[C@H]1C(N)=O)c1ccccc1C(=O)NCc1ccco1 35294219 KCCJUBRZUCKYIX-QFIPXVFZSA-N 446.507 2.085 0 40 IEAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)cc(I)c1OCC 38207592 KXEYDFPUVAAJAF-LLVKDONJSA-N 428.230 2.265 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C(C)C)cc1 40122300 AMQCJDLDDVTVQY-QUCCMNQESA-N 435.590 2.063 0 40 IEAB Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc(-n5cnnn5)cc4)C3)nn2)n1 62164408 MSMHXKXWQAQIDW-KRWDZBQOSA-N 444.503 2.110 0 40 IEAB O=C(NCCCN1CCCCCC1=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 70019229 ZQXCXKRCBHSUFA-VQTJNVASSA-N 438.528 2.169 0 40 IEAB CCCCN(C(=O)COC(=O)[C@H]1SCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 72305587 ORZGDIQBVRASBV-DYVFJYSZSA-N 431.601 2.438 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(OC)c(Cl)c4)[C@H]3C2=O)cc1 101166004 JEAMLODEPAPNNB-ZWKOTPCHSA-N 443.847 2.289 0 40 IEAB CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 101373175 ZINJHPGGNINNOG-PLACYPQZSA-N 434.602 2.480 0 40 IEAB CCN(CC)CCn1c(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)nc2ccccc21 103023219 FATJGJMVWKGCES-CALCHBBNSA-N 425.533 2.492 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)N(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 220671411 HZSVHFAYSMPGJF-LJQANCHMSA-N 440.562 2.432 0 40 IEAB Cc1ccc(CN(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 222702525 JTQZSMTYNVVWQK-UHFFFAOYSA-N 430.574 2.147 0 40 IEAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H]4[C@H]3Sc3[nH]c(=O)sc3C43CCCCC3)[C@H]2C1=O 247430219 ULJQFMBPPQGCOO-GMRBLUAUSA-N 434.539 2.064 0 40 IEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N[C@H]1CN3CCC1CC3)NC2=O 247946126 JZPKEUKJIURZGC-PZPYWNPKSA-N 425.529 2.160 0 40 IEAB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)c1 408623686 SOJBZTRXJJXAJU-HNNXBMFYSA-N 430.530 2.287 0 40 IEAB COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604404036 IPBYUCOBJAUQQC-KRWDZBQOSA-N 439.468 2.294 0 40 IEAB biogenic O=C(c1cccc(C(=O)N2CCOC[C@@H]2C(F)(F)F)c1)N1CCOC[C@@H]1C(F)(F)F 606790454 WYJKFNRFFCIMPF-ZIAGYGMSSA-N 440.340 2.493 0 40 IEAB Oc1nc(CN2CCN(c3cncc4ncnn34)CC2)nc2cc(C(F)(F)F)ccc12 683679492 FJHSCOODRRMXCF-UHFFFAOYSA-N 430.394 2.114 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1775974622 YBGSRIOXIDQIOF-UHFFFAOYSA-N 434.472 2.271 0 40 IEAB COc1ncc(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4ccc(F)cc4)C3)C2)cc1C 2056226196 MRGSNWQHGTYQOY-NZQKXSOJSA-N 429.492 2.214 0 40 IEAB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)cc1 3045314 KORQEUOGBYFWRL-UHFFFAOYSA-N 425.422 2.428 0 40 IEAB COC(=O)c1ccc(CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)o1 9411627 PDQRFQWSMWAHMU-UHFFFAOYSA-N 444.494 2.428 0 40 IEAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H](NC(N)=O)C(C)C)ccc2C)cc1 9661918 PSYPTSGXEOFUKM-SFHVURJKSA-N 434.518 2.436 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@H]32)cc1 9674941 WWHDPDCERDVUFW-MSOLQXFVSA-N 443.847 2.289 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@H](c2ccc(OC)c(OC)c2)n2nnnc2N1 10232066 MRFXNYMLCDHARI-SFHVURJKSA-N 439.403 2.154 0 40 IEAB Cc1cc(C(=O)N2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)c(C)[nH]1 12156435 OZFAEMBKJVVVDC-UHFFFAOYSA-N 431.562 2.445 0 40 IEAB COC(=O)Cc1csc(NC(=O)Cc2c(C)c3ccc(OC)c(OC)c3oc2=O)n1 12323522 COANRIMHQREUTH-UHFFFAOYSA-N 432.454 2.472 0 40 IEAB COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)cn1 17296551 ORVJWUIGSUKFHU-IBGZPJMESA-N 435.502 2.193 0 40 IEAB O=C(N[C@@H]1CSC[C@H]1O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372537 QNFKTFHWBYMCQV-XRXFAXGQSA-N 428.529 2.349 0 40 IEAB COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)[C@@H]4CCCO4)C3)nc(O)c2C1 19570593 GMGIAKDPRJDNNO-UWJYYQICSA-N 438.528 2.244 0 40 IEAB CN(C)C(=O)c1cncnc1-c1ccc(CNC(=O)COc2ccc3c(c2)OCCO3)cc1 19581454 LHPHRBVUDAUDAE-UHFFFAOYSA-N 448.479 2.312 0 40 IEAB COc1ccc(CNC(=O)[C@H]2CN(C(=O)COc3ccccc3)Cc3cn(C)nc32)cc1 19696311 MBUAFQCURNLAJX-NRFANRHFSA-N 434.496 2.250 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](c2cc(C(N)=O)c3ccccc3n2)C1 19761984 ARDBCWXHBGWUBB-IBGZPJMESA-N 445.472 2.244 0 40 IEAB Nc1nc(C2CCN(C(=O)CC[C@@H]3CCC(=O)N3)CC2)ccc1C(=O)NCc1ccccc1 19765870 AEMCCBCNAASCNO-IBGZPJMESA-N 449.555 2.359 0 40 IEAB O=C(NCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@H]1COc2ccccc2O1 20733979 IBMMZRPLVWMIII-HXUWFJFHSA-N 429.904 2.335 0 40 IEAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 21699524 HAPRPXFOTMUKKM-UHFFFAOYSA-N 429.542 2.124 0 40 IEAB CN1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4cccc(Cl)c4)c(=O)n32)CC1 22768367 VPUNPGWNHZWKML-OAHLLOKOSA-N 444.948 2.047 0 40 IEAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(S(=O)(=O)N(C)C)CC2)c1 27427614 MHEXUFLJXAGORH-OAQYLSRUSA-N 430.574 2.407 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(N3CCOCC3)cn2)C(C)C)cc1 40049514 GFUAOBSKLGMRQH-HXUWFJFHSA-N 432.546 2.168 0 40 IEAB COc1ccc([C@H](CNC(=O)c2ccnc(-n3ccnc3)c2)N2CCOCC2)cc1OC 40153060 BJRGUKZXHWKWKG-IBGZPJMESA-N 437.500 2.088 0 40 IEAB O=C(NCCC1=CCCCC1)C(=O)NCC1CCN(C(=O)COc2ccccc2)CC1 43941734 UABKKOQAWXLNRL-UHFFFAOYSA-N 427.545 2.427 0 40 IEAB COc1ccc2c(c1)NC1(CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC1)NS2(=O)=O 72327978 JBPVRYINLVOIDH-UHFFFAOYSA-N 447.561 2.063 0 40 IEAB Cn1nc([C@H]2CCCN(C(=O)c3cnn(-c4ccccc4)n3)C2)n(-c2ccccc2)c1=O 77148973 DEYXBJBXLIMYKB-KRWDZBQOSA-N 429.484 2.172 0 40 IEAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCc3nc4ccccc4[nH]3)C2=O)cc1 96223502 SGCBLNYOAAZFFB-IBGZPJMESA-N 435.484 2.131 0 40 IEAB CCN(Cc1ccccc1)C(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 96268064 AYWFBFYFNXFVDB-HXUWFJFHSA-N 449.559 2.362 0 40 IEAB COc1cc(Br)c(/C=c2/s/c(=C/C(=O)C(C)(C)C)n(C)c2=O)cc1OC 96759267 IXYUADFXBATVHA-SOWNIVKUSA-N 440.359 2.451 0 40 IEAB CCNC(=O)Cn1c(=O)/c(=C/c2ccccc2C(F)(F)F)s/c1=C/C(=O)C(C)(C)C 96794445 ISLINDSFVNOSPI-ODXRKRKHSA-N 440.487 2.289 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 102806068 RMXJWBXZSWAJFS-QZTJIDSGSA-N 447.557 2.305 0 40 IEAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N1CCN(c2ccccc2F)CC1 223056905 WHZFOQZEISZINL-UHFFFAOYSA-N 447.532 2.302 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)Cc1ccc(F)cc1 226062677 SUTINAFRQONGCM-UHFFFAOYSA-N 447.532 2.391 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)COc3c(C)cccc3C)C2)nc2c1CCN(C(C)=O)C2 257245500 IPTMBPXCQAZYGW-GOSISDBHSA-N 437.544 2.435 0 40 IEAB CCOC(=O)C1CCC(CNC(=O)NC2CCN(c3nccn4c(C)nnc34)CC2)CC1 390830613 MFHOEMWUFCHSLM-UHFFFAOYSA-N 443.552 2.070 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 409261452 DARCQSHMXRBHMZ-UHFFFAOYSA-N 448.497 2.281 0 40 IEAB CCOC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cn1C 544839819 KFNZTNYWTJTWEK-UHFFFAOYSA-N 437.493 2.380 0 40 IEAB CCOc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1 2712521 KJNQJSSWXQVQIA-UHFFFAOYSA-N 429.458 2.327 0 40 IEAB CC[C@@H](C)NC(=O)CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O 8930271 JYKOMAKIBPSJLN-OAHLLOKOSA-N 425.485 2.414 0 40 IEAB CCOc1ccccc1Nc1nnc(SCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)s1 9512019 NYISQOBBUNXGJG-LBPRGKRZSA-N 442.588 2.418 0 40 IEAB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)N[C@H]1CCS(=O)(=O)C1 9632805 QSSNZICBOYFREJ-AWEZNQCLSA-N 445.522 2.061 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)c(OC)c1 9824020 PJCGWSAIKXLWAY-UHFFFAOYSA-N 445.483 2.190 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(N2C(=O)CCC2=O)c1 9955242 ILTJLQOKAKUIIC-UHFFFAOYSA-N 427.482 2.377 0 40 IEAB Cc1ccc(CN(C)C(=O)CN2CC[C@]3(CCC2=O)CNC(=O)c2ccccc2O3)o1 12086632 VOCADJASDRGVLA-HSZRJFAPSA-N 425.485 2.120 0 40 IEAB O=C(CSc1nc2ccccc2o1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12907444 XCHYHYCHUURFJF-LJQANCHMSA-N 439.493 2.431 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1C 13012107 SDTKPJKQKFUWBK-UHFFFAOYSA-N 435.502 2.188 0 40 IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1 13566387 XYTJHPQQXIROFV-UHFFFAOYSA-N 440.905 2.452 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(OC)c(OC)c1)c1ccc2c(c1)OCCO2 14397720 SJGHSAMORPQJAA-UHFFFAOYSA-N 436.486 2.270 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c1=O 15193207 IYLLHSVLVQCRNF-UHFFFAOYSA-N 434.496 2.494 0 40 IEAB COc1ccc(CNC(=O)CCc2nnc3c(=O)n(-c4ccc(OC)cc4)ccn23)cc1 15736426 CJOFTPCMBGGXCO-UHFFFAOYSA-N 433.468 2.146 0 40 IEAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ncccn2)CC1 17298917 QJXDMKABFJDGPM-KRWDZBQOSA-N 433.965 2.330 0 40 IEAB COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc3nsnc23)C1=O 19078334 WUNOZMUNOVUYTO-HXUWFJFHSA-N 425.470 2.192 0 40 IEAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN3C(=O)CCCN3CCCC3=O)c2N)cc1 19558717 BECPSVAGYWWALG-IBGZPJMESA-N 439.516 2.039 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O 19699925 VAOUPWMBNGVVAU-SFHVURJKSA-N 430.524 2.156 0 40 IEAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)ncc1C(=O)N1CCCCC1 19763325 GOLNKPHFDXSAEK-KRWDZBQOSA-N 446.577 2.319 0 40 IEAB O=C1C[C@H](NCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 20189396 QEUPTKDZCUXDII-NRFANRHFSA-N 428.483 2.399 0 40 IEAB C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 20768934 AYMPLMJBHZEPJR-KRWDZBQOSA-N 429.542 2.355 0 40 IEAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 23012341 BIPZYGFYXVMMRB-UHFFFAOYSA-N 436.512 2.332 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 23744981 MEIUYWSZQUWDQB-RTWAWAEBSA-N 440.569 2.466 0 40 IEAB O=C([C@@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23805193 JVFKJKVKPXDARL-QGZVFWFLSA-N 425.460 2.252 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccccc3F)n2N)n1 28853992 RZJLJSBNXFHUMF-UHFFFAOYSA-N 436.494 2.091 0 40 IEAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O 32722723 FISPKRWFFNDTAE-OAQYLSRUSA-N 427.482 2.378 0 40 IEAB C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC(=O)NC1CCCC1 32774495 SGUHEHNWTZILPN-LBPRGKRZSA-N 426.502 2.358 0 40 IEAB COc1cc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)ccc1OC(F)F 32983225 LWZUIOPSSNDSGE-LJQANCHMSA-N 448.422 2.421 0 40 IEAB C[C@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 100234241 CIFNHTFCARQDLZ-YYFZDKIDSA-N 425.533 2.292 0 40 IEAB O=C(Nc1cccc(O)c1)[C@@H]1[C@H]2O[C@@H](C(Br)=C2Br)[C@@H]1C(=O)O 100352150 RBSYPJCXJJPQJM-JTRYMVSWSA-N 433.052 2.430 0 40 IEAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 219972307 MFJQAQXOYNQTPQ-SFHVURJKSA-N 432.542 2.354 0 40 IEAB CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224798694 IWKCZSJBHIRTSP-UHFFFAOYSA-N 437.470 2.249 0 40 IEAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 225613135 FNYRYGKOCGBLBZ-GOSISDBHSA-N 427.888 2.354 0 40 IEAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3ccccc3C(=O)O)c2=O)=N1 409037006 MPBZVAYZWCMQBG-ZPBCLNFZSA-N 448.500 2.497 0 40 IEAB Cc1cc(C)cc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1 409132299 XFRFJUGCILIATP-UHFFFAOYSA-N 439.559 2.104 0 40 IEAB COCCn1ccc2c(C(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cccc21 524732255 XAVJFJWVHMCNJM-MOPGFXCFSA-N 434.540 2.299 0 40 IEAB biogenic CCn1c(O)nc2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)ccc2c1=O 1536583412 OMICTJLKKHVSRG-INIZCTEOSA-N 430.505 2.497 0 40 IEAB CN1CCC([C@H]2CCN(C(=O)NCc3ccc(CN4CCC(C(N)=O)CC4)cc3)C2)CC1 1673653777 WRMXCQCZYIPSAF-QHCPKHFHSA-N 441.620 2.257 0 40 IEAB CCN1CCN(C(=O)CNC(C)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 1848353466 FRNIFZMJCQVWDP-FQEVSTJZSA-N 425.504 2.478 0 40 IEAB CCOC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 1317687 USWKMVUNMKVHGY-CWSCBRNRSA-N 427.242 2.398 0 40 IEAB COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccc(NC(C)=O)cc2)c1 1361363 PRDZGNIGTIAVGD-UHFFFAOYSA-N 428.474 2.369 0 40 IEAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1c2ccccc2Oc2ccccc21 3449701 QMSWBIVCOFTHCY-OAHLLOKOSA-N 428.510 2.076 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O 4574627 QEZBEOOFSRNPCR-AYBZRNKSSA-N 449.548 2.420 0 40 IEAB CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)c1 9094933 JQNLVELRGCDLLD-UHFFFAOYSA-N 432.498 2.236 0 40 IEAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 9187653 POPFRZOURFSWFL-INIZCTEOSA-N 427.892 2.339 0 40 IEAB Cc1ccccc1-n1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1 9322246 UGGFVLUOEANHCO-MRXNPFEDSA-N 443.554 2.033 0 40 IEAB CCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569868 MXVZAEASTRQGBB-UHFFFAOYSA-N 435.521 2.106 0 40 IEAB Cc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1 9660651 HLTXTQCQPVAUFJ-UHFFFAOYSA-N 444.447 2.282 0 40 IEAB COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 9671966 VGPMUVOVDRIDQL-HUUCEWRRSA-N 434.514 2.262 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCC(C)C)c(C)c1 9746240 BTGWQFNUDBAUGF-LJQANCHMSA-N 437.606 2.434 0 40 IEAB Cc1ccnc(Nc2ccc(NCCNS(=O)(=O)c3ccc4c(c3)OCCO4)nn2)c1 11696841 JWACWRGERGFIDA-UHFFFAOYSA-N 442.501 2.085 0 40 IEAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)Nc1ccc(N2CCCC2)cc1 11858114 ATYWECDXWBFUKN-UHFFFAOYSA-N 449.554 2.463 0 40 IEAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 11906363 ZEKIUZOAQKLVSC-UHFFFAOYSA-N 445.316 2.316 0 40 IEAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)c1ccc(Cn3cnnn3)cc1)c1ccccc1O2 12086480 YTIRULWIRRDAGJ-HYBUGGRVSA-N 446.511 2.356 0 40 IEAB CC(C)n1c(=O)n(CC(=O)N2CCCC[C@@H]2C)c2c(C(N)=O)nc(-c3cccs3)nc21 12239887 UHDGYYWBJYBNNZ-ZDUSSCGKSA-N 442.545 2.402 0 40 IEAB CCn1c(=O)n(CC(=O)c2cccc(OC)c2)c2c(C(N)=O)nc(-c3cccs3)nc21 12276832 DDEFAVLZFZAQFZ-UHFFFAOYSA-N 437.481 2.332 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)CCC(=O)c2cccs2)c1 12548736 OBBSCGLJGWKSKM-UHFFFAOYSA-N 433.438 2.466 0 40 IEAB O=S(=O)(c1cccc(CSc2nnnn2Cc2ccccc2)c1)N1CCOCC1 12601263 XZJBGZBECPIEJE-UHFFFAOYSA-N 431.543 2.035 0 40 IEAB O=C(CSc1nnc(C2CC2)n1C1CC1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 12859697 WJCPZTKWECAPGA-HNNXBMFYSA-N 436.559 2.391 0 40 IEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)cnc32)c(C)c1 16047569 XCCLHNZJRMODRQ-UHFFFAOYSA-N 431.452 2.244 0 40 IEAB CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 16682935 QKXYWCOQZOYPOF-UHFFFAOYSA-N 447.513 2.167 0 40 IEAB Nn1c(SCC(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1cccc(F)c1 19011293 QCLDQIKWBWTPFJ-UHFFFAOYSA-N 430.484 2.378 0 40 IEAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCN(C(=O)CCn4c(C)cc(C)nc4=O)C3)c2N)cc1 19213222 HNOPCHLPRFGGIG-SFHVURJKSA-N 448.527 2.058 0 40 IEAB Cc1cccc([C@@H]2CN(Cc3cnc(N4CCOCC4)nc3)C[C@]23CCCCC(=O)N3)n1 19236393 GBIFBRWPRPRFTA-GBXCKJPGSA-N 436.560 2.045 0 40 IEAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CC3CCCC3)[nH]c2=O)C1 19520453 HBLXOHZXTFGVLN-SFHVURJKSA-N 436.578 2.112 0 40 IEAB CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)NCCN1CCOCC1 20503972 POCDJWKMFUQGKY-OALUTQOASA-N 432.565 2.414 0 40 IEAB biogenic,in-vitro CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C)COC)cc1C 22247491 WMMMFOJMZKKQOH-FXAWDEMLSA-N 434.558 2.434 0 40 IEAB COc1cc(CNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc(OC)c1OC 22328710 UVXMWJYHTFDCFN-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB COc1cccc([C@H](CNS(=O)(=O)c2ccc(OC)c(OC)c2)N2CCOCC2)c1 23108073 BSGUPFGBRDZYCP-IBGZPJMESA-N 436.530 2.064 0 40 IEAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O 24971753 KIZHVYFAFZMXDG-CMJOXMDJSA-N 435.436 2.156 0 40 IEAB Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnn1-c1ccccc1C(F)(F)F 26456118 RMUXVHZLXYVDDD-UHFFFAOYSA-N 425.392 2.494 0 40 IEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccccc1Br 41097293 SXVHRJCSSBGNFL-QGZVFWFLSA-N 433.302 2.470 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)c(Cl)c2)C1=O 41182039 IZUWLNCQOXRJMZ-VIFPVBQESA-N 438.845 2.309 0 40 IEAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)cc1 44453759 JHVHVFBPHOAGAQ-UHFFFAOYSA-N 434.480 2.328 0 40 IEAB CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 58370190 VAFLFAHVMMFWGS-CRAIPNDOSA-N 439.541 2.430 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n(CCNS(=O)(=O)c3ccccc3C(F)(F)F)n2)n1 77197033 UNAGWZWARFFKRZ-UHFFFAOYSA-N 441.435 2.043 0 40 IEAB COc1cccc(CCN2C[C@H]3CCN(C(=O)c4ccncc4)CC[C@H]3S2(=O)=O)c1 96145493 YEMLHJPIWFYKMJ-TZIWHRDSSA-N 429.542 2.199 0 40 IEAB COC(=O)c1cn(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c2ccccc12 222602964 VJXBABYQIHKUJH-UHFFFAOYSA-N 442.493 2.446 0 40 IEAB O=S(=O)(c1ccccc1Cl)N1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 257294757 QVPPAGATHHJHBI-HNNXBMFYSA-N 432.893 2.426 0 40 IEAB CC(=O)N[C@@]12CCN(C(=O)c3ccc(OCCCN)cc3)C[C@@H]1[C@@H](c1ccccc1)NC2 257310060 UDNGSKLXDDXMSZ-VDKIKQQVSA-N 436.556 2.096 0 40 IEAB CCc1ccc(CN2CC[C@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)cc1 306127211 FRTTXFMGIRFPOR-QHCPKHFHSA-N 437.569 2.328 0 40 IEAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N1CCC(C(N)=O)CC1 408675291 HGGZDTVNRLZVDM-UHFFFAOYSA-N 449.504 2.038 0 40 IEAB O=S1(=O)CC[C@H](CNC(=S)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)C1 575420219 ARJUBRXUAVWBSG-LLVKDONJSA-N 425.557 2.302 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NC[C@H]2CCN(C3CC3)C2)cc1 595404602 XBYRQLUXVKYVFP-UTKZUKDTSA-N 433.574 2.033 0 40 IEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cn[nH]c3)[C@@H]21 604406272 AEYCSHLVBWHTGJ-HXUWFJFHSA-N 433.424 2.180 0 40 IEAB biogenic COCCn1cnc2c(N3CCN(c4nc5c(OC)cccc5s4)CC3)ncnc21 1888946107 YDQMTNLTQAKFMP-UHFFFAOYSA-N 425.518 2.418 0 40 IEAB CC(C)NCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CNC(C)C)cc2)cc1 1580998 GSFHVBVBBLUMGE-UHFFFAOYSA-N 446.573 2.392 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 6162652 ZCJMDJWJJHYERK-UHFFFAOYSA-N 446.456 2.023 0 40 IEAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(c2ncccn2)CC1 8134539 SDZLOAYBMGRKRE-LOXVZWDBSA-N 425.577 2.482 0 40 IEAB O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)[C@@H]1Cc1ccccn1 8781502 MCDPAOOVUGJIFZ-GFCCVEGCSA-N 441.797 2.498 0 40 IEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 8942964 FAGCKMIIBBAOGZ-UHFFFAOYSA-N 445.479 2.471 0 40 IEAB CN(C(=O)/C=C/c1ccc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9255348 ODFRKUBZFRSBDF-BUHFOSPRSA-N 427.464 2.392 0 40 IEAB Cc1nnc(NC(=O)[C@H](C)Sc2nnc(CCNC(=O)c3ccccc3F)n2C)s1 9304138 VTVUEJJCQGWXBM-JTQLQIEISA-N 449.537 2.206 0 40 IEAB CCCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)CC1=O 9355829 IUVOWWVBDPSASL-OAHLLOKOSA-N 431.518 2.173 0 40 IEAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1N1CCOCC1 9429037 CEQYJCRSRUHYOX-UHFFFAOYSA-N 448.940 2.100 0 40 IEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9463480 MHGSLCDHBBBLTE-UHFFFAOYSA-N 448.545 2.054 0 40 IEAB CCN1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@@H]2c2ccc(C)cc2)C(=O)C1=O 9599696 LWJGTMFKONSPIR-JOCHJYFZSA-N 448.523 2.372 0 40 IEAB CCN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 9629739 HUYPQOTZLKRCMX-UHFFFAOYSA-N 441.962 2.291 0 40 IEAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 9640812 PQNRLWSTXSQVHG-MRXNPFEDSA-N 443.550 2.303 0 40 IEAB Cc1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)cc1 9708546 COMZAAMCYCEBLP-UHFFFAOYSA-N 449.554 2.035 0 40 IEAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(OC)cc1 9761625 JEGMPGQDAUFMNK-UHFFFAOYSA-N 430.438 2.186 0 40 IEAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 12221145 BSUKEPUBTGBUHL-LJQANCHMSA-N 443.573 2.340 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)c1 12224974 BTRYXHMFDZXRRH-UHFFFAOYSA-N 436.534 2.100 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc23)cc1 12556568 UCCROJFXQPLHLI-ZDUSSCGKSA-N 430.486 2.434 0 40 IEAB Cc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N(C)C 12680407 INFYCNDJSYAGBZ-UHFFFAOYSA-N 428.514 2.443 0 40 IEAB Cc1cccc(C(=O)NCCC(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)c1 12761152 QAQIRGLUIBCQLJ-UHFFFAOYSA-N 426.492 2.037 0 40 IEAB CCC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 13039940 METYCDWHCWJLQT-CQSZACIVSA-N 437.484 2.196 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(NC[C@@H](c3ccco3)N3CCCCC3)nc2)CC1 15170596 VWJJPICBYRNULB-IBGZPJMESA-N 433.578 2.250 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCNC(=O)c1ccc(Cl)cc1 15718322 PVSVHVYCLQCAJN-UHFFFAOYSA-N 435.933 2.300 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1cccc(I)c1)C2=O 16000012 MYJJLWINESCGCY-UHFFFAOYSA-N 427.242 2.437 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1 19211908 CVESIKMYGLJKPG-LBPRGKRZSA-N 431.543 2.256 0 40 IEAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)CC2)Nc2ncccc21 19346618 DDFXEHPUNBXZGB-CEXJFXJFSA-N 425.533 2.127 0 40 IEAB Cc1nccn1C[C@@H]1CCCN(C(=O)Cn2cccc(C(=O)NC3CCCCC3)c2=O)C1 19750662 YMDHJGHEYRUZBC-IBGZPJMESA-N 439.560 2.355 0 40 IEAB COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)CC1 20105447 NNYCOTQYALOUOC-UHFFFAOYSA-N 442.965 2.293 0 40 IEAB CN1[C@@H](CCC(=O)N2CCc3ccccc32)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccc(O)cc1 22922730 NJEZJACWSARCST-ZWSUVBHBSA-N 448.567 2.135 0 40 IEAB biogenic,in-vitro Cc1ccccc1Cn1nc2n(C)c(=O)c3ccc(C(=O)NC4CCCC4)cc3n2c1=O 23126394 ZPLCXDOGBDZDFD-UHFFFAOYSA-N 431.496 2.377 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(Cc3ccsc3)CC2)C1=O 23257550 VSJFHWUISPJZBQ-NRFANRHFSA-N 428.514 2.019 0 40 IEAB COC(=O)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccc(C)cc1 25457860 WIQRNJAIJQDZOP-JPYJTQIMSA-N 441.459 2.322 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 31632506 FABDKCYZBVZMNQ-OAQYLSRUSA-N 426.498 2.132 0 40 IEAB CC(C)c1cc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cn1 36703852 ZEILHGLBXZITIO-UHFFFAOYSA-N 433.515 2.263 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1 40159268 QDYPOKMYTGYISK-OAHLLOKOSA-N 443.500 2.324 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)/C=C/c2cccs2)CC1 56907937 BWZIHPREZXEOLV-RTRPANQVSA-N 434.587 2.283 0 40 IEAB CC(C)CCNC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21 57428251 INDOITUYXIHOKO-UHFFFAOYSA-N 429.498 2.164 0 40 IEAB COc1cccc(N2CCN(CC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)CC2)c1 58135627 GDRSQFLDHBMQBK-UHFFFAOYSA-N 446.573 2.015 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1 67197194 LYVXSFWOWCLPJQ-UHFFFAOYSA-N 433.420 2.230 0 40 IEAB CN(C)[C@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1cccs1 77200654 BZVDPUJCJCJUER-QGZVFWFLSA-N 443.616 2.259 0 40 IEAB COC(=O)c1ccc(-c2nnn(CC(=O)NCc3ccc(OC(F)(F)F)cc3)n2)cc1 78876852 OZVLURIVBGYLIM-UHFFFAOYSA-N 435.362 2.342 0 40 IEAB C[C@](COc1ccccc1)(NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)O 95424646 JAWCHSOMAUZQDZ-OAQYLSRUSA-N 432.498 2.123 0 40 IEAB O=C(COc1coc(CN2CCSCC2)cc1=O)N1CCN(c2ccc(F)cc2)CC1 96836878 KFYGGLQIIMWMEF-UHFFFAOYSA-N 447.532 2.055 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)CC1 222529341 PGIFLIMGPWYQOS-UHFFFAOYSA-N 431.514 2.426 0 40 IEAB Cc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1N(C)S(C)(=O)=O 224583469 MQIIOBSRARGRBU-UHFFFAOYSA-N 431.558 2.153 0 40 IEAB CCOc1ccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 224987414 BZTQPJXYEZRGAK-UHFFFAOYSA-N 433.530 2.327 0 40 IEAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCCOC(C)C)c1 408709921 IPIALIKWLCSBNR-UHFFFAOYSA-N 427.501 2.495 0 40 IEAB Cc1c(C(=O)Nc2ccccc2)[n+]([O-])cn1-c1ccc2c(c1)N(S(C)(=O)=O)CCC2 1547201080 VCZIMSKZZKFOCY-UHFFFAOYSA-N 426.498 2.384 0 40 IEAB COc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c(OC)c1 822817 SUALZYVDSIGTIG-ZWKOTPCHSA-N 431.448 2.180 0 40 IEAB COc1ccc(NC(=O)CSc2nnnn2-c2cc(OC)ccc2OC)c(OC)c1 932127 CMAGIHZCRXBONU-UHFFFAOYSA-N 431.474 2.428 0 40 IEAB COCCOC(=O)c1sc2ncn(CC(=O)Nc3ccccc3OC)c(=O)c2c1C 1971069 PFRMKLSVCQIODZ-UHFFFAOYSA-N 431.470 2.217 0 40 IEAB COc1cc2c(cc1OC)[C@H]1C(=O)c3cc(OS(C)(=O)=O)c(OC)cc3[C@H]1N(C)C2=O 5618884 GPIZRQJCJKRCLG-RTBURBONSA-N 447.465 2.158 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)ccc2=O)cc1 8954954 DQKJLCZNPBAHAL-UHFFFAOYSA-N 433.511 2.127 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccc(F)cc2)cc1 9368572 GDGFCUWSTPZBCO-UHFFFAOYSA-N 435.506 2.249 0 40 IEAB O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 9426586 CXJTZZGZZGJQNN-GOSISDBHSA-N 439.487 2.328 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c1 9585731 CMUOGRVGEMUZBP-UHFFFAOYSA-N 433.317 2.219 0 40 IEAB COc1ccccc1Nc1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)s1 9712740 LEWCAOLANMHMOP-UHFFFAOYSA-N 446.514 2.032 0 40 IEAB O=C(Nc1ccccc1N1CCOCC1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 9716734 MQBYVHYIVAEFDL-SFHVURJKSA-N 445.541 2.233 0 40 IEAB O=C(Cn1nnc(-c2cccc(Cl)c2)n1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9728484 OMXXMZHRYJXLRF-SFHVURJKSA-N 445.932 2.209 0 40 IEAB CCCc1cnc2c(c1SCC(=O)Nc1ccccc1OC)c(=O)n(C)c(=O)n2C 10216704 JIAABWOVLDDCGZ-UHFFFAOYSA-N 428.514 2.324 0 40 IEAB O=C(/C=C/c1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 11796366 CRKRDCOZOIJTFJ-VAWYXSNFSA-N 431.533 2.497 0 40 IEAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)Cn1ncc3ccccc3c1=O)c1ccccc1O2 12086439 DAJOIJFGCUNWOQ-NLFFAJNJSA-N 446.507 2.418 0 40 IEAB CC(=O)N1C[C@@H](C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)Oc2ccccc21 12681336 MWDXYCYGKOAVTL-HNNXBMFYSA-N 425.466 2.331 0 40 IEAB O=C(c1ccccc1OCc1ccc(F)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12942933 NVLGZNSNMRNKAH-IBGZPJMESA-N 432.517 2.350 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)c1 14201432 YKTBMWIXZWHHNY-YQQAZPJKSA-N 438.546 2.279 0 40 IEAB COc1ccc(CCNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1OC 15843125 OGYZPYOLCINZSZ-UHFFFAOYSA-N 446.525 2.379 0 40 IEAB biogenic CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)ccc12 15955856 YUUQXLKYWIGONJ-OAQYLSRUSA-N 446.500 2.164 0 40 IEAB biogenic O=C(c1cccc(F)c1)N1CCN(CCN2CCN3CCCc4cccc(c43)C2=O)CC1 19293579 PHDNCZRBCASMPG-UHFFFAOYSA-N 436.531 2.492 0 40 IEAB O=C(NCCO)c1cc([C@H]2CCN(Cc3ccnc(N4CCCC4)n3)C2)nc2ccccc12 19762705 BABCVWUOFOBKJX-SFHVURJKSA-N 446.555 2.337 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1cccc(Br)c1 21010347 WPLDLCOATBQWSJ-CQSZACIVSA-N 448.364 2.423 0 40 IEAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCOCC2)no1 21751417 DJPDNPMPKXOPNY-UHFFFAOYSA-N 443.529 2.146 0 40 IEAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1 23134699 USIPNWBDHAUHGT-UHFFFAOYSA-N 430.468 2.035 0 40 IEAB CNC(=O)c1ccc(CN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)C2CC2)cc1 26116628 HLXRVPSBUMJWHB-WNSKOXEYSA-N 426.517 2.038 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)O2 38851296 QWXLDLYQCBACIK-HXUWFJFHSA-N 433.505 2.010 0 40 IEAB CSc1ccccc1CN1CCC(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 43991462 ZSELLOGFJFNLLO-UHFFFAOYSA-N 439.647 2.408 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21)Nc1nccs1 57428276 ONPRHUJRRUMSMG-UHFFFAOYSA-N 442.478 2.097 0 40 IEAB Cn1nc(CC(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)c2ccccc2c1=O 59346312 WIUIQXSHUUVBJG-UHFFFAOYSA-N 428.514 2.192 0 40 IEAB COc1cc(Br)c(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)cc1OC 60348761 OQPCVKHDZHHGDZ-GFCCVEGCSA-N 436.324 2.382 0 40 IEAB O=C(Cn1nc(-c2cccs2)ccc1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 61719694 LXNHFOUEVIJYIB-MRXNPFEDSA-N 429.523 2.192 0 40 IEAB CCOc1ccccc1S(=O)(=O)N1CCc2nc(NC(=O)c3cnccn3)sc2C1 77196322 PGYBYPUQSHQLLV-UHFFFAOYSA-N 445.526 2.331 0 40 IEAB CN(CC(=O)N1CCCC[C@H]1c1cccn1C)S(=O)(=O)c1ccc2c(c1)OCCO2 78971482 BHEIAWOKHOLWAQ-SFHVURJKSA-N 433.530 2.171 0 40 IEAB O=C(c1cc2[nH]nnc2cc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 96012253 DFWKEMGISRNCQZ-UHFFFAOYSA-N 439.472 2.397 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222457866 FLLTZSDNKVUDCN-GOSISDBHSA-N 431.558 2.233 0 40 IEAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223473020 QSVDQWJANZRCBD-HXUWFJFHSA-N 445.585 2.357 0 40 IEAB C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(C1CC1)[C@H]3C(=O)NC1CCCC1)[C@H]2C(=O)NCc1ccccc1 245229568 BECBFNRVEMJVFB-SUVMOZOHSA-N 449.551 2.065 0 40 IEAB CC1(C(=O)N2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)CCN(C(=O)c2ccccc2)CC1 257269460 MQAGTWDFAZJDTE-OALUTQOASA-N 435.515 2.232 0 40 IEAB CNC(=O)c1cccc([C@H]2CN(Cc3ccnc(N4CCCCC4)n3)CCN2C(C)=O)c1 257283303 OXSFYXLAMUGUNN-JOCHJYFZSA-N 436.560 2.232 0 40 IEAB C[C@@]1(O)CCN(C(=O)c2ccc(CN3CCCCC3)cc2)C[C@H]1n1cnc2c(N)ncnc21 257291834 QIUNNTQVCQEBLF-NTKDMRAZSA-N 449.559 2.233 0 40 IEAB Cc1nc(C(=O)N2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cs1 306131873 KRTMBZBVUGUIHP-CVDCTZTESA-N 449.536 2.279 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1C 408620302 JCBIOVLXFXNFCK-SFHVURJKSA-N 431.558 2.409 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)NCc3nnc4n3CC[C@H](C(F)(F)F)C4)CC2=O)c1 575607688 OLSVQLUNJSBEKT-STQMWFEESA-N 437.422 2.081 0 40 IEAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)Nc5ccc(OC)cc5OC)C[C@H]4C3)nn12 1888944398 QFXWNNPXQUWBNW-HUUCEWRRSA-N 437.504 2.304 0 40 IEAB CCOC(=O)Cc1csc(NC(=S)NC(=O)c2cc(OC)c(OC)c(OC)c2)n1 3179084 NJVBVUUOAKXJQU-UHFFFAOYSA-N 439.515 2.401 0 40 IEAB O=C1C[C@@H](N2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 3671367 JJMPDCYWLDYAGF-OAHLLOKOSA-N 437.834 2.099 0 40 IEAB CCOC(=O)c1c(C)n(S(=O)(=O)CC)c2cc(OC)c(NS(=O)(=O)CC)cc12 6142925 RZXDUUHBTJCMLB-UHFFFAOYSA-N 432.520 2.094 0 40 IEAB O=C(NCc1ccccc1F)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 8601495 DSRGKXUIQCDLDX-INIZCTEOSA-N 436.486 2.428 0 40 IEAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1ccc(N2CCOCC2)cc1 9469496 NJCOSPIGWKTAGH-UHFFFAOYSA-N 446.525 2.288 0 40 IEAB Cc1ccccc1-c1nc(SCC(=O)NC2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 9517488 DSMDTZBDIZWQNY-UHFFFAOYSA-N 439.541 2.154 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCNC(=O)c1ccccc1Cl 9585070 JLUGFDOYNQCJPR-UHFFFAOYSA-N 439.921 2.358 0 40 IEAB C[C@H]1CN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C[C@@H](C)O1 12549441 JCUBVOUBMKUTAV-OTWHNJEPSA-N 445.585 2.170 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1c(C)csc1=O 14190567 ISMDTSPTNNDKCN-UHFFFAOYSA-N 425.532 2.040 0 40 IEAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 15560074 XMPKTZYGHLBGAY-GQCTYLIASA-N 428.967 2.298 0 40 IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 16678225 JOEUGUSWEXTLDQ-UHFFFAOYSA-N 435.521 2.242 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)n1 19709559 UEFCGMPXGBLFBX-QGZVFWFLSA-N 442.539 2.478 0 40 IEAB Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)C2=O)cc1 21817806 VQWPIFBWOWBXCM-IBGZPJMESA-N 447.944 2.287 0 40 IEAB COc1ccc(-c2nc(Cn3nc(C)c(S(=O)(=O)N4CCOCC4)c3C)co2)cc1 22842402 VVKZHPHIPOZFOB-UHFFFAOYSA-N 432.502 2.233 0 40 IEAB O=C(c1ccccc1S(=O)(=O)N1CCOCC1)N1CCc2[nH]c3ccccc3c2C1 24653717 ACJKPKABMWVPPA-UHFFFAOYSA-N 425.510 2.387 0 40 IEAB O=C(NCCNC(=O)c1ccccc1Cl)c1ccc(S(=O)(=O)N2CCCCC2)o1 40089224 KRAYHCUVDQVDGI-UHFFFAOYSA-N 439.921 2.267 0 40 IEAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCS(=O)(=O)N1CCc2ccccc21 40089570 ZJLKCDZAEYADDR-QFIPXVFZSA-N 439.537 2.459 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ccccc4n3)CC2)o1 40094599 FQXMBBRMELZKJT-UHFFFAOYSA-N 443.481 2.151 0 40 IEAB CCOCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 57773663 CXNPNFWYIHIFCA-VXKWHMMOSA-N 439.556 2.102 0 40 IEAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](n2cccn2)C1 58291830 VPQFSZUASZIVAE-WMZOPIPTSA-N 429.546 2.344 0 40 IEAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)C1 69483863 JEFLHOUJBFJKJL-GFCCVEGCSA-N 431.440 2.437 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CC(Oc3nc4c(Cl)cccc4s3)C2)CC1 77101026 FCCJWZNJULXCMX-UHFFFAOYSA-N 429.951 2.211 0 40 IEAB CCCCN(CC)Cc1cccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 84744392 MBIFAHMIXHRMKC-UHFFFAOYSA-N 439.603 2.435 0 40 IEAB CC[C@H](C(=O)Oc1ccc(N(C)C2=NS(=O)(=O)c3ccccc32)cc1)N1CCOCC1 95481868 CRTRUNZRLAQCLS-LJQANCHMSA-N 443.525 2.288 0 40 IEAB CCOC(=O)CC1(N(C)Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CCCCC1 95961367 UGXJAJUPAAWZDI-UHFFFAOYSA-N 435.550 2.154 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)CC2)cc1 102404987 SHEWWNRKBLXNOI-FVCZOJIISA-N 446.569 2.340 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 103412846 SGKCBEGWPZEQCJ-XHSDSOJGSA-N 429.533 2.164 0 40 IEAB COc1ccc(N(CC(=O)NCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1Cl 216242252 AXXVCAKZWDEMCW-UHFFFAOYSA-N 442.921 2.448 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C)c1ccc2c(c1)OCO2 225043917 PTJXVPDYLCHYFG-UHFFFAOYSA-N 449.510 2.124 0 40 IEAB COc1ccc(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1Cl 260895002 GJVHYAOFNDHTSO-AWEZNQCLSA-N 440.905 2.071 0 40 IEAB CS(=O)(=O)N1CCCC[C@H]2CN(CC3(O)CCN(c4ccccc4F)CC3)CC[C@H]21 585282500 FDKUCFVEKYZCTI-AZUAARDMSA-N 439.597 2.293 0 40 IEAB CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 673873359 NQSJURZWKWYQKE-KNQAVFIVSA-N 441.532 2.374 0 40 IEAB Cn1cc(C(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)c2ccccc21 1549162235 SDHHMCJTWKNYJE-HXUWFJFHSA-N 436.512 2.226 0 40 IEAB COc1cc(NC(=O)CSc2nnnn2-c2cc(OC)cc(OC)c2)cc(OC)c1 932262 HFZPAYKLFOTHCH-UHFFFAOYSA-N 431.474 2.428 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 3230522 MQRBDMDEKIVXNU-UHFFFAOYSA-N 437.525 2.264 0 40 IEAB COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)Nc3cc(C)on3)c2=O)cc1OC 3957875 WODHTYOJXCNXJX-UHFFFAOYSA-N 436.424 2.105 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc(-n2cnnn2)c1 9730247 LQVYLSKTIIGYIK-UHFFFAOYSA-N 426.502 2.479 0 40 IEAB CC(C)OCCCn1c(=O)c2ccccc2n2c(CCC(=O)NC[C@H]3CCCO3)nnc12 9831618 XGDUZYJVQKPGFH-QGZVFWFLSA-N 441.532 2.087 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@@H](c2ccc(OC)c(OC)c2)n2nnnc2N1 10232065 MRFXNYMLCDHARI-GOSISDBHSA-N 439.403 2.154 0 40 IEAB CC1CCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 10540975 DVDRKKQMLLOVPM-UHFFFAOYSA-N 443.997 2.213 0 40 IEAB COc1cc(OC)c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1OC 11450835 NMVIOVGKZVKEJG-UHFFFAOYSA-N 440.543 2.357 0 40 IEAB CCn1cc(C(=O)N2CCC[C@]3(C2)NC(=O)c2ccccc2O3)c(=O)c2ccc(C)nc21 12183864 XJWMUMOJZSHHMX-DEOSSOPVSA-N 432.480 2.480 0 40 IEAB COc1cc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C[C@@H]2CCCO2)ccc1O 12525721 CZCWZNFPZXXFLJ-KRWDZBQOSA-N 448.479 2.495 0 40 IEAB C[C@]1(CSc2ccccc2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)NC(=O)NC1=O 12927744 BNFWOLJKFQFEDZ-UZUQRXQVSA-N 438.553 2.381 0 40 IEAB Cc1cccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)c1 13009360 UXYWNYJORBNACD-UHFFFAOYSA-N 426.546 2.407 0 40 IEAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c(OC)c1 13992222 QRPVSRQZMOWFLG-UHFFFAOYSA-N 435.436 2.460 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)CCN4C(C)=O)C2=O)cc1 14139573 GFPCVWSFVSJDPF-HSZRJFAPSA-N 436.468 2.010 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C(C)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 20332297 NKHQJQHABUHZFN-QIYXJHPLSA-N 446.463 2.399 0 40 IEAB CCCCc1ccc(N2C(=O)[C@@H]3[C@H]([C@H](C)O)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 20610656 QWZGSPOLCCGYFU-FYEULFKYSA-N 433.508 2.335 0 40 IEAB biogenic COc1ccccc1[C@H]1N=C2NCN(n3c(C)nnc3C)CN2c2nc3ccccc3n21 20638563 OQSDEISYJFVVLR-FQEVSTJZSA-N 429.488 2.133 0 40 IEAB COc1cc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)cc(OC)c1OC 20649100 UXQOUKFZZCVMHH-UHFFFAOYSA-N 443.500 2.027 0 40 IEAB COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1OC 20724337 PXGONVMCOBNLPY-SFHVURJKSA-N 437.496 2.041 0 40 IEAB Cc1nc2ccccn2c1CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 24923896 URZXEDUTAAPDOY-UHFFFAOYSA-N 442.541 2.311 0 40 IEAB O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2Br)CC1 25106917 WFWROOOMOLBIFZ-UHFFFAOYSA-N 449.330 2.472 0 40 IEAB CCN(CC)Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 31589216 DDPUZHCMRGVDAQ-UHFFFAOYSA-N 446.573 2.147 0 40 IEAB COCCNC(=O)c1nc(-c2ccc(C)cc2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 32616058 IGXKVDSFCRFJLE-QGZVFWFLSA-N 442.541 2.451 0 40 IEAB COc1ccc(S(=O)(=O)NCCNc2cc(-n3ccnc3C)nc(C)n2)c(C)c1C 35598096 XJCODKAIBNVGHT-UHFFFAOYSA-N 430.534 2.295 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccccc1OC 67287459 UYFCAJYZUVLUDS-YWZLYKJASA-N 445.516 2.141 0 40 IEAB COc1ccccc1O[C@H](C)C(=O)N1CCC(c2nnsc2S(C)(=O)=O)CC1 72392516 DPAIEFHWHFHEKK-GFCCVEGCSA-N 425.532 2.124 0 40 IEAB Cc1[nH]cc(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c(=O)c1Br 79111552 NPAXBQVUQYWKFT-UHFFFAOYSA-N 439.697 2.288 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)CC1 96024430 XIDZFPQFOVIABS-UHFFFAOYSA-N 433.534 2.278 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 100771974 SZPHHKGIDOFWOT-NNXHMXCWSA-N 441.569 2.438 0 40 IEAB Cc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)c1 219271055 KTCSXVPQCKVBOD-SFHVURJKSA-N 442.497 2.231 0 40 IEAB COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C3CCN(C(C)=O)CC3)CC2)cs1 225422728 BBNDIEXUPLQQNQ-LJQANCHMSA-N 436.622 2.048 0 40 IEAB biogenic,in-vitro COc1ccc(CN2C(=O)[C@H](CC(=O)NC[C@H]3CCCN4CCCC[C@H]34)N=C2O)cc1 252527507 CSOJIBDUSPFKHQ-YZGWKJHDSA-N 428.533 2.091 0 40 IEAB Cc1cc(C)cc(CN2CC[C@@]3(Cc4nn(Cc5csc(C)n5)c(=O)c(=O)n4C3)C2)c1 306132588 LMZYMXAYPAPSCO-HSZRJFAPSA-N 437.569 2.283 0 40 IEAB O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CCN(Cc3ccccc3F)C1)C2 306140712 VBPGBZPDRGODNT-HSZRJFAPSA-N 428.508 2.299 0 40 IEAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1OCC 408700038 ADIRQMICQUJOQP-UHFFFAOYSA-N 435.521 2.485 0 40 IEAB O=C(c1c[nH]nc1-c1cccnc1)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 544052618 CQIFOOCFEQKJQM-QFIPXVFZSA-N 444.539 2.421 0 40 IEAB Cc1cc(N2CCC[C@](O)(CNC(=O)CCc3nc4cc(Cl)ccc4n3C)C2)ncn1 2037879991 FZQRDWINNRIFTQ-QFIPXVFZSA-N 442.951 2.405 0 40 IEAB CCOC(=O)C1=C(N)Oc2ccccc2[C@@]12C(=O)NC(C)=C2C(=O)OCc1ccccc1 6545800 XQSXMOKGMWTCQN-DEOSSOPVSA-N 434.448 2.197 0 40 IEAB O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)c3ccc(F)cc3)C1)C2)c1cncnc1 8300355 ITAMMAFMMZOZCU-GOEBONIOSA-N 433.443 2.289 0 40 IEAB biogenic,in-vitro O=C(OCn1nnc2ccccc2c1=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 8825326 CQPVJALFUQXBAC-UYRXBGFRSA-N 441.407 2.237 0 40 IEAB O=C(CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1)NC[C@H]1CCCO1 9518612 DIHAOKFZMJQRAG-CYBMUJFWSA-N 444.435 2.406 0 40 IEAB Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)o1 9672743 RSUZMNOZWLKGDP-UHFFFAOYSA-N 445.476 2.280 0 40 IEAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)N1CCc2ccccc2C1 11904743 GVOPZYXZPGPIPW-UHFFFAOYSA-N 434.539 2.117 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccc3c(c2)CCO3)c2c(C(N)=O)nc(-c3cccs3)nc21 12276831 RWQXLYCNGFPAGF-UHFFFAOYSA-N 449.492 2.258 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)C[C@@H](C)O1 13139079 QTFMUTWTGGVABQ-OKILXGFUSA-N 443.485 2.182 0 40 IEAB COC(=O)c1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1 13508241 MUVUGQURUHSXAL-UHFFFAOYSA-N 441.484 2.278 0 40 IEAB CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCC1 13554960 DMEAUVULQLZZBU-APWZRJJASA-N 443.544 2.400 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(N2CCCC2=O)c1 14123364 PFXQDORPNUITKM-UHFFFAOYSA-N 429.498 2.087 0 40 IEAB CCc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 14252313 LJNFLCZEEYDWEM-UZUQRXQVSA-N 426.469 2.227 0 40 IEAB O=C(CN1N=N[C@H]2C(=O)N(c3c(F)c(F)cc(F)c3F)C(=O)[C@@H]21)Nc1cccc(F)c1 18162360 BODXOKUFFXGOPP-GDBMZVCRSA-N 439.300 2.314 0 40 IEAB CN(C(=O)Cn1cccc(C(=O)N[C@H](c2nccn2C)C2CC2)c1=O)C1CCCCC1 19750041 MUYGXLGHJVKMAH-FQEVSTJZSA-N 425.533 2.254 0 40 IEAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 22781704 GQDNYGGQEDPLDO-UHFFFAOYSA-N 448.614 2.289 0 40 IEAB O=C([C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(Cc2ccccc2F)CC1 23440766 XXGKHLNNSHYVEP-GOSISDBHSA-N 439.487 2.294 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CCOc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 24883022 ZIFCSLZWPFFTFH-NRFANRHFSA-N 431.514 2.091 0 40 IEAB Cc1ccccc1OCCOC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 24953871 IQTWURRQWKHAFA-UHFFFAOYSA-N 448.541 2.318 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)CC1 32907643 RGILATKXKRRDEU-UHFFFAOYSA-N 427.473 2.483 0 40 IEAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 32911229 ARYWWIPMWQSFCB-UHFFFAOYSA-N 445.512 2.429 0 40 IEAB C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1 35311612 WEOPMPJZMBWZMC-OXQOHEQNSA-N 437.587 2.460 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(OC)c(OC)c3)n2)c(F)c1 44891291 GHLFFAKFWIBFTL-UHFFFAOYSA-N 427.432 2.392 0 40 IEAB C[C@H]1CN(C(=O)c2ccc(NCc3nnc4n(C)c(=O)c5ccccc5n34)cc2)C[C@@H](C)O1 71987192 ODOZCRQUSVOLPT-IYBDPMFKSA-N 446.511 2.443 0 40 IEAB O=S(=O)(N1CCOCC1)N1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 72371305 OBLZDQWHYRSJLR-OAHLLOKOSA-N 440.953 2.051 0 40 IEAB Cc1cnc(C(=O)N2CCC3(CC2)O[C@H](C(=O)Nc2ccccc2)Cn2ccnc23)cn1 96262961 HOBNAVJVFAQVPH-IBGZPJMESA-N 432.484 2.151 0 40 IEAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1CCCN1CCOCC1 223572488 PUBAGUDYUQACDJ-YADHBBJMSA-N 443.617 2.187 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1Cl)c1ccc2c(c1)OCCO2 223989298 VSVNPMPVRQCEBO-UHFFFAOYSA-N 440.905 2.072 0 40 IEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1F 224494860 FSIHEHXIAGDOAN-UHFFFAOYSA-N 442.896 2.309 0 40 IEAB Cc1ccc(NC(=S)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224499684 UMMBHAOEXSTGDV-UHFFFAOYSA-N 435.571 2.381 0 40 IEAB C[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccccc1F)S(C)(=O)=O 224745371 XGSNAKOTSFPXOR-QGZVFWFLSA-N 449.548 2.129 0 40 IEAB CC(C)CN1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 245229521 AHMYIHLZXLGTIQ-ZJTKBAOVSA-N 443.588 2.301 0 40 IEAB CN1CCN(c2ncc(CNc3cccc(N(CC(N)=O)Cc4ccccc4)c3)cn2)CC1 535834887 YXABKFDRQMQRRY-UHFFFAOYSA-N 445.571 2.332 0 40 IEAB O=C(COc1ccccc1)N1CCCN(c2ccc3nnc(-c4ccncc4)n3n2)CC1 1775974632 YFPNFYIHRDPAKZ-UHFFFAOYSA-N 429.484 2.304 0 40 IEAB Cc1cc(N2CCC[C@@](O)(CNC(=O)CCc3nc4cc(Cl)ccc4n3C)C2)ncn1 2037879990 FZQRDWINNRIFTQ-JOCHJYFZSA-N 442.951 2.405 0 40 IEAB O=C(CSc1nnc(CNc2ccccc2)o1)N1CCN(C(=O)c2ccco2)CC1 1328714 UJHGAQFDFNMHFD-UHFFFAOYSA-N 427.486 2.351 0 40 IEAB Nn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccc(OC(F)F)cc1 2657232 QWNOLVRBVKNYKQ-UHFFFAOYSA-N 446.439 2.338 0 40 IEAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 3332523 PZBOENLSTDJOOG-UHFFFAOYSA-N 442.501 2.113 0 40 IEAB CS(=O)(=O)c1ccc(N2CCN(C3=CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 8771806 WHUAMIOVSMPCFH-UHFFFAOYSA-N 445.928 2.323 0 40 IEAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1 8918048 JZWFWMYSUQZTEL-XIRDDKMYSA-N 439.553 2.240 0 40 IEAB biogenic COc1ccccc1OCC(=O)NCCn1ncc2c(=O)n(Cc3ccc(C)cc3)cnc21 9016311 HYDKDMLVTBQOMD-UHFFFAOYSA-N 447.495 2.154 0 40 IEAB CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)CC(=O)NC(C)C 9441584 VAJLIMDZNHRYPG-UHFFFAOYSA-N 446.573 2.297 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)[C@@H](C)NC(N)=O 9507687 TZTXQNAZCSWARN-SNVBAGLBSA-N 426.882 2.145 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c[nH]c2ccccc12 9508900 DOVHVZFOQFQWBU-UHFFFAOYSA-N 429.498 2.379 0 40 IEAB COc1ccc(CCNC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC 9562153 VUDYVNSYLXMIPQ-UHFFFAOYSA-N 426.469 2.346 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccccc3S(C)(=O)=O)o2)cc1 9707621 FPOKPSMVFKANMC-UHFFFAOYSA-N 449.510 2.251 0 40 IEAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1F 9743670 LCHZKHZNKNBWAE-SFHVURJKSA-N 447.532 2.192 0 40 IEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C 12631168 OQZPYIQZJZSQSZ-OAHLLOKOSA-N 447.513 2.495 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](c1ccccc1)N1CCCC1 12689298 WJTAIAWJXAPETA-OAQYLSRUSA-N 429.542 2.483 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(NC3CC3)s2)C1=O 12756375 BJGQZNACIKADKC-SFHVURJKSA-N 432.531 2.093 0 40 IEAB CC[C@@H](C)N(C(=O)CSc1nnnn1-c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 13039215 FXVLFTDCRPHDLH-HZPDHXFCSA-N 437.591 2.185 0 40 IEAB CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1cc3c(cc1Cl)OCO3)CC2 14535722 UDICZMKOBCESMD-UHFFFAOYSA-N 436.940 2.249 0 40 IEAB COc1ccc(C)cc1NC(=O)CNC(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 18709541 GYIWJWLHFBVKLD-UHFFFAOYSA-N 448.405 2.431 0 40 IEAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 19239479 VJFBBKZRAAERAS-FQEVSTJZSA-N 444.495 2.044 0 40 IEAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(-c2cccnc2)n1 19290307 PDAJWSIGVHPDPU-UHFFFAOYSA-N 445.932 2.282 0 40 IEAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)OCc1cc(Cl)c2c(c1)OCCO2 19358407 YHGODDSEMKHCDM-UHFFFAOYSA-N 442.855 2.226 0 40 IEAB Cc1ccc(CN(c2ccc(OCC(=O)N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 22231797 UVIJZSFGOHGPJI-UHFFFAOYSA-N 431.558 2.114 0 40 IEAB COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1 24782586 HLQGHDWPJRRESR-QGZVFWFLSA-N 438.436 2.266 0 40 IEAB CCCC[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 25115958 DBNWKPVZHQEPAY-OSPHWJPCSA-N 435.480 2.281 0 40 IEAB O=C1C[C@@H](C(=O)OCc2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccc(F)cc2N1 32885478 ADURDCYFVHQEMF-GOSISDBHSA-N 448.472 2.016 0 40 IEAB COc1ccc(OC)c2sc(N(CCN3CCOCC3)C(=O)c3snnc3C)nc12 36716116 UBEZQBAIJWRTIA-UHFFFAOYSA-N 449.558 2.452 0 40 IEAB Cc1noc(C)c1CCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382399 JOLCSCPXLAHCAM-RBUKOAKNSA-N 425.485 2.427 0 40 IEAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 48375010 MAZZTAQCXDNMGU-DYVFJYSZSA-N 432.468 2.192 0 40 IEAB CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1 59849845 AKPBNWLPHXQNPO-UHFFFAOYSA-N 434.338 2.123 0 40 IEAB COc1ccc(CN2CCCN(C(=O)Cc3c(C)nc(-c4ccccn4)[nH]c3=O)CC2)cc1 69979567 ZZCHKEGOJLEQDZ-UHFFFAOYSA-N 447.539 2.426 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(C(=O)Nc4nccs4)n3)C2)c1 72357446 KKKFWHAUAPATAC-CYBMUJFWSA-N 432.531 2.092 0 40 IEAB C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 79023645 KMFRCTIBQVQJDS-INIZCTEOSA-N 445.951 2.005 0 40 IEAB CC[C@@H](C)NC(=O)CN1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 97477622 CZDLMEVXMYTFKY-CQSZACIVSA-N 445.427 2.001 0 40 IEAB CC(C)Oc1ccccc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224481426 GKIXVTNQAZIYPY-UHFFFAOYSA-N 448.541 2.304 0 40 IEAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 225009503 OUVWVBRVRRXQGC-INIZCTEOSA-N 433.530 2.325 0 40 IEAB C[C@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225939990 ONDAQFMXLVKVKK-INIZCTEOSA-N 427.578 2.431 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccc(CC(N)=O)cc1)Cc1ccc(Cl)c(Cl)c1 226063395 FGBWQDQGNWVLQB-UHFFFAOYSA-N 444.340 2.422 0 40 IEAB Cc1cc(N2CCC[C@](O)(CNC(=O)Cn3c(C(F)(F)F)nc4ccccc43)C2)ncn1 257299129 ROVOVILUXRRVRI-FQEVSTJZSA-N 448.449 2.301 0 40 IEAB O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)o1 512684815 IFVIDUPTBOAYKX-HDICACEKSA-N 446.511 2.087 0 40 IEAB Cn1c(CN2Cc3cn(nn3)CC(=O)NCCOc3ccccc3C2)cc2ccccc21 643566908 ZFVHVSMQFHTINY-UHFFFAOYSA-N 430.512 2.481 0 40 IEAB COc1cccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2)c1 1619364660 XCMZDHWDMJIHFJ-GDBMZVCRSA-N 439.607 2.286 0 40 IEAB COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1OC 665065 NJWXIORPUJCOOD-UHFFFAOYSA-N 429.292 2.383 0 40 IEAB CCOCCn1c(=O)c2c(nc3n(-c4ccccc4OCC)c(C)c(C)n23)n(C)c1=O 4370539 NROBMAPSKQNQBF-UHFFFAOYSA-N 425.489 2.191 0 40 IEAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N(C)C1CCCCC1 7985235 PCUWXFRYMZJVBJ-OAHLLOKOSA-N 427.592 2.374 0 40 IEAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 8791590 VETIPRLHUXVWSV-HBIPQXQFSA-N 425.466 2.124 0 40 IEAB biogenic CC(=O)N1C[C@H](C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCC4)Oc2ccccc21 9712564 MWDXYCYGKOAVTL-OAHLLOKOSA-N 425.466 2.331 0 40 IEAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)cc1 9787202 RSODJEJEPWZLBL-HNNXBMFYSA-N 429.498 2.384 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccc(F)cc2)c1 9807175 LCWKZVNFQYIIOU-LJQANCHMSA-N 447.532 2.028 0 40 IEAB Cc1ccccc1OCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 11665856 FUMSWYZXPRPISM-UHFFFAOYSA-N 447.474 2.386 0 40 IEAB CCc1c(C)nc2cc([C@H]3CCCN(C(=O)c4cnc5ccccn5c4=O)C3)nn2c1O 12134750 QEWGIAPYUPTVKR-HNNXBMFYSA-N 432.484 2.333 0 40 IEAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 12590233 XLIYJJJNRAGQIF-ZHRRBRCNSA-N 427.457 2.428 0 40 IEAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 12590239 XLIYJJJNRAGQIF-OPAMFIHVSA-N 427.457 2.428 0 40 IEAB COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C 15721230 KJJKZHILDMSZOS-ULQDDVLXSA-N 441.569 2.231 0 40 IEAB in-vitro CSCC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15959481 VKHSBEXGLVXDJD-FDGPYGQJSA-N 435.549 2.403 0 40 IEAB biogenic O=C([C@H]1CCCO1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343628 ZJIIOYLHBBGZEX-DNVCBOLYSA-N 428.558 2.275 0 40 IEAB COc1cc(C(=O)N2CCO[C@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)ccn1 19550297 ODKYZUQODMPPBU-DEOSSOPVSA-N 432.480 2.091 0 40 IEAB Cc1nc2cc(C(=O)N[C@@H]3CCc4ccc(S(=O)(=O)N5CCOCC5)cc43)ccc2[nH]1 19749616 BGLFYKADZMXQON-LJQANCHMSA-N 440.525 2.310 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2ccc(OC)c(OC)c2)cc1 20013912 LSQFFCSMHDAMPF-UHFFFAOYSA-N 436.530 2.430 0 40 IEAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCCC3)nc2)cc1OC 22389713 XSNXPSHLNGJFOS-UHFFFAOYSA-N 434.518 2.006 0 40 IEAB NC(=O)Cn1c(CN2CCN(Cc3cccc4ccccc34)CC2)nc2ccccc2c1=O 22803654 OBGFSWHMFMRRAH-UHFFFAOYSA-N 441.535 2.353 0 40 IEAB CC(C)c1ccc(CCNC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)cc1 22915145 DWTVSYFPMKDWGR-UHFFFAOYSA-N 428.621 2.489 0 40 IEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 23642500 LQYONNLRGXIXMM-UHFFFAOYSA-N 448.951 2.118 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)NCc2ccc(F)cc2)cc1 39657704 SUULXTXHNHMMIT-LJQANCHMSA-N 434.489 2.147 0 40 IEAB CNc1cc([C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)nc(CN(C)C(C)=O)n1 72370134 JQZQDSUIGDVZRZ-INIZCTEOSA-N 447.561 2.074 0 40 IEAB CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(Cc3cnn(C)c3)CC2)C1 72372421 LJXULDCESJQIQN-JOCHJYFZSA-N 437.588 2.456 0 40 IEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1cccc(OC)c1 225153639 ALGZCNUERPITLI-HXUWFJFHSA-N 436.530 2.444 0 40 IEAB COc1ccc(OC)c(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409131813 OXVFLORRAWWTDU-UHFFFAOYSA-N 438.502 2.005 0 40 IEAB COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2cc(OC)c3c(c2)OCO3)c1O 1547208964 YPAFNFPJIHPVMR-HNNXBMFYSA-N 433.457 2.331 0 40 IEAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)Nc1ccc(C)c(Cl)c1)CC2 1772595452 YLKBDJKFHOSVRN-LJQANCHMSA-N 449.983 2.077 0 40 IEAB CCn1nc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)c1C 1888914221 ZRLHKSNNCIMHRK-IRXDYDNUSA-N 428.562 2.163 0 40 IEAB CC(C)c1ccc(CN2CCC[C@@]3(CC(C(=O)N[C@@H]4CCS(=O)(=O)C4)=NO3)C2)cc1 2056226424 RCHQSTJHGUNSSP-DENIHFKCSA-N 433.574 2.224 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)C2CCCCC2)cc1OC 780673 REKKRNKSKZROIF-QGZVFWFLSA-N 440.562 2.322 0 40 IEAB COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2c1CCN(C)C2 3006867 ZFQJZFFZTNJGDE-UHFFFAOYSA-N 437.543 2.025 0 40 IEAB Cc1cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 8973396 ZEDNJPSCTWAWIZ-INIZCTEOSA-N 427.892 2.339 0 40 IEAB Cc1cccc(N2CCN(C(=O)[C@H](NC3=NS(=O)(=O)c4ccccc43)C(C)C)CC2)c1 9313807 AXJULEMUDXPRSZ-OAQYLSRUSA-N 440.569 2.407 0 40 IEAB COc1ccccc1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9410470 HOROKRYWRRQOCS-UHFFFAOYSA-N 445.541 2.241 0 40 IEAB CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(C)c(C)c1 10385396 XDORNJSACMABIC-KRWDZBQOSA-N 443.548 2.472 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(N2CCCC2=O)cc1 10454409 FLOWFQQKTHWJSZ-LJQANCHMSA-N 435.571 2.494 0 40 IEAB COc1ccc2c(c1)CCN(S(=O)(=O)CCNC(=O)COc1ccc(Cl)cc1)C2 10705160 VGZHEYFFYQNRBY-UHFFFAOYSA-N 438.933 2.232 0 40 IEAB CN(C)c1nc(N)nc(COC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)n1 12510375 JLYBUSHCYLWJEJ-UHFFFAOYSA-N 440.529 2.442 0 40 IEAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1=O 13164061 MKYCXRZRDWBMGA-FUHWJXTLSA-N 447.582 2.191 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2cc(=O)oc3cc(O)ccc23)CC1 17523452 BXOGOKWYYVENDS-UHFFFAOYSA-N 433.486 2.000 0 40 IEAB CC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)c2cnn(-c3cccc(F)c3)c2N)CC1 19016742 LQWSDMQHLQAJNL-IBGZPJMESA-N 427.480 2.026 0 40 IEAB O=C(c1ccncc1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699444 HNJJYNRQEMWNLI-UHFFFAOYSA-N 447.539 2.273 0 40 IEAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC(=O)NCc1cccs1 21740933 SWXXCJARWXTSEE-INIZCTEOSA-N 449.554 2.169 0 40 IEAB O=C1C(=O)N(CN2CCN(Cc3nc4ccccc4s3)CC2)C(=O)N1Cc1ccccc1 22933441 VMCRTPPFRFIJRT-UHFFFAOYSA-N 449.536 2.362 0 40 IEAB C[C@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 23270908 DOIOXXQQZZVRSB-AAEUAGOBSA-N 444.966 2.163 0 40 IEAB O=C(c1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 32740929 GWLNSQLRPUJIIM-UHFFFAOYSA-N 434.424 2.162 0 40 IEAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(Cc3cccnc3)CC2)c2ccc(F)cc21 36358880 PFSBMPAQRGEIOX-OAQYLSRUSA-N 426.448 2.204 0 40 IEAB CC1(C)NC(=O)N(CCCSc2ccc(S(=O)(=O)N3CCCCC3)cn2)C1=O 40089677 RCDRPHDFERDFAG-UHFFFAOYSA-N 426.564 2.069 0 40 IEAB CC(C)Cn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952476 BALSNZCYIAFYQC-UHFFFAOYSA-N 430.940 2.055 0 40 IEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)NC2CCCCC2)c1 71772487 CSGSRNIRMSVCNQ-MRXNPFEDSA-N 446.573 2.409 0 40 IEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)Nc1ccc3c(c1)OCO3)C2=O 89920199 IYWFLKOGVJVAID-DMZKTXOQSA-N 445.472 2.034 0 40 IEAB C[C@H](C(=O)Nc1cccc(Br)c1)N1CCN(CC(=O)N2CCCCC2)CC1 95946692 NGWNMMCMNTVQCL-MRXNPFEDSA-N 437.382 2.406 0 40 IEAB Cn1nc2cc(Br)ccc2c1C(=O)N1CC(S(=O)(=O)Cc2ccco2)C1 96122088 YTBVOIBRPRXLQF-UHFFFAOYSA-N 438.303 2.368 0 40 IEAB COc1ccc(S(=O)(=O)NCCCN(C)c2ccccc2)cc1N1C(=O)CCC1=O 223357580 UYEAZIQOKRYYNZ-UHFFFAOYSA-N 431.514 2.153 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)ccc21 225112740 NQBAVSPQQRAIBN-UHFFFAOYSA-N 431.495 2.256 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCC[C@@H](C)C3)CC2)cc1 225501029 TWVNPMFOZKGEJS-GOSISDBHSA-N 437.606 2.334 0 40 IEAB COc1cc(/C=C/C(=O)NCCN2c3ccccc3N(C)S2(=O)=O)cc(OC)c1OC 253471617 DKBYJZCEOBAWQV-MDZDMXLPSA-N 447.513 2.043 0 40 IEAB O=C(NN=Cc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@@H](O)COCc2ccccc2)CC1 254840424 BKUFLSGDQZEVAA-JOCHJYFZSA-N 440.500 2.335 0 40 IEAB CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@@H](Cc2cccc3cccnc23)C1 257304307 SKZBOLJVQMJVLQ-FQEVSTJZSA-N 432.572 2.468 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 408622810 RKBVYTAQJALJTN-UHFFFAOYSA-N 436.486 2.204 0 40 IEAB Cc1noc(CCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)n1 524735262 MJEHBWYVOLBQBH-OAQYLSRUSA-N 431.452 2.242 0 40 IEAB CNC(=O)[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)CCN1Cc1ccccc1 585261822 RSZUUUXGYLSPNT-QFIPXVFZSA-N 439.531 2.333 0 40 IEAB COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2OC)cc1 932191 SGTNOBHLDDXHQE-UHFFFAOYSA-N 429.458 2.197 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(F)(F)F)c1 3329157 IEWSNOYWOAAHHO-UHFFFAOYSA-N 430.404 2.347 0 40 IEAB CNC(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 3342997 YBORLVHOMXDYGU-UHFFFAOYSA-N 431.297 2.375 0 40 IEAB C[C@@H]1CN(C(=O)COC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)C[C@@H](C)O1 9493590 GCZKHSQTFNHBLM-HZPDHXFCSA-N 436.464 2.275 0 40 IEAB O=C(NCCOc1ccccc1F)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 9913049 XTBDBJMPMBQINB-UHFFFAOYSA-N 431.489 2.182 0 40 IEAB CCN(CC)CCn1c(C)cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc12 10233414 HUXOFFMXBGRMMH-UHFFFAOYSA-N 436.560 2.432 0 40 IEAB CS(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 10337478 GSYPKSXRQFNGJA-UHFFFAOYSA-N 440.518 2.269 0 40 IEAB Cn1ncc2c(=O)n(CC(=O)/N=c3/sccn3Cc3ccc(Cl)cc3Cl)cnc21 11413332 GHJZOEAIOSJBFI-PTGBLXJZSA-N 449.323 2.476 0 40 IEAB Cc1cccc(CC(=O)NCCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 11796241 OXBMCZRHPGWZPF-UHFFFAOYSA-N 433.549 2.335 0 40 IEAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NC[C@@H]1CCCO1 12233368 GYTRUJUUEBRDOT-CABCVRRESA-N 429.477 2.053 0 40 IEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@@H](C(=O)OC)[C@@H]1c1ccc(C(=O)OC)cc1 12402739 DHTOEOYYVHNGHH-WOJBJXKFSA-N 429.469 2.065 0 40 IEAB CC(C)(C)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 12444729 XUFPKRXSXKBOGA-UHFFFAOYSA-N 430.574 2.261 0 40 IEAB COc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)c4ccc(OC)cc4)CN3C)n2)cc1 12529934 OZYMVDUZRPKFBJ-KXBFYZLASA-N 444.513 2.478 0 40 IEAB biogenic,in-vitro COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)NCc1ccc3c(c1)OCO3)CC2 12895676 VSUUFVFYVLOFPS-UHFFFAOYSA-N 441.484 2.207 0 40 IEAB biogenic C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 12904661 JYDVMRKAXGECKX-OAHLLOKOSA-N 449.504 2.374 0 40 IEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12927642 KMYCLQMQEMXUQA-LSDHHAIUSA-N 440.452 2.390 0 40 IEAB O=C(c1ccco1)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 13038276 PSNSNCGPSQFRQK-UHFFFAOYSA-N 427.320 2.274 0 40 IEAB COc1ccc(CCNC(=O)CCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1OC 13576411 NIEXSPIMMFSJAR-IBGZPJMESA-N 437.496 2.142 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 16800601 GRZZZQUUCODOAY-XOBRGWDASA-N 448.479 2.132 0 40 IEAB Cc1ccc2c(c1)C(=O)N[C@]1(CCC(=O)N(CC(=O)NCc3ccccc3F)CC1)O2 19218844 QGUZJGRBTAZAHC-HSZRJFAPSA-N 425.460 2.282 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)c3ccccc3OCC)C1)C2=O 19700770 HAPFAZLLAIMLEM-QGZVFWFLSA-N 428.533 2.096 0 40 IEAB CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3nn(CC)cc32)cc1 21713704 FYQKBYFOFXYLLG-UHFFFAOYSA-N 447.495 2.465 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 22514430 LXYRTMZAADBJHP-UHFFFAOYSA-N 439.559 2.220 0 40 IEAB COc1ccc([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CCN(C)CC2)cc1 22795307 UVIXCZVLCKSBQI-JOCHJYFZSA-N 428.577 2.107 0 40 IEAB COc1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCN(C)CC2)cc1 22795357 MMPTXIFPFVHGOY-NRFANRHFSA-N 444.963 2.070 0 40 IEAB COc1cccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCOCC2)c1 23107061 FDPZENNFHBZYEZ-FQEVSTJZSA-N 431.920 2.155 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCCn2cnc3c(C)cccc3c2=O)C1=O 24616780 KJJITAIIVLXVRJ-DEOSSOPVSA-N 447.495 2.374 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3sccc3C2)o1 30685282 SMMAQTUWEAFITR-CQSZACIVSA-N 438.527 2.256 0 40 IEAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2CC(N)=O)c1 32741944 WDKSCOJVKHXKPM-UHFFFAOYSA-N 439.497 2.241 0 40 IEAB CCCCc1ccc(N2C[C@@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 32795527 SHBOPNLEPAPQMH-SFHVURJKSA-N 429.542 2.346 0 40 IEAB CC[C@]1(C)NC(=O)N(N/C=C2/C(=O)N(c3ccc(Cl)cn3)C(=O)c3ccccc32)C1=O 33014875 OZQKMRRIMBYCMO-GLHYLFFDSA-N 439.859 2.488 0 40 IEAB O=C(Cn1nc2c3sc(N4CCCC4)nc3ncn2c1=O)Nc1ccccc1Cl 33309048 AQECEQUPXHBQKK-UHFFFAOYSA-N 429.893 2.393 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 38946956 RDQXOKBPBNPOCJ-RTWAWAEBSA-N 444.528 2.464 0 40 IEAB Cc1noc(C)c1CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)CC1 40108774 JWBBOUMHQJMGNX-UHFFFAOYSA-N 436.534 2.017 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(=O)c4ccccc43)CC2)c(C)c1 48288141 KJCDYQYIZASYCL-UHFFFAOYSA-N 439.537 2.151 0 40 IEAB Cc1c(CCC(=O)NCc2ccnc(OCc3ccccc3)c2)c(=O)[nH]c2c1c(=O)[nH]n2C 48341140 SZWKHIDUYDETTC-UHFFFAOYSA-N 447.495 2.086 0 40 IEAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)N[C@H]1CCc2ccccc21 57520392 PTKZRZUBPOPDBW-KRWDZBQOSA-N 434.525 2.450 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3COCC(=O)N3Cc3cccs3)CC2)cc1 90608520 BDNCJQHLHRTIJN-FQEVSTJZSA-N 427.526 2.027 0 40 IEAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(OC)c1 95464079 LJZPJIRZLHOQEW-GOSISDBHSA-N 448.497 2.090 0 40 IEAB COc1ccccc1N(C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C1=NCCCS1 102228086 WUTCKOUHBVYMGF-LSOMNZGLSA-N 425.510 2.328 0 40 IEAB O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)CC1 102315568 GUDUKRWFEBJWIE-SGMGOOAPSA-N 433.521 2.473 0 40 IEAB CCCC[Sn](CCCC)(SC[C@@H](O)CO)SC[C@@H](O)CO 195915436 BPZBMXMGCUKIDL-WJMANXHKSA-L 447.251 2.202 0 40 IEAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1N(C)S(C)(=O)=O 222456106 JQOCZRLQASYRJN-UHFFFAOYSA-N 431.514 2.116 0 40 IEAB CCOc1ccc(-c2noc(CN(C)C(=O)c3cccc(S(=O)(=O)NC)c3)n2)cc1 225417660 BAIMFQGGIGLQCK-UHFFFAOYSA-N 430.486 2.316 0 40 IEAB COc1ccc([C@H](CC(=O)N2CCN(c3ccccc3F)CC2)NS(C)(=O)=O)cc1 225957043 QPWGQEQIKLIYEO-IBGZPJMESA-N 435.521 2.164 0 40 IEAB COc1ccc(S(=O)(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)cc1OC 390830692 MQWGJBJKNNASQT-QGZVFWFLSA-N 431.557 2.316 0 40 IEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 575423542 GGRKLSFBURAZJG-QGZVFWFLSA-N 436.511 2.160 0 40 IEAB O=C(CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N[C@@H](CO)c1ccccc1 1565537899 INJMWNRTRNPIEF-RTWAWAEBSA-N 434.496 2.261 0 40 IEAB biogenic COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC2)cc1OC(F)F 1730154568 WYPGCFPMAAKPIJ-GFCCVEGCSA-N 445.492 2.147 0 40 IEAB COCCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 2972079 OECLEYXYYSAPNP-UHFFFAOYSA-N 441.509 2.418 0 40 IEAB O=C1NC(=O)[C@@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 4128212 CYAAMPQBSHNNKR-GOSISDBHSA-N 444.532 2.358 0 40 IEAB O=C(NC1CCCCC1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1SCc1ccco1 4259312 HGKANWOVJLJIKB-YLFCFFPRSA-N 435.506 2.325 0 40 IEAB biogenic,in-vitro CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C 6198426 ITVFXPYTAQEJBD-UHFFFAOYSA-N 441.435 2.203 0 40 IEAB COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCCN(C)C)cc2c1 6198520 FZPAYRBKMCICTE-IBGZPJMESA-N 432.590 2.344 0 40 IEAB Cc1cc(C)c(OCC(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(C)c1 6551751 XSUGDMSSORTIID-SFHVURJKSA-N 425.547 2.206 0 40 IEAB CCOC(=O)[C@@H](C)Sc1ccc2nnc(CCNC(=O)c3ccc(OC)cc3)n2n1 9578656 SPVTUANMEFQOHU-CYBMUJFWSA-N 429.502 2.149 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccnn3C3CCCC3)c2)CC1 9596677 DBAWKVVRYDLZFW-UHFFFAOYSA-N 445.545 2.103 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCCO4)C2=O)cc1 9604881 RBOCYTGAQVIONS-QFIPXVFZSA-N 425.441 2.262 0 40 IEAB COc1ccc(NC(C)=O)cc1N[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 9764420 XACUWODWHQHCMX-SFHVURJKSA-N 441.484 2.453 0 40 IEAB COCCn1c(SCC(=O)Nc2nc(OC)cc(OC)n2)nnc1-c1cccc(C)c1 10620522 WGAFMHLURYVSDS-UHFFFAOYSA-N 444.517 2.438 0 40 IEAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)OCc1nnc2n(C)c(=O)c3ccccc3n12 12017398 XPWBRFJWWUEFFB-IBGZPJMESA-N 439.516 2.346 0 40 IEAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1n[nH]c(=O)c2ccccc12 12182435 XNOZZXRXQPAHOG-CQSZACIVSA-N 435.509 2.346 0 40 IEAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCCc2ccccc2OC)c3=O)cc1 12234155 NSEQDLCXZSTYEX-UHFFFAOYSA-N 435.484 2.170 0 40 IEAB NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccccc2)c2ccc(Cl)cc2)c1N 12705677 GJRUJAKCXYDQCX-UHFFFAOYSA-N 443.916 2.441 0 40 IEAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1OC 12783882 QTWWNRXGBUOTPF-UHFFFAOYSA-N 426.441 2.129 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1 12796465 RGKUIENLAPBLSP-KCYZZUKISA-N 438.546 2.277 0 40 IEAB CC1(C)NC(=O)N(CCCC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)C1=O 12819870 MUCUIEAKZFULDH-UHFFFAOYSA-N 429.546 2.051 0 40 IEAB Cc1cc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)no1 12884937 MKQWVXSPTWKGIM-UHFFFAOYSA-N 428.514 2.471 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCN1C(=O)COc2ccccc21 13013172 SHVPUNGSORMDHB-UHFFFAOYSA-N 428.441 2.350 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 14663413 GACHUGRJKYOEHC-UHFFFAOYSA-N 432.498 2.363 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)cc1 15421126 QURWVQRVWKZKSU-UHFFFAOYSA-N 431.514 2.190 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1C 15884107 GKSYQOIBQNFCQW-UHFFFAOYSA-N 449.540 2.338 0 40 IEAB COc1ccc([C@H](CNS(=O)(=O)c2ccc(OC)c(C)c2)N2CCN(C)CC2)cc1 22579370 HEXODJYMUJNSMO-NRFANRHFSA-N 433.574 2.279 0 40 IEAB CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CCN(C(=O)c2cccs2)CC1 23260114 QYPDHZIUOSXQLR-UHFFFAOYSA-N 434.949 2.256 0 40 IEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 28209592 XBJZGPOAYJYBAB-FQEVSTJZSA-N 445.516 2.163 0 40 IEAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)CCN1 32755100 WXHILFZTSKCMAI-UHFFFAOYSA-N 442.324 2.044 0 40 IEAB O=C(Nc1cccnc1N1CCCC1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 32931719 LOGZAZKIAZSRFM-UHFFFAOYSA-N 439.541 2.481 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC[C@@H]1c1cccs1 35268098 FRIPIMFUFGLUFK-OAHLLOKOSA-N 425.601 2.480 0 40 IEAB CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)n1cncn1 40151242 UFSNSCRIYHHMCS-OAHLLOKOSA-N 446.360 2.315 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(NC3CCN(Cc4ccc(F)cc4)CC3)nc2)CC1 48326547 UFYORCGUIVQLFY-UHFFFAOYSA-N 447.580 2.233 0 40 IEAB CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4ccccn4)CC3)=C2C(=O)OC)cc1 57415291 IGSCYXUOAFKMJF-QFIPXVFZSA-N 435.528 2.247 0 40 IEAB CN(C)S(=O)(=O)c1ccc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)cc1 58177698 HBXBXVPFXURQAN-UHFFFAOYSA-N 439.501 2.473 0 40 IEAB Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(-n5cnnn5)cc4)C3)nn2)n1 62164411 MSMHXKXWQAQIDW-QGZVFWFLSA-N 444.503 2.110 0 40 IEAB Cc1nc2cc(C(=O)N3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)ccc2[nH]1 72338792 STWAMIOUDLDNOR-HXUWFJFHSA-N 425.514 2.454 0 40 IEAB Cc1nnc2ccc(-c3ccc(NC(=O)[C@H]4CCCN(c5ccc(=O)n(C)n5)C4)cc3)nn12 77100984 IUVCHQRJTOKMOA-KRWDZBQOSA-N 444.499 2.049 0 40 IEAB COC(=O)C[C@H](c1cc(OC)c2c(c1)OCO2)c1c(O)nc2ccc(Cl)cn2c1=O 96113718 STUQTWAGPQCBNK-GFCCVEGCSA-N 432.816 2.486 0 40 IEAB biogenic O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2ccccc2Br)C1 96377735 XBJPLWOEWVHMKZ-UHFFFAOYSA-N 434.308 2.435 0 40 IEAB Cc1cccc(-c2noc(CNC(=O)[C@H]3CCN(S(C)(=O)=O)c4ccccc4O3)n2)c1 222749714 QXOVNEOHAMQLMU-GOSISDBHSA-N 442.497 2.279 0 40 IEAB COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1C 225152237 RSAYYSHDBXJLRI-UHFFFAOYSA-N 434.514 2.214 0 40 IEAB CCn1c(CCC(=O)N2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)nc2ccccc21 257256414 KLJXVMCVRWJXMF-FGZHOGPDSA-N 445.523 2.487 0 40 IEAB CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NC[C@H]3CCCO3)cn12 306134623 NTSGFGPJYWKMJG-WOJBJXKFSA-N 426.565 2.115 0 40 IEAB O=c1c2ccccc2ncn1[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 575616299 IPTXUSFWMPXDQT-ZDUSSCGKSA-N 427.511 2.427 0 40 IEAB CC(=O)N[C@@H]1C(=O)N=C(SCC(=O)N[C@H](C)c2ccccc2)N(c2ccccc2)C1=O 2769761 VAXZPDMUADBGJV-AUUYWEPGSA-N 438.509 2.031 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)N(CCCO)Cc2cc3cc(C)ccc3[nH]c2=O)c1 6408140 ORRPOAMIIVYCDJ-UHFFFAOYSA-N 444.509 2.196 0 40 IEAB O[C@H](COCCOc1ccc(Br)cc1)CN1CCN(c2ccccn2)CC1 8385272 MPFOFCAAJQPJGC-SFHVURJKSA-N 436.350 2.423 0 40 IEAB CCOC(=O)N1CCN(C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)CC1 8825765 VERGYMPKTCHEGS-UHFFFAOYSA-N 431.514 2.479 0 40 IEAB CCN(C(=O)CSc1nnc(-c2ccco2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 8936486 BMHYSRJWVNHUBP-AWEZNQCLSA-N 426.564 2.322 0 40 IEAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 9536318 ONIAJMAHCFHWIL-XDHUDOTRSA-N 435.480 2.068 0 40 IEAB Cc1cc(C(=O)Cn2c(=O)c(N3CCCCC3)c(N)n(C)c2=O)c(C)n1Cc1ccco1 9990466 PLNORSFGTVYHQA-UHFFFAOYSA-N 439.516 2.062 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1N 10921753 OQHSYPQBQJZSIP-UHFFFAOYSA-N 441.513 2.499 0 40 IEAB COc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3c(c2=O)S[C@H](C)C3)cc1 11726678 CTFIFXOSTGWTHL-CYBMUJFWSA-N 433.555 2.229 0 40 IEAB CCN(CC)CCN1C(=O)[C@@H]2CN(C(=O)c3ccncc3)C[C@]2(C)NC(=O)c2ccccc21 12231895 XOUMACFGYTZGSV-CPJSRVTESA-N 449.555 2.031 0 40 IEAB C[C@@]1(CSc2ccccc2C(=O)N2CCN(Cc3cccs3)CC2)NC(=O)NC1=O 12759760 QLENVDMFFLURIE-NRFANRHFSA-N 444.582 2.396 0 40 IEAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12975152 MGWYAAXAXMPSAT-KSSFIOAISA-N 431.961 2.480 0 40 IEAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13029945 XMFLADOFOPLJMR-UHFFFAOYSA-N 440.518 2.413 0 40 IEAB CC[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cnc2ccccc2c1=O 13721240 LUTVHAQFBTVVQY-HXUWFJFHSA-N 434.496 2.421 0 40 IEAB CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1ccccc1OC 15143994 QOXMSQPNGREGNL-UHFFFAOYSA-N 428.445 2.033 0 40 IEAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(C)[nH]c(=O)[nH]c2=O)o1 16006999 DKURWHGUBBGQHG-LLVKDONJSA-N 443.551 2.366 0 40 IEAB COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2cccc3nsnc23)cc1 19077560 ZLHQLIYXHGUNOM-YKWSONSWSA-N 440.481 2.400 0 40 IEAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2cc(=O)n(C)c(=O)[nH]2)n1 19525568 VIHRGUOPAMAGOZ-SFHVURJKSA-N 434.500 2.246 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(OC)c1OC 20761967 SBXSDULAFLHQOV-YJBOKZPZSA-N 448.545 2.379 0 40 IEAB biogenic COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 30757806 JIOKDZWNBKLPLK-UHFFFAOYSA-N 426.516 2.289 0 40 IEAB Cc1ccc(Nc2nc(N)nc(COC(=O)C3CCN(C(=O)NC(C)C)CC3)n2)cc1 32933319 WHPWQELJQCKOSA-UHFFFAOYSA-N 427.509 2.379 0 40 IEAB CC(C)OC(=O)c1cccc(-c2nnn(Cc3ccc(S(=O)(=O)N4CCCC4)o3)n2)c1 40114316 FAJGBNVWFZFYLS-UHFFFAOYSA-N 445.501 2.331 0 40 IEAB COC(=O)c1cn(Cc2cccc(Br)c2)nc1S(=O)(=O)N1CCCC1 49402075 AJDSJNBAWYOXFZ-UHFFFAOYSA-N 428.308 2.265 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(C)n3-c3ccccc3)CC2)cc1 78899730 HAKYXORUFYCENB-UHFFFAOYSA-N 440.525 2.336 0 40 IEAB COc1cc([C@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc(OC)c1OC 96115433 MOXMZLJSNNCXKU-HNNXBMFYSA-N 433.457 2.060 0 40 IEAB biogenic Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@H]3C(=O)O)cc2)n1 217403970 YRDYXRXWPWGRKW-MJSCVDMRSA-N 442.497 2.356 0 40 IEAB Cc1cccc(-c2noc(CNC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)n2)c1 219400345 HJIBWGNTWVJTHC-GOSISDBHSA-N 442.497 2.197 0 40 IEAB CCSc1nnc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)s1 222538918 NYJFRGPZDRAVJU-UHFFFAOYSA-N 432.549 2.072 0 40 IEAB COc1ccccc1OCCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 223873233 JRBZJGLUXCIPSS-UHFFFAOYSA-N 430.885 2.449 0 40 IEAB Cc1nccn1Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 224270648 ITGKBVMWRXKOOA-UHFFFAOYSA-N 442.541 2.299 0 40 IEAB CC(C)Oc1cccc(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)c1 260905663 RLKXZQLIGMGHFW-SFHVURJKSA-N 434.514 2.196 0 40 IEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c(C)c1 408614350 BFBKVKFQTQTQAE-QZTJIDSGSA-N 439.512 2.171 0 40 IEAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(I)c1OC 409140520 FFEVEEPSOQNQRX-BJMVGYQFSA-N 449.222 2.429 0 40 IEAB O=C(NCC[C@H](NC(=O)c1cnn2ccncc12)c1ccccc1)c1cnn2ccncc12 504777500 UDZNXRMDFRBSHP-IBGZPJMESA-N 440.467 2.063 0 40 IEAB CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)[C@@]1(O)CCN(Cc2ccccc2)C1 531049171 KLJGGQPKHJQRLV-HSZRJFAPSA-N 445.585 2.017 0 40 IEAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)CCCn1cncn1)C2 643575715 IXWHOXBMTXEZBZ-UHFFFAOYSA-N 429.521 2.165 0 40 IEAB COc1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC 3241009 RIANBLVHOWPKLP-UHFFFAOYSA-N 430.457 2.345 0 40 IEAB O=c1[nH]c2cc3c(cc2cc1CN(CCO)C(=S)NCCc1ccccc1)OCCO3 6446451 CJQKPYTVYMLXAG-UHFFFAOYSA-N 439.537 2.211 0 40 IEAB O=C(NCCCO)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 8916173 VDFWCHYCMRGYFV-YBEGLDIGSA-N 447.285 2.447 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccncc3)c(=O)c2[C@@H]1c1ccc(OC)cc1 9242810 ZDSHNABCTJAVDT-IBGZPJMESA-N 433.464 2.476 0 40 IEAB CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)CC1 9338016 BMZICYREJDENJR-UHFFFAOYSA-N 425.514 2.472 0 40 IEAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ncccn2)CC1 9545412 LVKCTGBSLINBIA-UHFFFAOYSA-N 449.964 2.267 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)Nc4ccccc4C(N)=O)CC3)CC2=O)cc1 9582184 LJCSTBHWAVWCHM-SFHVURJKSA-N 448.523 2.324 0 40 IEAB CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)C1=NS(=O)(=O)c2ccccc21 9690117 FVKLMAZGGXHCPY-QGZVFWFLSA-N 441.509 2.202 0 40 IEAB CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(C(=O)OC)Nc3nnnn32)cc1 10232320 BGHIFPKBSWKKGX-IBGZPJMESA-N 435.440 2.405 0 40 IEAB CCOC(=O)Cn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc12 10233728 QKRNECXDWYJVHR-UHFFFAOYSA-N 443.891 2.031 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(NC3CC3)s2)C1=O 12756379 BJGQZNACIKADKC-GOSISDBHSA-N 432.531 2.093 0 40 IEAB CCC(C)(C)n1nnnc1[C@H](c1cc(OC)c(OC)c(OC)c1)N1CCC(C(N)=O)CC1 13504175 PLPQMKQLPIWOOS-SFHVURJKSA-N 446.552 2.131 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C[C@@H](C)n3cccn3)[nH]c2=O)C1 19501643 XASUFDBVMVSZIU-VQIMIIECSA-N 440.548 2.356 0 40 IEAB C[C@@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)Nc1ccc(C(F)(F)F)cc1 21138545 PDOLDXPASLEZJQ-MGNBDDOMSA-N 427.379 2.296 0 40 IEAB COCCCn1c(C)cc(C(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1C 22707534 DTUCVALNRSLXMV-UHFFFAOYSA-N 442.921 2.482 0 40 IEAB CCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1 23809094 UAZMAWPJQGKBIJ-UHFFFAOYSA-N 426.498 2.237 0 40 IEAB CN(CC(=O)OCCCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(F)cc1 23949838 SWCRCRADWRKGAB-UHFFFAOYSA-N 448.472 2.066 0 40 IEAB COc1ccc([C@@H]2CCCCCN2C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 24392587 ZAYPJAORIYIKPH-XLIONFOSSA-N 447.557 2.304 0 40 IEAB O=C1CN(c2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cn2)CCN1 31719089 DPAJIVPAGQJDOH-INIZCTEOSA-N 441.919 2.162 0 40 IEAB O=C(Cn1ccc(C(F)(F)F)n1)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 48288155 XIKJFVGVFAKCEI-UHFFFAOYSA-N 438.406 2.322 0 40 IEAB C[C@H]1C[C@H](C)CN(c2nccn3c(=O)n(CC(=O)NCc4ccccc4Cl)nc23)C1 49400345 TYWCNJZVMUFJEB-GJZGRUSLSA-N 428.924 2.343 0 40 IEAB CCOC(=O)[C@@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3ccccc3Cl)NC(=O)N2)C1 67285799 URSVRGCLIBNMAJ-ACJLOTCBSA-N 435.908 2.396 0 40 IEAB COCc1nnc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1 71333059 UQFUFHRYJWCGIJ-GFCCVEGCSA-N 438.941 2.197 0 40 IEAB CCn1nc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1C(=O)OC 95457291 RFONSVQUNQMKAP-UHFFFAOYSA-N 428.898 2.154 0 40 IEAB COc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2)cc1 96099639 RQAHCWALWVLMMC-UHFFFAOYSA-N 443.518 2.470 0 40 IEAB COc1cn(CC(=O)N2CCC(c3ccccc3)CC2)c(CN2CCOCC2)cc1=O 96117608 YGJBCDPXZBKILK-UHFFFAOYSA-N 425.529 2.095 0 40 IEAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223482287 XEKXZDNYFGRQCP-FQEVSTJZSA-N 449.548 2.188 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223516947 RRNKBIFUCIQFOZ-GOSISDBHSA-N 431.558 2.314 0 40 IEAB Cc1n[nH]cc1C(=O)N1CCN(C)[C@@H](C(=O)N(C)CCCOc2ccc(Cl)cc2)C1 257201383 AHLZATMAOVKFKD-LJQANCHMSA-N 433.940 2.055 0 40 IEAB COc1cc2c(cc1OC)[C@H](NC(=O)Cn1ncc3ccc(OC)c(OC)c3c1=O)CC2 524734961 NRIHDONILRPXDV-MRXNPFEDSA-N 439.468 2.235 0 40 IEAB Cc1nn(C)c(C)c1C(=O)NC1(C(=O)Nc2ccc3c(c2F)CCNC3=O)CCCC1 560154869 UFIWVQXBLGHEQM-UHFFFAOYSA-N 427.480 2.143 0 40 IEAB Cc1ncoc1C(=O)N1CCO[C@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643557607 YNGJPXZVNZRSIY-HSZRJFAPSA-N 427.501 2.458 0 40 IEAB CC(C)(C)NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1 1328944 YGMTTXSFUUMZIX-UHFFFAOYSA-N 443.997 2.492 0 40 IEAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)COCC(=O)O)C2)C3)cc1 4237476 GTMKNLROQLNEQB-GOEBONIOSA-N 428.510 2.284 0 40 IEAB biogenic,in-vitro CC(C)COC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(I)cc1 8816044 DKDOCFFRVAZPHG-KBPBESRZSA-N 432.258 2.458 0 40 IEAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccccc1C(=O)NC1CC1 9253581 CJLUBVJBFKNHOI-UHFFFAOYSA-N 433.512 2.497 0 40 IEAB Cn1c(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F 9284846 ZIEXJJXESFBPIQ-GFCCVEGCSA-N 440.513 2.274 0 40 IEAB CC(=O)N1C[C@H](C(=O)NCC(=O)Nc2ccccc2Br)Oc2ccccc21 9316758 PPRFGXNKFZJDLZ-QGZVFWFLSA-N 432.274 2.318 0 40 IEAB CCn1c(CNC(=O)c2cccc(OC)c2)nnc1SCC(=O)Nc1nnc(C)s1 9426854 UNCGRZNMAKFLNV-UHFFFAOYSA-N 447.546 2.127 0 40 IEAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 9466208 HILWJCZNHGOAEL-MOSHPQCFSA-N 446.467 2.054 0 40 IEAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 9580052 NHNJHEIOAFDTQL-UHFFFAOYSA-N 434.924 2.059 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@H](c2ccc(F)cc2)n2nnnc2N1 10232352 HHGUEXYISDZFJV-SFHVURJKSA-N 439.403 2.154 0 40 IEAB NC(=O)c1ccc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 11613367 NMTRWQCNZRHQHH-INIZCTEOSA-N 446.492 2.357 0 40 IEAB Cc1ncsc1C(=O)N1CCC(c2nc(N3CCCC3)ncc2S(C)(=O)=O)CC1 12133315 HTWDNQIQCAHPDU-UHFFFAOYSA-N 435.575 2.265 0 40 IEAB Cc1ccc([C@H](Cc2ccsc2)NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)nc1 12229419 LMPWQGCQDLOTKG-SFHVURJKSA-N 442.522 2.244 0 40 IEAB CCn1c(CCC(=O)NC2CCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12547921 MIDLHOMZDSIRBZ-UHFFFAOYSA-N 434.562 2.069 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)cc1 12866367 ODJZRDSLGYYAGM-UHFFFAOYSA-N 432.933 2.391 0 40 IEAB COc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c12 13147307 GNWYYTXQNJTVRZ-QZQOTICOSA-N 447.538 2.010 0 40 IEAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2cccs2)CC1 14067758 MFAGQLBVZVPFNA-LJQANCHMSA-N 437.562 2.385 0 40 IEAB C[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)Nc1ccc(C(N)=O)cc1 14245158 AYIYHBMLQXNXIC-CQSZACIVSA-N 448.479 2.406 0 40 IEAB C[C@H]1CCCCN1CCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 14248072 GDKMONJKOQNNQL-IPMKNSEASA-N 437.606 2.479 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4cnn5c(C)cc(C)nc45)[C@H]3C2)cc1 19211885 LKSWXUDGIHYCCA-UXPWSPDFSA-N 439.541 2.094 0 40 IEAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)ncc1C(=O)Nc1ccccc1 19755345 DBYBWJXIEMGLNR-KRWDZBQOSA-N 426.502 2.297 0 40 IEAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2NC(=O)Nc2ccccc2)cc1OC 20729775 IMYMNTYXYOZETA-UHFFFAOYSA-N 449.467 2.499 0 40 IEAB CN(Cc1ccccc1N1CCOCC1)CN1C(=O)C(=O)N(CCc2cccs2)C1=O 23819784 DXOOAYJZFAPCNK-UHFFFAOYSA-N 442.541 2.008 0 40 IEAB COc1cc2nc(CSc3n[nH]c(=O)n3CCc3ccccc3)[nH]c(=O)c2cc1OC 26335839 RQELTGOIWPJAHY-UHFFFAOYSA-N 439.497 2.360 0 40 IEAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)OCCO3 32891531 NOXRABLQBYWTMH-ZHRRBRCNSA-N 448.585 2.340 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)NCc1ccc(Cl)cc1 65237498 YIAKLJYMIPXBRI-UHFFFAOYSA-N 437.949 2.383 0 40 IEAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)Cc2c[nH]nc2O)CCO1 72389104 IZOVALXIUOSCHG-VWLOTQADSA-N 448.523 2.253 0 40 IEAB Cc1noc(C)c1CN1CCC2(CC1)O[C@H](C(=O)NCc1ccccn1)Cn1ccnc12 96243854 DUSDKCNFPKPJOV-FQEVSTJZSA-N 436.516 2.089 0 40 IEAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 100201172 DWAFWTZNNJYQGW-ROUUACIJSA-N 441.557 2.116 0 40 IEAB CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)n2C 100823780 BWXSUIOPUFUYMK-XUTLUUPISA-N 432.527 2.190 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223084319 ACWUWUNTYOFESM-HXUWFJFHSA-N 449.548 2.454 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 408645943 NRAXJNMCGGDVTA-UHFFFAOYSA-N 448.497 2.389 0 40 IEAB COc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc(Cl)c1O 409199893 FMUHVTAACWDADA-ODYDIQAQSA-N 426.878 2.386 0 40 IEAB O=S1(=O)C[C@H](O)[C@@H](Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)C1 575421580 KCQRTBYVZLSHAR-PMACEKPBSA-N 432.523 2.210 0 40 IEAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)nn1 1888856524 NSHKDAFDKUFNBL-IAGOWNOFSA-N 430.549 2.029 0 40 IEAB O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888998929 PNJQWOPSQKRSHO-UHFFFAOYSA-N 431.452 2.106 0 40 IEAB C[C@@H](C(=O)NCCc1cccs1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 8853298 XSOSLLAXZYEWLB-INIZCTEOSA-N 439.578 2.331 0 40 IEAB CC(C)CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 8996474 ROQBYFRGADKQLP-UHFFFAOYSA-N 444.967 2.293 0 40 IEAB Cc1ccccc1-n1nnnc1SCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 9495336 MKECVGDSNMDARX-UHFFFAOYSA-N 435.513 2.499 0 40 IEAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5C)CC4)ncnc32)c1 9850664 TVZZLLJJTLNOCJ-UHFFFAOYSA-N 429.484 2.490 0 40 IEAB Cn1cccc1C(=O)NC(=O)COC(=O)CSc1nnc(NC2CCCCC2)s1 9960805 RKVYUBVJOVHITB-UHFFFAOYSA-N 437.547 2.213 0 40 IEAB O=C(Cn1nc(-c2cccs2)c2sc(N3CCOCC3)nc2c1=O)NC1CCCC1 11666258 YMDJHSPEYFWNIF-UHFFFAOYSA-N 445.570 2.477 0 40 IEAB Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2ccc(OC(F)(F)F)cc2)=C1 12155234 VKTDZDUTFRVIFL-UHFFFAOYSA-N 443.407 2.129 0 40 IEAB CN(C)c1cc(Cl)c(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(-n2cncn2)cc1 12414004 HLKFBWSVEYDJSI-UHFFFAOYSA-N 448.936 2.489 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1nc(C)c(S(=O)(=O)N2CCC(C)CC2)c1C 12748408 RPASKGGSFOBREO-UHFFFAOYSA-N 448.545 2.346 0 40 IEAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(Br)cc1F 12755605 QMHKTCBYDXCIPV-UHFFFAOYSA-N 439.285 2.388 0 40 IEAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1 12822361 AOLQUJOABCCSKV-UHFFFAOYSA-N 432.477 2.203 0 40 IEAB Cc1ccc(Cl)cc1N(CCCC(=O)NCCCN1CCOCC1)S(C)(=O)=O 13676981 ABWYBZPKFICOBW-UHFFFAOYSA-N 431.986 2.033 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 13684506 GFUYOZXWFWJYKD-UHFFFAOYSA-N 426.498 2.273 0 40 IEAB CCCCN(C(=O)CC[C@H]1Cc2ccccc2NC1=O)c1c(N)n(CCC)c(=O)[nH]c1=O 14849500 GFGVRMZFUKKJSZ-INIZCTEOSA-N 441.532 2.253 0 40 IEAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 16180010 KWGQKHACDVJUOJ-QGZVFWFLSA-N 430.917 2.057 0 40 IEAB CCOc1ccc(NCC(=O)Nc2cccc3nsnc23)cc1S(=O)(=O)N(C)C 19079668 RJCCPTQZZVZYIX-UHFFFAOYSA-N 435.531 2.391 0 40 IEAB O=C(c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3)N1CCC[C@H](O)C1 19372407 PRJKWSPAILPVQZ-FQEVSTJZSA-N 432.524 2.052 0 40 IEAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccccc3C)[nH]c(=O)c2C1 19520412 NOJKLQZEWYPTRD-LJQANCHMSA-N 444.557 2.154 0 40 IEAB O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC(=O)[C@H]1CC12CCC2 19697809 ATXQFXOJKNULAL-LJQANCHMSA-N 435.528 2.414 0 40 IEAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(C)=O)c3)=C2)cc1OC 20310970 FURLPHYTCPXNJZ-UHFFFAOYSA-N 443.481 2.408 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1 20426840 LXXQRECICZGRTN-UHFFFAOYSA-N 444.538 2.401 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20768754 BXYVARJMCAZBGC-UHFFFAOYSA-N 428.507 2.097 0 40 IEAB CC(C)CN(Cc1cc(=O)n2cc(Cl)ccc2n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 23358343 XFJHQKHTTLTPJF-UHFFFAOYSA-N 446.939 2.099 0 40 IEAB Cc1cc(C(=O)CN2CCN(c3ccc(O)cc3)CC2)c(C)n1[C@H]1CCS(=O)(=O)C1 23696272 CJDBRYIIMBCYAQ-IBGZPJMESA-N 431.558 2.175 0 40 IEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(N3CCOCC3)nc2)CC1 25920978 ZNKULMZXABUMAU-UHFFFAOYSA-N 437.496 2.425 0 40 IEAB O=C(CN1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCC(=O)Nc1ccc(F)c(F)c1 27572533 LUSHXZKYKVYKQI-OAHLLOKOSA-N 430.455 2.370 0 40 IEAB CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccco2)cc1 30555155 YGFOEBWXUQKVDC-UHFFFAOYSA-N 433.530 2.279 0 40 IEAB COc1ccccc1N1CCN(c2ncc(S(=O)(=O)c3ccccc3)c(N)n2)CC1 33301810 RSUCCPJAFNRQIQ-UHFFFAOYSA-N 425.514 2.227 0 40 IEAB C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 40112372 LVBNCGQZPWWRLZ-QGZVFWFLSA-N 428.558 2.175 0 40 IEAB COc1ccccc1C(=O)NC(=O)COC(=O)CCc1nc2ccccc2c(=O)n1C1CC1 40162376 LHMGBIQMCUMHQO-UHFFFAOYSA-N 449.463 2.172 0 40 IEAB COc1cc(OC)cc([C@H](NC(=O)[C@H]2CCCN(c3cnccn3)C2)c2nccn2C)c1 58162761 LGVNYOPFMZGOOE-KKSFZXQISA-N 436.516 2.350 0 40 IEAB O=C(N[C@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccc2nsnc2c1 72345784 SJGQQXBROFXPGD-KRWDZBQOSA-N 444.538 2.130 0 40 IEAB COc1ccc([C@@H]2CCCN2C(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)c(OC)c1 107334318 MFJIGVPYYAYZCC-YYWHXJBOSA-N 433.549 2.288 0 40 IEAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 225576034 XRYVCFFGRUDIGZ-HXUWFJFHSA-N 444.601 2.476 0 40 IEAB COc1ccc([C@@H](CC(=O)N2CCN(c3ccccc3F)CC2)NS(C)(=O)=O)cc1 225957029 QPWGQEQIKLIYEO-LJQANCHMSA-N 435.521 2.164 0 40 IEAB O=S1(=O)CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC[C@@H]1c1ccccc1 390832513 ZUXKMOJRHLYAIO-HXUWFJFHSA-N 431.539 2.423 0 40 IEAB CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 408596920 UZSUJSZTIRIVGD-HXUWFJFHSA-N 435.977 2.394 0 40 IEAB NC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 409245277 QDTQSTVBNRNIGB-LZYBPNLTSA-N 429.429 2.365 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1C[C@@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888913493 JWIWPRIOMQYFLV-GASCZTMLSA-N 432.521 2.178 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)c1 1889059856 CEZGOHJRTLEVHB-UHFFFAOYSA-N 435.513 2.389 0 40 IEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 3367156 YNTYKNIBRCQFJA-OAQYLSRUSA-N 444.488 2.271 0 40 IEAB CCN(Cc1cc(=O)n2ccsc2n1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 3457769 AQNHZFFVLLAHTL-UHFFFAOYSA-N 427.486 2.032 0 40 IEAB Cn1c(=O)c2nc(SCC(=O)Nc3cc(Cl)ccc3Cl)n(C)c2n(C)c1=O 8673552 OWKOERNDKUERSM-UHFFFAOYSA-N 428.301 2.008 0 40 IEAB CCCNC(=O)CSc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)s1 8906687 IBMJTXIGSXOSKE-LBPRGKRZSA-N 449.558 2.157 0 40 IEAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21 9001350 DBEKHSJSXVUMPV-UHFFFAOYSA-N 431.452 2.039 0 40 IEAB CN1C(=O)C2(Cc3ccccc3N3CCN(c4ccccc4F)C[C@H]32)C(=O)N(C)C1=S 9186364 ZEJARUBBTLTZSI-IBGZPJMESA-N 438.528 2.279 0 40 IEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)cc1 9192697 ONXMPFMORYDDJV-FQEVSTJZSA-N 427.526 2.024 0 40 IEAB CCNC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 9223727 BNIGDFFIGBHCIT-UHFFFAOYSA-N 445.541 2.484 0 40 IEAB CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(F)cc3)n2C)s1 9263991 CUIBGMFIMQQXFX-UHFFFAOYSA-N 435.510 2.280 0 40 IEAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COC(=O)C1=NNC(=O)CC1 9284354 OVBIBNAUFKIFMO-UHFFFAOYSA-N 433.442 2.241 0 40 IEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(C)c1ccc(C)cc12 9449927 CXGMZCMEADJRMJ-XMMPIXPASA-N 432.432 2.490 0 40 IEAB Cc1cc(C)n2c(SCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)nnc2n1 9670843 PYQJZKRWYFDOCX-MRXNPFEDSA-N 437.591 2.182 0 40 IEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 9730172 KYTIFHKPVPNJIM-DEOSSOPVSA-N 434.496 2.094 0 40 IEAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1 9746430 MMCQTFZPJCVOMZ-QGZVFWFLSA-N 435.571 2.114 0 40 IEAB Cc1cc(C)nc(SCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248515 XEDPWNDGGILUIS-CHWSQXEVSA-N 443.577 2.105 0 40 IEAB Cc1nc(C)n([C@@H](C)CC(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)n1 12085515 MQUGHINCRBZECW-WNSKOXEYSA-N 438.532 2.179 0 40 IEAB C[C@H](C(=O)N1CCC(c2ncccc2S(C)(=O)=O)CC1)c1n[nH]c(=O)c2ccccc12 12144063 IDGLRNBRETWDSP-AWEZNQCLSA-N 440.525 2.231 0 40 IEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)C1 12792997 ONKWLBMYGSVNKY-WOJBJXKFSA-N 440.588 2.071 0 40 IEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)N1CCCCCC1 13495550 PQBPSPMWRSCWHC-UHFFFAOYSA-N 441.509 2.486 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H]3CCCO3)C2)cc1Cl 13567105 XAYHBRQVRJQCAH-GJZGRUSLSA-N 430.954 2.435 0 40 IEAB O=C(COc1ccccc1F)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 15884085 YNSHYSNQHJKBOD-UHFFFAOYSA-N 447.474 2.136 0 40 IEAB COc1cc(C(=O)OCC(=O)N2CCCC2=O)cc(NC(=O)c2cccs2)c1OC 16050261 YKTUFXXSIWTXOM-UHFFFAOYSA-N 432.454 2.323 0 40 IEAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccc(OC)cc3)[nH]c2=O)C1 19499116 LHNCADRFGYKPAT-HXUWFJFHSA-N 438.528 2.370 0 40 IEAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)cc1C 19571404 SJGSUBNOWAZSNN-OAHLLOKOSA-N 426.498 2.327 0 40 IEAB Cc1nc(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)nc2c1CCCN2Cc1ccccn1 19705690 MTFRKYCEYIYQJW-LJQANCHMSA-N 448.571 2.317 0 40 IEAB NC(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 20050273 LIIVDEGFYZUFII-IBGZPJMESA-N 429.542 2.399 0 40 IEAB C[C@H](Sc1nnc(C(F)(F)F)n1N)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 21202643 UMGIKNJSDIZGCE-SJXRWQQJSA-N 432.472 2.286 0 40 IEAB CCCc1n[nH]c(=S)n1NCc1cc(Br)c(OCC(N)=O)c(OC)c1 22109841 BPSTWBLOWAIOGW-UHFFFAOYSA-N 430.328 2.272 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 27408388 UJVRIOXITLYQKY-UHFFFAOYSA-N 445.541 2.490 0 40 IEAB CC(=O)Nc1cccc(NC(=O)c2ccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c1 32092412 DOLPTRMGMRQPTO-SFHVURJKSA-N 430.486 2.206 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1CN1CCOCC1 32741137 JRIVXKUMTHVIKR-JOCHJYFZSA-N 445.585 2.138 0 40 IEAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 32764435 GREDHFWIPHKMAK-UHFFFAOYSA-N 446.916 2.473 0 40 IEAB CCCCn1c(=O)n(CC(=O)Nc2ccccc2Cl)c(=O)c2c1ncn2CCOC 32957970 PEUVXXMKHACFBO-UHFFFAOYSA-N 433.896 2.098 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(Cc3nc4c(C)cccc4c(=O)[nH]3)CC2)cc1 35269267 KDEIGPSVTQAILN-UHFFFAOYSA-N 426.542 2.437 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)N1CCOCC1 35533331 DQYIAENXIBOASK-UHFFFAOYSA-N 436.917 2.329 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1N1CCc2ccccc2C1 36592980 XYVHLQSJMNANEA-NQIIRXRSSA-N 435.567 2.001 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)cc1 39978307 QRJZBLJDJTWQCK-ZBFHGGJFSA-N 438.546 2.279 0 40 IEAB O=C(c1ccc(O)cc1)C1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 40040055 NYRWQAFVMHCNBG-RUZDIDTESA-N 447.491 2.207 0 40 IEAB CCCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)CC(F)F 60277801 PXZXUJKKLYCNGA-UHFFFAOYSA-N 443.560 2.375 0 40 IEAB O=C(O)[C@H]1[C@H]2O[C@@H](C(Br)=C2Br)[C@@H]1C(=O)Nc1cccc(O)c1 100352146 RBSYPJCXJJPQJM-GAJNKVMBSA-N 433.052 2.430 0 40 IEAB O=C(Cn1c(=O)[nH]c2c(-c3ccccc3)c[nH]c2c1=O)N1CCN(c2ccccc2F)CC1 102434835 TVVVLJVWOLRQPP-UHFFFAOYSA-N 447.470 2.173 0 40 IEAB COC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220228357 IKRCFQVOTNSROP-ZDUSSCGKSA-N 436.486 2.284 0 40 IEAB Cc1ccc(C)c(N(Cc2ccc(C(=O)NCCN3CCOCC3)cc2)S(C)(=O)=O)c1 222384199 WMCWGBCCMUADMY-UHFFFAOYSA-N 445.585 2.332 0 40 IEAB CCCSc1nnc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 225520245 XQEZOCIMFKNBMZ-UHFFFAOYSA-N 444.560 2.216 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 249686468 GPYWZWZCCUUMRU-YMKFXDTLSA-N 434.876 2.250 0 40 IEAB CCN1CCN(C(=O)c2cc(O)nc(O)n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257325963 WVFBYCJXIWDKSH-SFHVURJKSA-N 447.495 2.113 0 40 IEAB CCc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC)S(C)(=O)=O 260574428 YPMAITHBLWIHII-GOSISDBHSA-N 445.585 2.487 0 40 IEAB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)no1 408667785 RAZNBCITIHOLHQ-UHFFFAOYSA-N 431.445 2.839 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408704739 SDCJRBQSJPWFDV-CYBMUJFWSA-N 433.486 2.209 0 40 IEAB COc1cc2c(cc1OC)[C@@H](NC(=O)Cn1ncc3ccc(OC)c(OC)c3c1=O)CC2 524734960 NRIHDONILRPXDV-INIZCTEOSA-N 439.468 2.235 0 40 IEAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)C(=O)Nc1cccc(N2CCCC2=O)c1 585147576 LLKSSOYHADDUST-JOCHJYFZSA-N 439.493 2.459 0 40 IEAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCN(c2cccc(F)c2)CC1 585287783 RMXNEBCVJRXQRO-XMMPIXPASA-N 448.510 2.438 0 40 IEAB Cc1ccc2[nH]c3c(c2c1)CN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)CC3 591381638 QECFSMGZEPZJES-INIZCTEOSA-N 441.557 2.338 0 40 IEAB O=C(Nc1ccccc1F)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243222 SNOIHBNXVMNSPF-HNNXBMFYSA-N 444.488 2.276 0 40 IEAB COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(OC)ccc2OC)cc1 932134 SKWNYUCYAJQBAZ-UHFFFAOYSA-N 429.458 2.197 0 40 IEAB Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)cc1Cl 8595593 HVUPMBSGGNXZAQ-UHFFFAOYSA-N 442.863 2.120 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCC4)C[C@]34C=C[C@H]2O4)cc1OC 9184111 NBQLYEOLRJHBAE-LOCCHRAXSA-N 426.513 2.087 0 40 IEAB O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccnn1C1CCCC1 9315329 SPFUOWGQBGDCJZ-UHFFFAOYSA-N 449.552 2.472 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 9316474 DPMZBMYELOTPSS-UHFFFAOYSA-N 448.516 2.187 0 40 IEAB CNC(=O)c1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCN(C(=O)OC)C2 9325398 QPUGJMBBLPXSJS-UHFFFAOYSA-N 431.470 2.256 0 40 IEAB CN(C(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)[C@H]1CCS(=O)(=O)C1 9435367 FNXYYDFORQUDEQ-HNNXBMFYSA-N 443.477 2.190 0 40 IEAB biogenic O=C(COc1ccc2ccc(=O)oc2c1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9441083 KNAMYWNPGMCHTH-SFHVURJKSA-N 427.478 2.388 0 40 IEAB COCCn1c(CCC(=O)Nc2cc(F)ccc2C)nc2c1c(=O)[nH]c(=O)n2CC(C)C 9507787 BWSLQXZAVIWFJH-UHFFFAOYSA-N 445.495 2.208 0 40 IEAB CC(=O)Nc1ccc(NC(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)cc1 9821610 KVOIRKMTGSIJLS-UHFFFAOYSA-N 431.452 2.287 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCNC(=O)Nc1ccccc1 10025037 AHBAVJAUHBDWOT-UHFFFAOYSA-N 446.529 2.166 0 40 IEAB C[C@@H](Sc1nncn1CCc1cccs1)C(=O)Nc1cccc(S(N)(=O)=O)c1 11107319 WQHKNQXKOIRPGZ-GFCCVEGCSA-N 437.572 2.349 0 40 IEAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 11976302 MSSUAVAXBWZRRA-SFHVURJKSA-N 448.614 2.456 0 40 IEAB CCCN1C(=O)N[C@H](CC(=O)N2Cc3cc(Cl)ccc3OC3(CCOCC3)C2)C1=O 12122080 YRCDKCNPWOQBDM-MRXNPFEDSA-N 435.908 2.331 0 40 IEAB CCOC(=O)[C@H]1CN(S(=O)(=O)c2cccs2)c2cc(S(=O)(=O)CC)ccc2O1 12859834 GRUAZVKGZSHIGA-OAHLLOKOSA-N 445.540 2.061 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(Br)cc1 12907582 LWQVENSJIBOJAB-UHFFFAOYSA-N 439.331 2.400 0 40 IEAB CCn1c(SCC(=O)O[C@@H](C(=O)NC(=O)NC)c2ccccc2)nnc1-c1ccco1 13149037 VVEAJCPRJDHNFS-MRXNPFEDSA-N 443.485 2.390 0 40 IEAB O=C1NC(=O)c2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)ccc21 14019201 QHJWGJRMJRFNOX-GFCCVEGCSA-N 447.900 2.263 0 40 IEAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(C(=O)C2CC2)CC1 14142126 RUCBKAJLKYHOPW-KPKJPENVSA-N 445.585 2.345 0 40 IEAB O=C(c1cc(O)nc2ccccc12)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 15090817 HZHSVMYFGKQVSL-UHFFFAOYSA-N 433.436 2.365 0 40 IEAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NCCCN1CCOCC1 16523725 RUCAKDGVPMYGBJ-UHFFFAOYSA-N 438.557 2.260 0 40 IEAB O=C(C1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19014555 ASRYVMBGPIWJNW-OALUTQOASA-N 428.533 2.077 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cnn(CCC)c3)[nH]c2=O)C1 19501671 UYFAMSOJCDZRHL-LJQANCHMSA-N 440.548 2.429 0 40 IEAB CN(C)CCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2cccnc2N)C1 19702268 VZYSLAXSDRWLBI-CQSZACIVSA-N 438.557 2.195 0 40 IEAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2cccn2C)N2CCOCC2)c(C)c1 21154449 HQAFRLYBKCEYHV-LJQANCHMSA-N 434.562 2.034 0 40 IEAB O=C(CNC(=O)NCc1ccccc1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 22678132 QDVOLLUMRORAQT-UHFFFAOYSA-N 442.497 2.196 0 40 IEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cccc(C)c1 25357447 MIIMBCOMHADRRF-UHFFFAOYSA-N 444.484 2.370 0 40 IEAB CCn1c(N2CCN(C(=O)c3ccccc3F)CC2)nc2cc3c(cc2c1=O)OCCO3 28555691 XZYWPJVPXMUSPY-UHFFFAOYSA-N 438.459 2.289 0 40 IEAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cccc(OC(F)F)c1 28814150 XKXGZZSTNWRLAF-UHFFFAOYSA-N 428.413 2.267 0 40 IEAB CCn1c(=O)n(CCC(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c2ccccc21 32850633 SDDIZOUKQUEBHU-JOCHJYFZSA-N 437.496 2.356 0 40 IEAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccc2c(c1)OCCO2 34854001 UQTHPQXQRLUXIT-OVCLIPMQSA-N 443.525 2.015 0 40 IEAB Cc1ccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(C)c1 34887564 NFELVWPPICBHIO-UHFFFAOYSA-N 448.520 2.097 0 40 IEAB CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 39980477 YPZVBGBIPWFUQU-UHFFFAOYSA-N 444.495 2.394 0 40 IEAB COC(=O)CN1C(=S)N(CCc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 58939439 HSWDRPJPEAZAJR-SFHVURJKSA-N 443.500 2.368 0 40 IEAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nnc([C@@H]2CCCO2)s1 71333323 PXOBKNKIABKUEX-ZBFHGGJFSA-N 430.534 2.248 0 40 IEAB O=C(N[C@@H]1CCS(=O)(=O)C1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 72394557 VVYYSHLRIPUSJQ-CQSZACIVSA-N 440.468 2.262 0 40 IEAB COc1cc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nc(C)no3)C2)cc(OC)c1OC 77100806 JWYWEJCHAKEHJX-OAHLLOKOSA-N 439.472 2.475 0 40 IEAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)Nc3ccccc3N3CCOCC3)cc(C3CC3)nc21 78265946 ZYLHUVVCUJHYPC-UHFFFAOYSA-N 449.511 2.461 0 40 IEAB COC(=O)COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)OC)ccc1OC 79191435 JEBTWFNKPFFSSA-NQIIRXRSSA-N 440.404 2.419 0 40 IEAB biogenic O=C(NCCc1ccc(C(F)(F)F)cc1)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 84576873 CZXHCSXDYYLPOQ-UHFFFAOYSA-N 437.403 2.373 0 40 IEAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)N1CCN(Cc3ccncc3)CC1)C2 90609721 NWYZPSUYOSXBKX-KRWDZBQOSA-N 427.574 2.002 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCCc2nnc3n2CCCC3)C(C)C)cc1C 95451061 FVQPPNMRZJRABJ-OAQYLSRUSA-N 447.605 2.283 0 40 IEAB NS(=O)(=O)C[C@@H]1CCCN1c1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 95460538 HEDNVAKLDRDINM-LBPRGKRZSA-N 430.559 2.284 0 40 IEAB Cc1ccc([C@H](C)NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)cc1 98213168 YNUOIUIURGSEDD-SFHVURJKSA-N 433.512 2.195 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(F)c4)[C@@H]3C2=O)cc1Cl 101168827 NJPSNMPAABTJEO-IRXDYDNUSA-N 431.811 2.420 0 40 IEAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)c2)n1 226056619 WOCUQWYRLYJZJD-UHFFFAOYSA-N 430.461 2.144 0 40 IEAB CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCCc3ccccc3)c3ccccn23)C1 306141817 WHDICGXPAAGYRI-GOSISDBHSA-N 426.542 2.446 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1Br 408622709 QQIKFXAOHFJSNR-UHFFFAOYSA-N 438.303 2.200 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1C(=O)NC(C)C 408702717 NXOYNFXZHCCITK-UHFFFAOYSA-N 445.541 2.406 0 40 IEAB CO[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)CC1)c1ccc(F)cc1 1517799298 NJVRLVMNAJJTNQ-IBGZPJMESA-N 431.512 2.250 0 40 IEAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)Nc1ccc2ccccc2c1 3443679 VUSRVIPRYLNANJ-AWEZNQCLSA-N 437.477 2.449 0 40 IEAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CCCCCC2)c(=O)[nH]c1=O 7339521 JJBLFALDPFLUTM-UHFFFAOYSA-N 427.549 2.328 0 40 IEAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9492522 DYHZIRKRWJYHIR-UHFFFAOYSA-N 441.553 2.435 0 40 IEAB CCN(C(=O)CSc1nnc(NCc2ccccc2)s1)[C@H]1CCS(=O)(=O)C1 9612765 RNZXBMINSIJUNG-AWEZNQCLSA-N 426.589 2.278 0 40 IEAB CCCNC(=O)CSC(Nc1ccc(OCC)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973795 ACLCIDZGSFRZRG-UHFFFAOYSA-N 434.518 2.019 0 40 IEAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(C)on3)o2)cc1OC 11726739 WCCDEHGJPMCZDI-UHFFFAOYSA-N 433.446 2.044 0 40 IEAB C[C@@H]1CN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C[C@@H](C)O1 12232905 KOZMBDJYZSBPMH-FMKPAKJESA-N 425.514 2.255 0 40 IEAB COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)c1 12711882 XWUOUCDXGJTGSI-UHFFFAOYSA-N 426.458 2.138 0 40 IEAB COc1ccc(C)cc1N1C[C@@H](C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)CC1=O 12750954 SDGNONKNMRZPEU-KRWDZBQOSA-N 446.525 2.350 0 40 IEAB COc1cccc(N2C[C@H](C(=O)Nc3nc(-c4c[nH]c(C(N)=O)c4)cs3)CC2=O)c1 12848330 KXMOGOZNHSDAKZ-GFCCVEGCSA-N 425.470 2.237 0 40 IEAB O=C(COc1ccc(OCc2ccccc2)cc1)N1CCN(CC(=O)N2CCCC2)CC1 12974506 VMKVIMUZSYOEFX-UHFFFAOYSA-N 437.540 2.411 0 40 IEAB Cc1ncc(C(=O)N2CCO[C@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)c(C)n1 19552497 MCKNRQVHBAIMSJ-DEOSSOPVSA-N 431.496 2.095 0 40 IEAB Cn1ccnc1[C@@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCc3ccccc32)c1)C1CC1 19749268 UQLIUTLWEUVGIC-QFIPXVFZSA-N 431.496 2.052 0 40 IEAB COc1cc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)ccc1OC(C)C 20110144 NIVYGLHDJVOSOJ-HXUWFJFHSA-N 434.514 2.326 0 40 IEAB CC(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O 20567653 ZJFYNNZOLAKHQD-BWKNWUBXSA-N 432.524 2.407 0 40 IEAB O=C(Cc1ccc2c(c1)OCCO2)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22227421 QAWFEPGIJTXRIG-UHFFFAOYSA-N 430.526 2.144 0 40 IEAB COc1ccc(Cl)cc1N(CC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O 22335866 JOKQBZDUAZDPTN-UHFFFAOYSA-N 425.938 2.367 0 40 IEAB COc1ccc(S(=O)(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1OC 22405896 HLMBNUPDGAHKNE-UHFFFAOYSA-N 433.530 2.085 0 40 IEAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1 23560757 YYNJYGPCPLDAQS-RBBKRZOGSA-N 425.504 2.364 0 40 IEAB CCCNC(=O)[C@H](C)NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 32868857 IXONOWVZKMTJAL-AWEZNQCLSA-N 435.571 2.140 0 40 IEAB CN1CCN([C@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 32876214 CHWRAXKGLYMVHV-LJQANCHMSA-N 448.614 2.142 0 40 IEAB Cc1cccn2cc(COc3cccc(C(=O)N4CCC5(CC4)NC(=O)NC5=O)c3)nc12 32893648 IGHDXFGGKRWWKQ-UHFFFAOYSA-N 433.468 2.036 0 40 IEAB C[C@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccc(F)cc1F 32946611 QOXIVFTWEKHTOZ-JTQLQIEISA-N 440.497 2.468 0 40 IEAB C[C@H]1CN(C(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2cc(Cl)ccc2O3)CC[C@H]1O 72327682 FAQGORDIXZTEMB-ORHBMQHOSA-N 434.920 2.286 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(C(=O)Nc4ccccn4)n3)C2)c1 72357442 CLEFPQBSLOMQPJ-OAHLLOKOSA-N 426.502 2.031 0 40 IEAB CC(=O)c1ccc(C(F)(F)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)n1C 83843751 PZJDPTWRXYOGTL-UHFFFAOYSA-N 433.455 2.336 0 40 IEAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NS(=O)(=O)c1c(Cl)nc2ccccn12 89512679 OYGNDGVVRREKIP-UHFFFAOYSA-N 449.842 2.411 0 40 IEAB CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)[C@@H](C)OCc3cccc(OC)c3)C2)no1 95436365 FJEZHQYDGKCTIU-CRAIPNDOSA-N 430.505 2.195 0 40 IEAB COC(=O)CNC(=O)c1cccc(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)c1 95961723 ORWDEPLWZHRFHJ-UHFFFAOYSA-N 438.528 2.049 0 40 IEAB COCCCN(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 104002007 BILWGUGYKLKLAN-GBESFXJTSA-N 440.544 2.363 0 40 IEAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 104667839 IWNDPIZGSQAVPY-HOSILWTGSA-N 427.457 2.012 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 222934688 IZIVVDDQQTUNHJ-XOBRGWDASA-N 434.514 2.417 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC(C)C)ccc2OC)ccc1OC 223784334 RLOYTLOOFZWNCC-UHFFFAOYSA-N 436.486 2.429 0 40 IEAB Cc1ccccc1-c1noc(CN(C)C(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)n1 224375193 FQSHNTDLWZIIPY-UHFFFAOYSA-N 444.513 2.478 0 40 IEAB Cc1noc(-c2ccn3c(CNC(=O)C4CCN(C(=O)c5ccccc5)CC4)nnc3c2)n1 225746177 ZXGJFPJWFQJIJE-UHFFFAOYSA-N 445.483 2.256 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1)C1CCCCC1 226040646 RLNNPROFXDNFMN-UHFFFAOYSA-N 437.591 2.274 0 40 IEAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CCN(S(=O)(=O)c1ccc(F)c(C)c1)C2 257344852 ZYWVDEDZLPRPCT-HNNXBMFYSA-N 447.536 2.049 0 40 IEAB O=S1(=O)CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC[C@@H]1c1cccs1 390831794 UZDAIYXRIOWQBQ-GOSISDBHSA-N 437.568 2.484 0 40 IEAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCN(c2ccc(F)cc2)CC1 585287647 PYHIPLQWOLGSKX-XMMPIXPASA-N 448.510 2.438 0 40 IEAB Cc1cc(C)n(NC(=O)c2cc(Br)ccc2OC(F)F)c(=O)c1C(N)=O 2789911 PJMZIXLMGOJRFK-UHFFFAOYSA-N 430.205 2.312 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 3477248 NEBIVVABMWGJTM-XDHUDOTRSA-N 442.560 2.481 0 40 IEAB CC1CCN(CCNC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)CC1 4003672 RAAWDZWPSYDBNX-UHFFFAOYSA-N 434.540 2.394 0 40 IEAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(Cl)ccc2C)n(C)c1=O 6089409 OHRMPRWDHHYHGG-LBPRGKRZSA-N 445.907 2.209 0 40 IEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CCCSc1nc2ccccc2o1 6530250 IRHAVPMKUGWQIE-UHFFFAOYSA-N 426.502 2.347 0 40 IEAB CN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(Cl)cc3)[C@H]12 8636405 YGFMBWZTSLFMMR-WAPOTWQKSA-N 445.972 2.172 0 40 IEAB biogenic,in-vitro COc1ccc2oc(C(=O)OCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)c(C)c2c1 8748418 IRRSQGWPWUGOEJ-UHFFFAOYSA-N 429.429 2.193 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1Nc2ccccc2NC1=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 9060691 RRRCZLRUTYKLJR-CCKFTAQKSA-N 443.592 2.376 0 40 IEAB CCn1c(SCC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)nnc1C1CC1 9155189 PMHXBNXVDMQORM-HXUWFJFHSA-N 428.518 2.156 0 40 IEAB CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nc2cc(S(N)(=O)=O)ccc21 9155417 IKPYTUCMKYHDTJ-UHFFFAOYSA-N 433.511 2.450 0 40 IEAB CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(F)cc1 10923227 JMSLXTMVDUUJKG-BJRSVTDJSA-N 440.518 2.158 0 40 IEAB CNS(=O)(=O)c1ccc(/C=C/C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 12642440 RJOJOJIGSNBWMY-WKOYGUFESA-N 441.509 2.486 0 40 IEAB C[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13494687 AAMKBLDQFJXQIZ-JTQLQIEISA-N 428.499 2.273 0 40 IEAB COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 13735035 ATVFWPMOFVXUOX-NSHDSACASA-N 444.918 2.462 0 40 IEAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)NC[C@H]2CCCO2)c1 14009980 BBFJAHQICJVCGR-HZPDHXFCSA-N 425.514 2.223 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)C[C@H](C)O1 15912273 SCYRPYNEAZDXDE-GJZGRUSLSA-N 429.498 2.083 0 40 IEAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1cc2c(cc1Br)OCCO2 18699336 YIVOECAYVJNHAD-UHFFFAOYSA-N 446.257 2.252 0 40 IEAB COc1ccc(CN2CCCC[C@@H]2c2nc(O)c3c(n2)CCN(S(C)(=O)=O)C3)cc1 19555296 DQHAZIOBLFCQCZ-LJQANCHMSA-N 432.546 2.236 0 40 IEAB CCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699958 ROXLPMNXYWIVKT-HXUWFJFHSA-N 426.561 2.407 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2-n2ccnc2C)Oc2ccccc21 20107361 PWVYQPABOKMIRT-OAQYLSRUSA-N 440.525 2.414 0 40 IEAB COc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 22229155 QYFNOGNZBVPRLW-UHFFFAOYSA-N 445.541 2.167 0 40 IEAB O=C(NCC1(N2CCOCC2)CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 23675390 IVEPXWRIINTYLY-UHFFFAOYSA-N 449.617 2.239 0 40 IEAB COc1ccc(OC)c(CCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 25057349 KPIAZHHOCJIMCM-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB COc1ccc(OC)c(C(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1 25538671 QNFHUGUONBODOG-QFIPXVFZSA-N 426.425 2.168 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)cc1 32909270 DVLAEINNLSMANZ-GOSISDBHSA-N 429.523 2.183 0 40 IEAB CCOc1ccc(S(=O)(=O)N(Cc2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 35672530 XXQPUZLIQYEASV-KRWDZBQOSA-N 439.555 2.472 0 40 IEAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(C)CC1 35718080 MCJAVDUVUVYZEI-UHFFFAOYSA-N 436.541 2.497 0 40 IEAB Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)nc21 48310378 NATHENJTTNAWBA-CYBMUJFWSA-N 438.513 2.246 0 40 IEAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(F)ccc2Cl)c1=O 57520730 NGJMGDLOBNNTPF-UHFFFAOYSA-N 437.884 2.188 0 40 IEAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCC(O)CC1 57594508 PWWAGAQIAUMKLI-LJQANCHMSA-N 426.521 2.214 0 40 IEAB COC(=O)c1c(NC(=O)CN2CCC[C@H]2C(=O)NCC(F)(F)F)sc2c1CCCC2 57991454 VZEKSICENRTHLL-LBPRGKRZSA-N 447.479 2.495 0 40 IEAB O=C(Nc1cccc(CNC(=O)N2CCC[C@H]2C(=O)NCC(F)(F)F)c1)[C@@H]1CCCO1 58218687 SDRPZKLEIIAPKG-HOTGVXAUSA-N 442.438 2.157 0 40 IEAB C[C@H](NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)c1cccs1 72326410 RGTCSEANIHUMHU-QTCYRWPVSA-N 427.530 2.273 0 40 IEAB CCOC(=O)C1CCN(c2nc(C)cc(=O)n2CC(=O)Nc2cccc(C(C)=O)c2)CC1 90610191 USBHUYMSIXYLSK-UHFFFAOYSA-N 440.500 2.173 0 40 IEAB COc1ccc(S(=O)(=O)C2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc1 96099629 IYXMYYAJKPFHQL-UHFFFAOYSA-N 446.525 2.386 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1OC 100033125 JWADTHIWEUFOBB-ZWKOTPCHSA-N 443.847 2.289 0 40 IEAB COc1ncc(C2(O)C[C@@H]3CC[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)c(OC)n1 100143352 GRUBDSGFXVTOIR-KBPBESRZSA-N 439.921 2.351 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 224289893 KQKJVAGBMCQCME-INIZCTEOSA-N 435.521 2.338 0 40 IEAB CC(C)CN1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 245229519 AHMYIHLZXLGTIQ-LMHDGWJKSA-N 443.588 2.301 0 40 IEAB Cc1n[nH]cc1C(=O)N1CCN(C)[C@H](C(=O)N(C)CCCOc2ccc(Cl)cc2)C1 257201382 AHLZATMAOVKFKD-IBGZPJMESA-N 433.940 2.055 0 40 IEAB C[C@@H]1Cc2cc(-c3nc(-c4cnc(NCC(F)F)cn4)no3)ccc2N1S(C)(=O)=O 564454027 MCQBGZCLZVKMIP-SNVBAGLBSA-N 436.444 2.581 0 40 IEAB CC(C)NC(=O)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccccn1)C2 585107410 VASDQHQIVBUQSB-XMMPIXPASA-N 430.512 2.353 0 40 IEAB COc1cc(C(=O)NC[C@H]2CC[C@H]3CN(C(=O)NC(C)C)c4ccccc4CN32)on1 1565556791 WBOVUFUDNIRBDD-SJORKVTESA-N 427.505 2.384 0 40 IEAB FC(F)(F)c1nnc2ccc(N3CCN(c4ccc(-c5cccnc5)nn4)CC3)nn12 1775974161 LYBLAJOGZIKCCW-UHFFFAOYSA-N 427.394 2.322 0 40 IEAB Nn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1F 3446679 AMMCHSRUNMASGI-UHFFFAOYSA-N 428.493 2.365 0 40 IEAB COc1ccc(CCN2C(=O)N[C@](NC(=O)C(C)(C)C)(C(F)(F)F)C2=O)cc1OC 3624440 LJJGZMIJZKTGLX-SFHVURJKSA-N 431.411 2.219 0 40 IEAB COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CCCCCC3)s2)cc1OC 8588176 XRTJRVAXMUUWLA-UHFFFAOYSA-N 426.520 2.372 0 40 IEAB O=C(O)c1ccc2c(c1)OCCOCCOc1ccc(C(=O)O)cc1OCCOCCO2 8955172 VFENAQUOQTTXDM-UHFFFAOYSA-N 448.424 2.345 0 40 IEAB Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(CC(=O)N4CCCCCC4)C3=O)ccc21 9259849 NDKLVQLDTGTLEC-SFQUDFHCSA-N 428.514 2.316 0 40 IEAB CN1CCN(c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2)CC1 9643254 QEBPVABPZQMTIJ-KRWDZBQOSA-N 436.512 2.201 0 40 IEAB COc1ccc(OC)c(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3C)c(=O)n2C)c1 10102808 ZVVSDPKZJHZTHG-UHFFFAOYSA-N 447.495 2.422 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CCCN(C)C 10104034 BDOIXKJLDIXRGA-UHFFFAOYSA-N 442.951 2.420 0 40 IEAB COc1ccc(OC)c(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c1 10512289 LIGOJRRXUDWHGQ-UHFFFAOYSA-N 446.529 2.412 0 40 IEAB CC(=O)N1CCC[C@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)NCc2nccn2C)C1 12087522 QUFGGVQJMNQDIC-AUSIDOKSSA-N 441.507 2.387 0 40 IEAB Cc1nccc(-c2sc(C3CCN(C(=O)CN4CCC(C(N)=O)CC4)CC3)nc2C)n1 12668094 BGEYUNKBZHTLPX-UHFFFAOYSA-N 442.589 2.120 0 40 IEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 13012368 BERSZNHGDWZPEX-UHFFFAOYSA-N 433.505 2.045 0 40 IEAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccccc3F)cc2)C1=O 13728805 WPYFAALEXIDKBC-UHFFFAOYSA-N 440.518 2.049 0 40 IEAB Cc1ccc(CN(CCc2ccccc2)CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)s1 16397193 ZAQMSRXWLPLDRT-SFHVURJKSA-N 449.598 2.114 0 40 IEAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1nccs1 16641571 DQYKFGNDTSWXDS-UHFFFAOYSA-N 442.950 2.048 0 40 IEAB CC(=O)N1CCN(Cc2c3cc(C)cn(CC(=O)N(C)C)c-3nc2C(F)(F)F)CC1 19124805 GRFLPRRJYBPDCP-UHFFFAOYSA-N 425.455 2.067 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)cc1 19448321 LUWVTUUJFUEKES-LJQANCHMSA-N 432.546 2.071 0 40 IEAB CCN(Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)o1)S(C)(=O)=O 19526606 YSESOEVJUCXUOA-QUCCMNQESA-N 441.500 2.449 0 40 IEAB Cc1noc(C)c1C(=O)N1C[C@H](C(=O)NC(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 19580151 MRUMYLGWWFGWTG-ROUUACIJSA-N 440.548 2.452 0 40 IEAB Cc1ccc(C(=O)N2CCC(N3C(=O)NC4(CCN(C(=O)C(C)C)CC4)C3=O)CC2)s1 19699365 KMUDBFOPBKBWMG-UHFFFAOYSA-N 446.573 2.230 0 40 IEAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20459828 AKJQOMZJLLOLOK-AUUYWEPGSA-N 431.514 2.381 0 40 IEAB CC[C@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(OC)cc1 22372928 MLVMVJNOADUDGR-SFHVURJKSA-N 434.514 2.500 0 40 IEAB O=C(CN1CCN(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)CC1)NC1CC1 22783345 QWXFDBDEJSDWCS-QFIPXVFZSA-N 434.540 2.050 0 40 IEAB O=C(NCc1ccccc1Cn1ccnc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32860005 CXWPBUDIECGJBH-IBGZPJMESA-N 432.480 2.372 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1C 35262619 MTDUNLXFTFCWGC-HXUWFJFHSA-N 425.485 2.001 0 40 IEAB O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CC(=O)N(C2CC2)C1 40087045 RFGZUQCMFYTTPL-INIZCTEOSA-N 438.494 2.345 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 44908728 GTACRADBEAZCRT-MGPUTAFESA-N 434.514 2.114 0 40 IEAB COc1nn(C)cc1C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 49486148 FNWXLQFVCCBFSL-LJQANCHMSA-N 427.480 2.454 0 40 IEAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2cnnn2-c2ccccc2Cl)cc1 58157749 AMFQEBLDKAYARS-UHFFFAOYSA-N 440.891 2.444 0 40 IEAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCC[C@H]2C(=O)O)c2ccc(Br)cc21 101095328 HUIMVUVIVRHASD-SWLSCSKDSA-N 425.235 2.163 0 40 IEAB COc1ccc(Cl)cc1NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 105695302 RDTBLYSMLCUTFU-OAQYLSRUSA-N 443.891 2.246 0 40 IEAB CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccccc1)S(C)(=O)=O 224734183 SAIJTZNYMVLHJG-QFIPXVFZSA-N 445.585 2.380 0 40 IEAB COc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)cc1 225159136 PZNCATZOIFGXMN-UHFFFAOYSA-N 448.526 2.465 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 225474093 PKZCGVFQPFXJHT-XOBRGWDASA-N 434.514 2.498 0 40 IEAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 306141624 WCEGGZIDLLWJSN-RTBURBONSA-N 431.496 2.241 0 40 IEAB O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)NC[C@@H]1COc2ccccc2O1 527507697 KLVLAHDAJXTVJS-LJQANCHMSA-N 445.541 2.251 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3cccc(C(F)(F)F)n3)C2)cc1 575608749 XXXFUDBLIYFJFL-UHFFFAOYSA-N 429.420 2.254 0 40 IEAB COc1ccc(-c2coc3cc(OC(=O)COC(=O)CCO)c(OC)cc3c2=O)cc1 2060993423 CEBXQGCRGDQYKI-UHFFFAOYSA-N 428.393 2.308 0 40 IEAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 2642446 FHEAKFLOZRQRKH-LJQANCHMSA-N 435.267 2.498 0 40 IEAB C[C@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)cc2NC1=O 3456342 KKGKFUJZVBRUKV-GFCCVEGCSA-N 437.568 2.328 0 40 IEAB COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 6076993 XWXBLXBSUUEEQH-UHFFFAOYSA-N 447.557 2.110 0 40 IEAB CCCCn1c(N)c(N(C(=O)CN2CCc3ccccc32)C2CCCC2)c(=O)[nH]c1=O 7348166 FEVGKHHDVKOFBY-UHFFFAOYSA-N 425.533 2.257 0 40 IEAB CC(=O)N1CCN(c2ccc(Oc3ccc(S(=O)(=O)N4CCCC4)cn3)cc2)CC1 8826483 RNXKLHUPDDOAGR-UHFFFAOYSA-N 430.530 2.327 0 40 IEAB C[C@H](NC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1 9053006 ONZXUKUCRXXRMJ-HKUYNNGSSA-N 429.542 2.081 0 40 IEAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCC(=O)NCc1ccc(F)cc1 9761858 VSKVZMRYZBTCOB-UHFFFAOYSA-N 443.406 2.383 0 40 IEAB O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 9794349 FPWUYABPJQTDGM-UHFFFAOYSA-N 449.554 2.399 0 40 IEAB Cc1ccc2c(c1)oc(=O)n2CCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 12188676 AACSJLFUPOGPSX-UHFFFAOYSA-N 429.498 2.263 0 40 IEAB COc1cc(-c2nnc(SCC(N)=O)n2-c2ccc3c(c2)OCO3)cc(OC)c1OC 12418822 ATYZSMMAOAHRHB-UHFFFAOYSA-N 444.469 2.266 0 40 IEAB biogenic,in-vitro O=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)Nc1cc(Cl)cc(Cl)c1 12444067 SIHIZLQAKVCUKP-UHFFFAOYSA-N 442.284 2.200 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 12559467 MKZMOKXXGLXCRO-UHFFFAOYSA-N 444.488 2.371 0 40 IEAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(OC(F)(F)F)cc1 12813444 XXQBFRJDLHDJJA-UHFFFAOYSA-N 426.347 2.320 0 40 IEAB NC(=O)c1ccccc1NC(=O)CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 13572199 XVNSOJGJCQQXSV-KGLIPLIRSA-N 442.566 2.023 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CC1 13627863 SKGXHZJSNNRIGR-DOXZYTNZSA-N 439.553 2.036 0 40 IEAB CCN1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)cc2)CC1 19527836 VCBPCOLTNOBZCA-UHFFFAOYSA-N 431.558 2.363 0 40 IEAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2n[nH]c(=O)[nH]2)C1 19528566 AKJBYTQHBSZPNC-XMMPIXPASA-N 433.512 2.366 0 40 IEAB CN(C)c1ncc(CN2CCO[C@H](c3c(C(=O)NCCO)sc4ccccc34)C2)cn1 19696933 PXMUXMJDTNDSHX-KRWDZBQOSA-N 441.557 2.053 0 40 IEAB COc1ccc(-c2csc3c2c(=O)n(C)c(=O)n3CC(=O)NCc2ccco2)cc1 32073047 BXLVVEPNUKWTFU-UHFFFAOYSA-N 425.466 2.347 0 40 IEAB Cc1ccn2c(=O)cc(COC(=O)c3cc(S(=O)(=O)NC4CC4)ccc3C)nc2c1 32868738 LGWPEKFMPBMZHO-UHFFFAOYSA-N 427.482 2.109 0 40 IEAB CC(C)(C)NC(=O)[C@H]1N(C2CC2)C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@]3(C)C=C[C@]12O3 35314714 IBMQHRGDYFQPOV-GKLLFLKISA-N 429.561 2.053 0 40 IEAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1nc(N2CCOCC2)ncc1Cl 40141452 WRSDEKSDHOFKCB-AWEZNQCLSA-N 427.896 2.381 0 40 IEAB CN1CCN([C@H](CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2cccs2)CC1 48302937 PGANBLVUIICQOW-RTBURBONSA-N 433.622 2.081 0 40 IEAB O=C(NCc1cccc(Br)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 58688278 BLGAEZKSTREVPA-UHFFFAOYSA-N 439.331 2.400 0 40 IEAB COC(=O)c1cc(Cl)c(NC(=O)NCCCn2nc3ccccn3c2=O)cc1OC 65613926 FPXDSXBNIBWGEN-UHFFFAOYSA-N 433.852 2.156 0 40 IEAB Cn1cc(CN2CCCN(Cc3nnc(C(=O)NCc4ccc(F)cc4)s3)CC2)cn1 89755752 ITLVMRSXABEIBU-UHFFFAOYSA-N 443.552 2.049 0 40 IEAB COc1cn(CC(=O)NC2CCCC2)c(CN2CCO[C@H](c3ccccc3)C2)cc1=O 96117374 PMZMTKPKUYYVHN-QFIPXVFZSA-N 425.529 2.489 0 40 IEAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1 100201234 DJDFGWYRVHKPDU-QZTJIDSGSA-N 441.557 2.116 0 40 IEAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101362892 VETIPRLHUXVWSV-PTEAOKNESA-N 425.466 2.124 0 40 IEAB CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3cnn(CC)c3C)C2)c(C)n1 103425940 UYLOKVBCKFKKHH-RHSMWYFYSA-N 436.582 2.014 0 40 IEAB COc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223166928 PSCQVFFRGFCBBC-HZPDHXFCSA-N 436.530 2.442 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(CC(N)=O)cc2)cc1C 226065412 KCIJSAJANITGPB-UHFFFAOYSA-N 433.530 2.071 0 40 IEAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)C(=O)Nc1cccc(N2CCCC2=O)c1 238816733 BQGBKMMMUOBQAG-JOCHJYFZSA-N 439.493 2.459 0 40 IEAB CC(C)N1CCNC(=O)[C@H]1CC(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1 257246747 IVRBAACZOJHTAJ-JOCHJYFZSA-N 446.555 2.364 0 40 IEAB CN(C[C@]1(O)CCN(c2cccc3nccn23)C1)C(=O)c1cccc(Cn2ccnc2)c1 257250268 JLVCEVQXHVLVTA-XMMPIXPASA-N 430.512 2.293 0 40 IEAB CCOC(=O)C(=O)c1csc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)n1 3253238 WDDJCGKOJGHGOX-UHFFFAOYSA-N 428.451 2.364 0 40 IEAB O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1F)NC[C@H]1CCCO1 4411535 ATNMJVMHZOMCIQ-CQSZACIVSA-N 434.493 2.329 0 40 IEAB Cc1ccc(N2C[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1 8601593 IMWDPGDJZYWTIQ-SFHVURJKSA-N 427.526 2.315 0 40 IEAB COc1cc2c(c3oc(=O)c(CCC(=O)NC(C)(CO)CO)c(C)c13)CCC(C)(C)O2 8764413 JMCBESOKUXHPRN-UHFFFAOYSA-N 433.501 2.006 0 40 IEAB biogenic CCCCNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 9057778 TZXCQGCTOLMCBU-UHFFFAOYSA-N 438.513 2.333 0 40 IEAB C[C@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc(C(F)(F)F)cc1 9666439 MEIDEFCFKQDYKU-NSHDSACASA-N 427.379 2.440 0 40 IEAB COc1ccc(CNC(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)cc1OC 12003314 XPICAHFBDNKPIO-UHFFFAOYSA-N 438.889 2.354 0 40 IEAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1 12229946 LWQYGTIFTDGGBK-UHFFFAOYSA-N 429.546 2.260 0 40 IEAB COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 12876204 URNPXUAYJMSLHZ-OAQYLSRUSA-N 431.558 2.178 0 40 IEAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1 13117133 ULYVTFIOHWQUIO-CALCHBBNSA-N 432.542 2.466 0 40 IEAB Cn1c(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)nnc1SCc1ccccc1 13565271 JAJSVPMTHTYTEE-UHFFFAOYSA-N 446.554 2.400 0 40 IEAB CCn1cc(C(=O)NCCC(=O)NCCc2cccs2)c(=O)c2cc3c(cc21)OCO3 13624910 WUCPOJFIYCCPBI-UHFFFAOYSA-N 441.509 2.290 0 40 IEAB CCCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OC 14291958 SSCXGDGXUXMIMY-UHFFFAOYSA-N 431.558 2.342 0 40 IEAB COc1ccc2c(CN3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)cc(=O)oc2c1 15048292 KQOMIPGDLMWECF-QFIPXVFZSA-N 436.464 2.428 0 40 IEAB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)c2ccccc2O1 18940815 CGVZAULYERYKQO-LJQANCHMSA-N 432.498 2.346 0 40 IEAB CN(C)Cc1ccc(CNC(=O)[C@@H]2[C@H](C(=O)N(C)C)[C@]2(C)C(=O)c2ccccc2N)cc1 19576052 CYGXWOUZFIDRPZ-BPYKYCOYSA-N 436.556 2.170 0 40 IEAB CNc1nc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)nc2c1CCN(C(C)=O)C2 19707520 AHWVZJQHRZHQHN-LJQANCHMSA-N 427.480 2.305 0 40 IEAB CN1CCN(C(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)[C@@H](c2ccccc2)C1 19708126 YZWFOYJIYZFAAA-JOCHJYFZSA-N 442.585 2.350 0 40 IEAB COc1ccc(CN(C)C(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC 20462036 BAAKVZFWFITOEJ-UHFFFAOYSA-N 428.457 2.407 0 40 IEAB COc1ccc(-c2noc(CN3CCN(CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)n2)cc1 22935590 GXFYUOGJBQBMQU-QZTJIDSGSA-N 427.549 2.367 0 40 IEAB CCCCc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)s1 29378659 AWPVFZOMQXQCGV-UHFFFAOYSA-N 440.547 2.301 0 40 IEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 29796954 CEDZPLSGARQGIA-QGZVFWFLSA-N 441.509 2.250 0 40 IEAB COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c1OCC(=O)O 33546653 UQMWDSKQTSEOMR-MHWRWJLKSA-N 448.497 2.453 0 40 IEAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2cc(Cl)ccc2OC)cc1 33670290 CRHXBOCSQVLNDM-UHFFFAOYSA-N 433.848 2.219 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(=O)N3CCc4ccccc4[C@H]3C2)cc1 36108725 WLWZSRBBWKXITM-OAQYLSRUSA-N 441.553 2.299 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3cccs3)CC2)cc1 38731318 UPINFJWYUWWRLI-ZWKOTPCHSA-N 447.582 2.087 0 40 IEAB COC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@H]1c1ccccc1 57414256 LKNUFJJVRLIBSY-QFIPXVFZSA-N 436.512 2.298 0 40 IEAB CN(C)c1ccc(NC(=O)CSc2cc(-n3ccc(C(=O)NC4CC4)n3)ncn2)cc1 57520093 NPEXWQLVFGHOSU-UHFFFAOYSA-N 437.529 2.351 0 40 IEAB Cc1nc(C2CCN(C(=O)[C@@H](C)Cn3ccnc3C)CC2)nc(N2CCOCC2)c1C 72337188 CXJNLLJBVGCVKS-INIZCTEOSA-N 426.565 2.477 0 40 IEAB CNc1nc(C2CCN(C(=O)CC[C@H](C)N3CCCC3)CC2)nc2c1CCN(C(C)=O)C2 72372407 WUHICWUKJXYEFS-KRWDZBQOSA-N 442.608 2.393 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2nnn(-c3ccc(Br)cc3)n2)CC1 77100485 KBXJMSMRZFUODK-UHFFFAOYSA-N 443.305 2.396 0 40 IEAB O=C(Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1)c1cn(-c2ccc(F)cc2)nn1 78732776 MPZOJNLGVFHVEV-UHFFFAOYSA-N 435.463 2.410 0 40 IEAB COc1cccc(C(=O)NCC(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c1 96099457 HOYQUQLHVCCWLW-UHFFFAOYSA-N 434.489 2.029 0 40 IEAB O=C(CN1C(=O)C[C@H](Cc2ccccc2)C1=O)N1CCC(n2c(=O)oc3ccccc32)CC1 100173523 GOJPWHNUYFTGAO-SFHVURJKSA-N 447.491 2.376 0 40 IEAB C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100538050 DVSSZZYKNXCIRL-CFXSOUKZSA-N 432.270 2.371 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 222622918 QTEPDEQWWAGEKD-HNNXBMFYSA-N 425.460 2.365 0 40 IEAB COC(=O)c1ccc(CS(=O)(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 223637760 RKODRXCVLSAFGI-UHFFFAOYSA-N 447.469 2.160 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225206439 FLHBYFNJSRELNF-SFHVURJKSA-N 431.558 2.396 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225421097 VKFWPUANUFFLTH-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB CN1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H]1c1cccc(C(=O)O)c1 257256956 KNNNEAIRQQMHEO-JOCHJYFZSA-N 438.528 2.149 0 40 IEAB CN(C[C@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)c1cccc(OCCCN)c1 257303202 SGEQCSVZXHGYFP-RUZDIDTESA-N 449.555 2.461 0 40 IEAB O=C(NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1ccnc(OC2CCOCC2)c1 390827607 IGVAGRRBHXMTFK-QGZVFWFLSA-N 441.440 2.123 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 408607594 MWKAKAUHKKTWQV-UHFFFAOYSA-N 447.557 2.474 0 40 IEAB COc1cc([C@H](CC(=O)N[C@@H]2CN3CCC2CC3)c2oc(C)cc(=O)c2O)ccc1O 524730749 VZAONEAAWRGSAA-DLBZAZTESA-N 428.485 2.100 0 40 IEAB biogenic Cc1ccc(CC(=O)N2CCO[C@@]3(C2)C(=O)N(CCN(C)C)C[C@@H]3c2ccccc2)cc1 585106742 HAJDXASMFRHZFM-ZEQKJWHPSA-N 435.568 2.323 0 40 IEAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)c4ccsc4C)C[C@H]23)n1 1549162041 MISIUUZLAMRECU-KRWDZBQOSA-N 427.530 2.471 0 40 IEAB Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 1565524235 BZLHKLJFMBCLJZ-UHFFFAOYSA-N 435.459 2.277 0 40 IEAB CN1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCN(C(=O)NC2CCCC2)CC1 1772595340 NZGFYRAPNMJIIM-OAQYLSRUSA-N 425.577 2.089 0 40 IEAB NS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3)c2)cc1 1848351786 CKCHCJKXHLQQRO-QFIPXVFZSA-N 449.532 2.184 0 40 IEAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3275281 CLVIHAYIRRPJOF-UHFFFAOYSA-N 426.256 2.310 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)c1C 3570032 YYRLILOESVMRHY-UHFFFAOYSA-N 449.617 2.450 0 40 IEAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)NC2CCCCC2)C1)c1cnccn1 4236203 AWGWUWPDIRJLIR-JKSUJKDBSA-N 436.516 2.352 0 40 IEAB biogenic,in-vitro COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)NCc3ccccc3OC)C2=O)cc1 7411571 QTHRXYTXRMHWEI-HSZRJFAPSA-N 425.485 2.263 0 40 IEAB CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccc(F)cc3)c2n1 8793891 XCJOFEWFWYLTOD-UHFFFAOYSA-N 430.509 2.344 0 40 IEAB Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)CC(C)(C)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039835 AIGHUDDSVIQSSC-TZMCWYRMSA-N 426.521 2.022 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)N2N=CC=C[C@H]32)cc1 9331892 UTYXMQOBMVGVFW-NCYKPQTJSA-N 429.432 2.209 0 40 IEAB O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 9426587 CXJTZZGZZGJQNN-SFHVURJKSA-N 439.487 2.328 0 40 IEAB CC(C)c1ccc(Nc2nnc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)s2)cc1 9507221 SECURAYMIFBPEN-UHFFFAOYSA-N 446.558 2.360 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)cc1 9569130 YHVWMVKILXLAAF-UHFFFAOYSA-N 426.516 2.435 0 40 IEAB C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9948439 DSBRDFKNQXGRDP-SECBINFHSA-N 443.455 2.011 0 40 IEAB COc1ccc(NC(=O)COc2coc(CSc3nncn3C)cc2=O)c(OC)c1 10220365 MXQKZICEMUGSJZ-UHFFFAOYSA-N 432.458 2.095 0 40 IEAB Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)N1CCCCCC1 11898749 VABGVPAUKISPJB-LJQANCHMSA-N 426.517 2.104 0 40 IEAB Cc1nn(-c2nc3c(c(=O)n(CCN4CCCCC4)c(=O)n3C)n2CC(C)C)c(C)c1C 12518210 XWXGBENLAUSKEH-UHFFFAOYSA-N 441.580 2.150 0 40 IEAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 12529217 ABDWEWILJCEGQN-UHFFFAOYSA-N 439.534 2.032 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)n(C)c1 12551326 WTXCNYWSIMEWRK-NSHDSACASA-N 425.461 2.212 0 40 IEAB CCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)c1 13038498 GFMYAXWZATYVLZ-HZPDHXFCSA-N 445.541 2.487 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)CC1 14627197 HOYJBNZHFKPOFZ-UHFFFAOYSA-N 426.502 2.335 0 40 IEAB C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC(=O)NC(C)(C)C 15695539 GCDPLPPPHBRRKQ-AWEZNQCLSA-N 439.534 2.031 0 40 IEAB O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCCN3C(=O)c3cc[nH]n3)[nH]c(=O)c2C1 19292545 YKDYEMWGTYKYLQ-LJQANCHMSA-N 438.532 2.325 0 40 IEAB Cc1ccccc1NC(=O)CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2 21264319 WPOZFUWNKFCFRV-UHFFFAOYSA-N 428.558 2.103 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 22248804 AXJDMLKYSDZRJT-UHFFFAOYSA-N 439.921 2.487 0 40 IEAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22799284 OPVPSXMOBXXEGW-NRFANRHFSA-N 437.540 2.038 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)c2cccc(Cl)c2)c1 25191686 KBPDDRLPXNRAMC-AWEZNQCLSA-N 425.938 2.410 0 40 IEAB COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c2ccccc2O1 32983164 RIYATJBJOILIJD-HXUWFJFHSA-N 444.509 2.360 0 40 IEAB Cc1noc(C)c1COc1cccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 35336600 BDQIMWOVXBVWJM-UHFFFAOYSA-N 426.517 2.251 0 40 IEAB CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 59118688 DWCKUFHUVIJCHI-OAHLLOKOSA-N 442.541 2.368 0 40 IEAB CCOc1ccc(-n2ccn(CC(=O)NCCc3ccc(Cl)cc3)c(=O)c2=O)cc1 67256074 HENZXQNFQRRYPI-UHFFFAOYSA-N 427.888 2.410 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@@](C)(O)C1)n2CC 72312618 ZQMAFNMRPGHXTH-OAQYLSRUSA-N 436.578 2.003 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCSCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 210539355 SXLFKCMSMUHIIZ-TZIWHRDSSA-N 437.565 2.342 0 40 IEAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1N1CCCC1=O 219229934 IHKIMMNRYIMDCZ-UHFFFAOYSA-N 428.470 2.351 0 40 IEAB COc1ccccc1OC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224463271 WODBNJKQPTVSIU-NSHDSACASA-N 428.536 2.277 0 40 IEAB C[C@@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)NCCN2CCOCC2)n1 225903138 LRISEJJDPGZQPW-QGZVFWFLSA-N 433.626 2.074 0 40 IEAB S=C(NCc1ccc(Cl)cc1)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 225933935 PDIVFVXRKGUYAQ-UHFFFAOYSA-N 448.980 2.290 0 40 IEAB CCN1CCN(C(=O)C2=NNC(=O)CC2)[C@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O 257201678 AINLXCXBSFELOZ-JOCHJYFZSA-N 448.523 2.230 0 40 IEAB O[C@@]1(Cn2cccn2)CN(Cc2ccccc2)CCN(Cc2ccnc(N3CCCC3)n2)C1 257225221 FFIVOPGZBCCYHU-VWLOTQADSA-N 447.587 2.022 0 40 IEAB CN(C)c1ncc(C(=O)N2CCC3(CC2)CO[C@]2(C)CC[C@@H](C(C)(C)O)O[C@H]2C3)cn1 257308905 TYRTWJBZHSJZMA-NPPFBWRTSA-N 432.565 2.263 0 40 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PXPNAIMZECLEJW-CQSZACIVSA-N 426.427 2.227 0 40 IEAB CC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)nc1C 9632207 WTQDLJTVBSIIGI-UHFFFAOYSA-N 427.479 2.066 0 40 IEAB CN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 9980652 ZLOQYWZEFUADED-CYBMUJFWSA-N 426.589 2.003 0 40 IEAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1ncc2ccccc2c1=O 12182441 YDTBDTVVNRQXFW-MRXNPFEDSA-N 435.509 2.277 0 40 IEAB O=C(C[C@H]1NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O)N1CCCC1 12539014 DEGCEMZEOAYVJD-QFBILLFUSA-N 434.496 2.088 0 40 IEAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)cc1F 12997800 YHEFUVVWCIVPPM-ZFWWWQNUSA-N 435.525 2.442 0 40 IEAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1c(C(=O)N3CCOCC3)oc3ccccc13)CS2 14672477 IGMQASDDVRTHJS-QKKBWIMNSA-N 429.498 2.298 0 40 IEAB CCOc1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1S(=O)(=O)N(CC)CC 15811979 MTPLDRJOBYNFFM-UHFFFAOYSA-N 446.533 2.423 0 40 IEAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1F 16995150 OOEQLEFIKLOYTK-FATZIPQQSA-N 439.443 2.398 0 40 IEAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)N1CCN(c2ccccc2F)CC1 19111723 FMXRYMFMLYMZMN-UHFFFAOYSA-N 441.532 2.394 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@H](c2nc(-c3cccs3)no2)C1 19344739 WMEHDQOBCIDANR-HNNXBMFYSA-N 435.483 2.332 0 40 IEAB O=C(Cc1ccccc1F)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 19348046 QERYMFSKTUYDGX-KRWDZBQOSA-N 438.503 2.152 0 40 IEAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN(CC(=O)N4CCC4)C3)nc21 19743755 XLUZRCJEBUABIS-IBGZPJMESA-N 449.555 2.295 0 40 IEAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1OC 20019480 WKYBXOYAYNBFLK-UHFFFAOYSA-N 436.530 2.333 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1C 20111339 VQZBLJBEROPSFY-UHFFFAOYSA-N 428.532 2.500 0 40 IEAB Cc1nccn1-c1ccccc1CNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20483848 FKFUGXYMOUJKEW-HXUWFJFHSA-N 426.498 2.024 0 40 IEAB O=C(CCn1cnc2ccc(Br)cc2c1=O)Nc1cccc(-n2cnnn2)c1 22415669 KBYDKNSCDMOUTE-UHFFFAOYSA-N 440.261 2.164 0 40 IEAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 25984602 OWJTVSYCORPFJK-WBVHZDCISA-N 436.917 2.449 0 40 IEAB COc1ccc(S(=O)(=O)N(Cc2cccc(OC)c2)[C@H]2CCS(=O)(=O)C2)cc1 35672543 HJEQXHIYEKWSAC-INIZCTEOSA-N 425.528 2.082 0 40 IEAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCOCC3)c2c1 36358203 AISBDOYXQQYBGB-VCBZYWHSSA-N 427.457 2.231 0 40 IEAB CS(=O)(=O)N1CC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)Oc2ccccc21 38851304 LBUSBDJYBZZZLO-HXUWFJFHSA-N 433.505 2.092 0 40 IEAB Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccc(CN3CCCC[C@H]3C)cc2)cn1C 57265527 DGNDQAQGHQJPSR-QGZVFWFLSA-N 447.605 2.088 0 40 IEAB CSCC[C@@H](NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)c1nnc2ccccn12 72296375 HUHKRMDOPIDPOW-OAHLLOKOSA-N 433.559 2.218 0 40 IEAB O=C1N[C@]2(CC[C@@H]3CN(Cc4ccnc(N5CCSCC5)n4)C[C@@H]32)Nc2ccccc21 72326864 SXNVLIPONKWLIZ-ICPLQIHGSA-N 436.585 2.423 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@@H](C)C(=O)NC[C@H]3CCCO3)CC1)CC2=O 72327713 FBCPUZNFSYFUEH-JCEJCQQGSA-N 430.501 2.095 0 40 IEAB CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)C(=O)NC1CC1 84240855 VXPPCLGDOFYKEF-SFHVURJKSA-N 447.532 2.188 0 40 IEAB CN(C)[C@@H](C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)c1c(F)cccc1F 95455818 YCZYVIYQTAMXAW-LJQANCHMSA-N 442.484 2.440 0 40 IEAB COc1cc(F)c(S(=O)(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)cc1OC 95460457 BAPHZGXMOXUVPF-UHFFFAOYSA-N 434.449 2.237 0 40 IEAB COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)nc2ccc(C)cn2c1=O 96115705 CKSGDAYYIXCDKK-HNNXBMFYSA-N 435.436 2.254 0 40 IEAB biogenic O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1C[C@@H]2C[C@@H](C1)C1=[N+](C2)C(=O)CC=C1 101362922 HQRRSAOXPVENFX-PTEAOKNESA-N 442.542 2.203 0 40 IEAB C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3CN3C[C@@H](C)O[C@H](C)C3)ccc2N1S(C)(=O)=O 106756129 QTJBCIXQFLMWNQ-XLSPSMHOSA-N 435.590 2.111 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223074383 BMWRJUHSQDAPQJ-HXUWFJFHSA-N 431.558 2.314 0 40 IEAB CC(=O)NCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(C(C)(C)C)CC1 257237676 HHPBXTHUDWQAJY-SCPDWHHUSA-N 449.567 2.085 0 40 IEAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@H]1CCCN(C[C@H]2CCOC2)C1 257240974 HWAOFJKEYSRTGL-YADHBBJMSA-N 440.588 2.116 0 40 IEAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccc(OCCCN)c3)C2)c2cnccc2n1 257280311 OKIWQYBVXYUUGE-VWLOTQADSA-N 449.555 2.379 0 40 IEAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCN(C)C[C@](O)(Cn4ccnc4C)C3)c2)n1 257344807 ZYTCZMDNTLDMOO-DEOSSOPVSA-N 449.559 2.161 0 40 IEAB COc1ncc(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4ccc(F)cc4F)C3)C2)cc1C 2056226567 VCIKYCQTMZKHHY-NZQKXSOJSA-N 447.482 2.353 0 40 IEAB CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCN1C(=O)c2ccccc2C1=O 1774465 POICKAWJMKEXLV-HXUWFJFHSA-N 433.464 2.445 0 40 IEAB Cc1ccc2nc3c(c(C(=O)OCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)c2c1)CCCC3 3361906 BGNJJVHCGZRZHR-OAHLLOKOSA-N 430.526 2.224 0 40 IEAB CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)NC(=S)N[C@]1(O)C(F)(F)F 6147987 USWKMVUNMKVHGY-GBIKHYSHSA-N 427.242 2.398 0 40 IEAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 8726313 QMSFAKRBVUSPAO-HNNXBMFYSA-N 427.505 2.443 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 8816451 PCHDRACWMNRZEB-AWEZNQCLSA-N 426.425 2.260 0 40 IEAB O=S(=O)(NC[C@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 9005308 DJDOHHXKWPXNII-HXUWFJFHSA-N 446.506 2.304 0 40 IEAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NN1C(=O)NC2(CCCCC2)C1=O 9643443 SZMICSYCVUZOEY-UHFFFAOYSA-N 449.678 2.485 0 40 IEAB Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1S(=O)(=O)N1CCOCC1 9665414 TZNWVZOHJTXKIG-UHFFFAOYSA-N 445.541 2.105 0 40 IEAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)/C=C/c1ccccc1)CC2 10705436 MBEGRRBFROYTSA-CMDGGOBGSA-N 430.526 2.221 0 40 IEAB C[C@H](CNC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2)c1ccccc1 12086612 LOMNMTWZMQALES-CJAUYULYSA-N 435.524 2.480 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N1CC[C@H]3CCCC[C@@H]3C1)c(=O)n2Cc1ccccc1 12506925 GUBPQPRYVLWJFE-WOJBJXKFSA-N 449.555 2.467 0 40 IEAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2cn3ccccc3n2)CC1 12535767 NNQZEGDJBYAWGP-UHFFFAOYSA-N 432.933 2.106 0 40 IEAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1Br 12856691 PVEWHSIQQXFUMS-NHYWBVRUSA-N 443.319 2.150 0 40 IEAB CCCc1noc(CCC(=O)N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)n1 12920624 LGMJHXKCJXJKBM-UHFFFAOYSA-N 434.562 2.413 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2N2CCC[C@@H](C(N)=O)C2)cc1 13026943 XHDLVIUVKQLJLT-MRXNPFEDSA-N 439.541 2.465 0 40 IEAB COc1ccc(CC(=O)NCc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 13145806 XWLKLRWAQKVENN-UHFFFAOYSA-N 438.933 2.228 0 40 IEAB CN1C(=O)/C(=c2\sc3nc(-c4ccccc4Br)nn3c2=O)c2ccccc21 13748726 KXSFUULCWJIJSW-PFONDFGASA-N 439.294 2.475 0 40 IEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnc(Cc2ccccc2F)n1N 14069098 PWBNQHDKORAFGZ-UHFFFAOYSA-N 443.504 2.244 0 40 IEAB C[C@@H](NC(=O)c1cccc(I)c1)c1ccc(S(N)(=O)=O)cc1 17852160 XUIAMMSVJFNFGO-SNVBAGLBSA-N 430.267 2.430 0 40 IEAB CCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)c1 18210589 GFMYAXWZATYVLZ-IYBDPMFKSA-N 445.541 2.487 0 40 IEAB CCCn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)CC)C3)cn1 19526084 OIGRHPFMFKRQRD-GOSISDBHSA-N 426.521 2.039 0 40 IEAB COCCn1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc2C1 19593918 VBSZRWOKJYWBPJ-QFIPXVFZSA-N 446.511 2.317 0 40 IEAB O=C(NCCO)c1sc2ncccc2c1[C@H]1CN(C(=O)c2cc(C3CC3)on2)CCO1 19702868 GSUAYXABMLQSPP-MRXNPFEDSA-N 442.497 2.098 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCCC2)Oc2ccccc21 20487041 QTCUQCJTKGCMEK-LJQANCHMSA-N 429.498 2.088 0 40 IEAB COc1cc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ncccn2)ccc1OCC(N)=O 20733489 QBYWMVCJRFBVMP-SFHVURJKSA-N 440.485 2.268 0 40 IEAB Cc1ccc(NC(=O)NC(=O)COC(=O)CCN2C(=O)COc3ccccc32)cc1C 21740796 QNZJSCCKYNISTE-UHFFFAOYSA-N 425.441 2.310 0 40 IEAB C[C@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 22228314 JKOIBRYWOOGNFS-SFHVURJKSA-N 443.569 2.397 0 40 IEAB COC(=O)/C=C(\C(=O)OC)c1ccccc1[C@@H](C(=O)OC)c1ccccc1CC(=O)OC 31750948 FEHZWAUEBANTQK-DJAVKIJBSA-N 440.448 2.436 0 40 IEAB CC(=O)NCCc1ccc(C(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 48355367 SPPWLHIBDLCMHA-UHFFFAOYSA-N 431.558 2.372 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 57414599 MTOLFLRLXJNOFD-QFIPXVFZSA-N 436.512 2.298 0 40 IEAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 61718995 GWDJGTUFVNPYNO-KRWDZBQOSA-N 441.484 2.270 0 40 IEAB Cc1oc(C2CC2)cc1C(=O)N1CCC(c2c(S(C)(=O)=O)cnc3ncnn23)CC1 72334960 WKQGGEBFXDRCHB-UHFFFAOYSA-N 429.502 2.326 0 40 IEAB O=C([C@@H]1CCCO1)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)CC1 72398942 LNMPRHFOIOOMHK-IBGZPJMESA-N 428.558 2.275 0 40 IEAB Cc1ccc(N2CCN(C(=O)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)c(C)c1 72404254 JBLVYYTWARPUDZ-IBGZPJMESA-N 430.574 2.439 0 40 IEAB C[C@@H]1CN(CC(=O)NCC(=O)N2CCCC2)c2ccccc2CN1C(=O)OC(C)(C)C 95441410 VAOVLQUKBXRSKV-QGZVFWFLSA-N 430.549 2.371 0 40 IEAB CCCCCn1c(N2CCN(CCCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 96306421 QZLKWFPOMPMMDH-UHFFFAOYSA-N 438.576 2.368 0 40 IEAB CCN(C(=O)[C@H](C)OC(=O)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC)c1ccccc1 102077939 PBZNCSMKDKEGQJ-HNNXBMFYSA-N 444.484 2.085 0 40 IEAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223473149 ROOVCDZEOFCIBN-OAQYLSRUSA-N 445.585 2.357 0 40 IEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)n2)c(OC)c1 223765043 ZEUHYBNLQWXMLT-UHFFFAOYSA-N 433.442 2.004 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC[C@@H]1COc2ccccc2O1 225255619 RTMUJCXWCOIJKO-OAHLLOKOSA-N 432.498 2.050 0 40 IEAB COc1cccc(N2C[C@@H](NC(=O)c3ccnc(OCC4CCOCC4)c3)CC2=O)c1 245053665 PFQNXUQDOBRIMV-SFHVURJKSA-N 425.485 2.431 0 40 IEAB O=C(CC1CC1)N1CC[C@@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306143957 YRVWXOWRNJGAIJ-JOCHJYFZSA-N 427.526 2.436 0 40 IEAB O=C(CN1CCN(c2nccc(-c3ccncc3)n2)CC1)N1CCN(c2ccccc2)CC1 2087065435 UHPRIWHCGUJMFE-UHFFFAOYSA-N 443.555 2.009 0 40 IEAB O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1F)NC[C@@H]1CCCO1 4411534 ATNMJVMHZOMCIQ-AWEZNQCLSA-N 434.493 2.329 0 40 IEAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12)c1ccco1 8791968 CVFOSZGCGDKQLF-IBGZPJMESA-N 433.512 2.007 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 9125425 DJDADRNXLKYRLM-UHFFFAOYSA-N 434.905 2.247 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(N)s3)[C@H]2C(C)C)cc1 9227644 BZWUFOOAIJBDIS-OAHLLOKOSA-N 441.604 2.036 0 40 IEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NC(=O)NC1CCCC1 9633489 XZUPRPXNEWABOA-KRWDZBQOSA-N 425.432 2.031 0 40 IEAB COc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)NC1CC1 9868733 QLMPDRAGJZHQNH-UHFFFAOYSA-N 443.525 2.193 0 40 IEAB Cc1c(C)n2c3c(=O)n(CCCO)c(=O)n(C)c3nc2n1-c1ccc(C(F)(F)F)cc1 10271909 DNYQSYIAXFGZOC-UHFFFAOYSA-N 435.406 2.157 0 40 IEAB CNC(=O)NC(=O)[C@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 11163737 KOBPZALREXNYRZ-HXUWFJFHSA-N 426.425 2.161 0 40 IEAB CCOc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCc3ccccc3C2)cc1 13372059 FBHAIPTVWSRFJQ-SFTDATJTSA-N 435.567 2.083 0 40 IEAB CN1CCN(C(=O)CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 13880350 GGEBWMAABHEESQ-UHFFFAOYSA-N 434.584 2.474 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@@H]1c1cccc(OC)c1 14257294 RUULDYGACMPAMT-BUDOKORBSA-N 435.505 2.202 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 14398434 RDXOJWLKKCXPFP-UHFFFAOYSA-N 433.530 2.235 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3cc(OC)ccc3O)cn2)nc1 15232294 MYUHEDVZVSMZQZ-UHFFFAOYSA-N 430.486 2.243 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)O)CC2)cc1C 17099019 FZACPAHLSHTZRZ-OTGCGEFBSA-N 434.558 2.273 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2snnc2C)CCO1 19702968 ILYQMQKDYLMVGV-CYBMUJFWSA-N 447.542 2.046 0 40 IEAB COCCNS(=O)(=O)c1cc(C(=O)NCCSCc2ccsc2)ccc1OC 21963178 JNQRGLKQQGOBHD-UHFFFAOYSA-N 444.600 2.345 0 40 IEAB CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O 21992206 YNLDFNVDZZGPHE-JKSUJKDBSA-N 432.439 2.443 0 40 IEAB COc1ccc(C)cc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22229223 PTOSFWLLLWSCHS-UHFFFAOYSA-N 445.541 2.086 0 40 IEAB COc1ccc([C@H](CNC(=O)c2cnn(-c3ccccc3)n2)N2CCOCC2)cc1OC 22702704 PRXSRRRUNKMLRQ-FQEVSTJZSA-N 437.500 2.088 0 40 IEAB COc1ccc(-n2cnn(CN3CCN(CC(=O)N4CCCCCC4)CC3)c2=S)cc1 22924453 LVDRVYRBJPQWSS-UHFFFAOYSA-N 444.605 2.390 0 40 IEAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 23560771 YYNJYGPCPLDAQS-IRLDBZIGSA-N 425.504 2.364 0 40 IEAB O=C1c2ccccc2C(=O)N1C[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 24940578 SWYLKBQJFHANFU-QGZVFWFLSA-N 433.430 2.485 0 40 IEAB O=C(c1cc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCC4)c2)c[nH]1)N1CCCC1 26538171 AUUFFOBHMIJMQI-UHFFFAOYSA-N 426.502 2.256 0 40 IEAB C[C@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C(=O)O1 32736476 ZTYROKYINXOJNR-SMDDNHRTSA-N 435.420 2.353 0 40 IEAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(CC(=O)N3CCOCC3)c12 39556749 BOPNNEQMBVESDY-UYRXBGFRSA-N 440.569 2.482 0 40 IEAB CSc1nnc(CCCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1CC(C)C 39979707 CXXCKHGPAOSNFG-UHFFFAOYSA-N 437.591 2.452 0 40 IEAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1nnc(COC)s1 40283492 DUKYWCKDAWAHGB-HXUWFJFHSA-N 429.502 2.402 0 40 IEAB COc1cccc(CNC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)c1 46005230 LLEZHTCDJDECGF-UHFFFAOYSA-N 432.436 2.217 0 40 IEAB C[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1nc(-n2cccn2)ccc1=O 70874099 HEVIJWBVIYZSMH-HNNXBMFYSA-N 446.433 2.358 0 40 IEAB CCOC(=O)N1CCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccc(F)cc3)C2)CC1 72341407 BTGSHXDAAITBRV-ZWKOTPCHSA-N 447.536 2.161 0 40 IEAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCCN1C(=O)S/C(=C/c3ccccc3F)C1=O)CS2 96585630 KOXDZILEZLCMJS-NFPZXEGGSA-N 449.529 2.432 0 40 IEAB Cc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1S(=O)(=O)N1CCOCC1 223925982 BDINYXZQXCJNSQ-UHFFFAOYSA-N 432.542 2.442 0 40 IEAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NC2CCN(C(=O)C3CC3)CC2)Oc2ccccc21 247468047 DHNJZHYMIYWKGL-WVWCEFAQSA-N 437.540 2.459 0 40 IEAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccc(Cn2ccnc2C)c1 257200405 ADDUCESBPXBJSP-DEOSSOPVSA-N 445.567 2.355 0 40 IEAB CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(OC)cc1)S(C)(=O)=O 260897711 KMCJHFUUVZCPDT-ZWKOTPCHSA-N 434.514 2.196 0 40 IEAB O=C(C[C@H](c1ccsc1)n1cccc1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 524732445 DNANBBVJMNAFQL-LJQANCHMSA-N 436.603 2.404 0 40 IEAB O=C(COC(=O)c1[nH]nc2ccccc12)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 4015194 MFFBAVUXCAMGJT-UHFFFAOYSA-N 428.470 2.143 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC2CCCCC2)Cc2ccco2)cc1 6551186 IGOILIUMRJBHJQ-UHFFFAOYSA-N 447.557 2.344 0 40 IEAB CSCC[C@@H](NC(=O)COc1ccc(C(=O)COc2ccccc2)c(O)c1)C(=O)O 8917795 QVUZLWZQJHSUOY-QGZVFWFLSA-N 433.482 2.355 0 40 IEAB biogenic CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)Cc1cccc(OC)c1)n2CCC 9464681 UUPMFVIEDXBAIY-UHFFFAOYSA-N 428.489 2.391 0 40 IEAB Cc1[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1C(=O)OC(C)C 9479638 QSLXMXYWHVENHR-UHFFFAOYSA-N 433.530 2.343 0 40 IEAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 10286504 BFLXFNSSAMHMFP-AWEZNQCLSA-N 449.495 2.294 0 40 IEAB CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC1CCCCCC1 11430159 ANPWDMIUNJNBML-XAVZPLJISA-N 442.603 2.219 0 40 IEAB COc1ccccc1CNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC 12662124 MGJHQAFABMJJNB-OYHNWAKOSA-N 440.452 2.189 0 40 IEAB biogenic CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(CC)CC3)C2)cc1Cl 13119417 DHFSSPDIOALVPI-INIZCTEOSA-N 443.997 2.304 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C)n1 19760847 ASPQTIQYOPJOBC-SFHVURJKSA-N 449.552 2.494 0 40 IEAB CCCn1c(N2CCN(Cc3cccc4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C 20052263 VCRPQWVSDRJCRA-UHFFFAOYSA-N 432.528 2.309 0 40 IEAB CCOC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 20557910 ODKPJTUHZMCARU-NRFANRHFSA-N 439.491 2.214 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O 22804780 RBVTWNMWMRQBFN-JOCHJYFZSA-N 442.541 2.062 0 40 IEAB Cc1nc2c(C(=O)N3CCOCC3)nc(-c3ccccc3)cc2n1[C@H]1CCS(=O)(=O)C1 32616445 ZHYZHQPMEGMGNQ-KRWDZBQOSA-N 440.525 2.239 0 40 IEAB Cc1ccc([C@@H](CNc2nc(N3CCCC3)nc(N3CCCC3)n2)N2CCOCC2)o1 32906053 XYBWGKDMYGNOJX-GOSISDBHSA-N 427.553 2.459 0 40 IEAB CCOC(=O)[C@H](C)Oc1ccccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 33583635 YEJYPSIOQAHDET-RERGGYADSA-N 442.424 2.490 0 40 IEAB Cc1nonc1CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(NC(=O)C(C)C)ccc23)CC1 36359513 LKVPZALEXLJUJF-FQEVSTJZSA-N 440.504 2.397 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1C(=O)NC(C)C)O2 38854431 VZNQNXVQAZUOLU-IBGZPJMESA-N 431.514 2.299 0 40 IEAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)C(=O)NC(C)(C)C 48302673 XHMGBNWONWAWFK-MAUKXSAKSA-N 449.548 2.135 0 40 IEAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCN(c3ncccn3)CC2)cc1 57488196 IVTFQEATLKNOBU-UHFFFAOYSA-N 444.539 2.476 0 40 IEAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@@H](C)C(=O)NCCc3ccncc3)CC1)NC2=O 72327958 ORMUKBBZVXXBID-BXKMTCNYSA-N 435.528 2.002 0 40 IEAB COCCNC(=O)CN1C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc21 72342060 QJWWHPZWZKJOJU-QFIPXVFZSA-N 425.485 2.354 0 40 IEAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC[C@@H]2CSCCS2)c1 79060835 XBNUJBWDFBCSBL-MUBLQREKSA-N 433.573 2.017 0 40 IEAB COc1cccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4cccnc4)CC3)O2)c1 96036645 ULGWLYALDQKDHH-JOCHJYFZSA-N 447.539 2.493 0 40 IEAB COC(=O)[C@@H]1[C@@H]2C=C[C@@]3([C@@H]1C(=O)OC)[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@@]2(C)O5 96316400 QCYVGCPBTZGMEM-VYCIRWLBSA-N 439.508 2.109 0 40 IEAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CCC3(CCCCC3)C2)cc1C 97165160 KKHJQSLZPPANGJ-LJQANCHMSA-N 435.590 2.399 0 40 IEAB Cn1c(=O)c2ccc([C@H]3CC[C@H](CNC(=O)Cc4ccc(F)cc4)CC3)nc2n(C)c1=O 100707158 KREGRCDKDQXPDE-CALCHBBNSA-N 438.503 2.404 0 40 IEAB Cc1ccc(S(=O)(=O)c2c[nH]c3c(S(=O)(=O)c4ccc(C)cc4)cnn3c2=N)cc1 101411533 NOCXSPSWGRZURG-UHFFFAOYSA-N 442.522 2.424 0 40 IEAB COc1ccc(N2C(=O)C[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1OC 103081244 KONJUXFKZOQRAS-KRWDZBQOSA-N 426.469 2.411 0 40 IEAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OC(F)F 106711383 QGXBBDIHSOMBLZ-ZROIWOOFSA-N 428.413 2.192 0 40 IEAB Cc1c(Cl)cccc1N(CCCC(=O)NCCCN1CCOCC1)S(C)(=O)=O 222667898 BUHJNUIKWXUGHL-UHFFFAOYSA-N 431.986 2.033 0 40 IEAB Cc1cc(C)n(-c2ccc(CCC(=O)N3CCN([C@@H](C)C(=O)NC(C)C)CC3)cc2)n1 225605558 FOLRYZKZBPXURT-FQEVSTJZSA-N 425.577 2.479 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)c3c(C(C)C)noc3C)C2)nc2c1CCN(C(C)=O)C2 257220518 DLCIYCVWTBZBHB-HNNXBMFYSA-N 426.521 2.472 0 40 IEAB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)cc2Br)N(C)C1=S 409214208 ROEXPJDBHNQYRC-WZUFQYTHSA-N 429.292 2.039 0 40 IEAB COc1cc(CNC[C@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OCCCN(C)C 585273945 UCKBTZUJXKMIHG-HSZRJFAPSA-N 432.540 2.291 0 40 IEAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H](Cc3ccccc3)c3nc[nH]n3)CCOCC2)o1 1547139295 YGKWNPARFRAQLN-QGZVFWFLSA-N 438.484 2.310 0 40 IEAB biogenic CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(Cc1ccncc1)C2 1549166593 GIGWZVBKDWSGJT-JOCHJYFZSA-N 434.540 2.143 0 40 IEAB Cc1[nH]c(/C=C2/C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C](O)CN1CCOCC1 1560410169 AGDOQJUJOVOBNE-VCHYOVAHSA-N 441.483 2.230 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2627388 DSRMOJMZVOZMNY-INIZCTEOSA-N 447.582 2.441 0 40 IEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 3311439 GPGCEHQCOMUZII-XMMPIXPASA-N 447.495 2.199 0 40 IEAB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8880089 ZDIXOVRALFTLGK-UHFFFAOYSA-N 433.486 2.060 0 40 IEAB Cc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccco3)s2)CC1 9252325 ZXFUGATYYLSRLL-UHFFFAOYSA-N 433.515 2.203 0 40 IEAB COc1ccc(OC)c(N2CCn3c2nc2c3c(=O)n(Cc3ccc(C)cc3)c(=O)n2C)c1 10102811 AJJFGLWWXVQWRT-UHFFFAOYSA-N 447.495 2.422 0 40 IEAB O=C(COC(=O)c1cncc(Br)c1)NCC(=O)Nc1ccc(F)c(F)c1F 11028085 MUSUPHXAOBZLAN-UHFFFAOYSA-N 446.179 2.173 0 40 IEAB O=C(NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c(F)c1 11796201 ONJUWZCWSJZZTR-UHFFFAOYSA-N 441.475 2.376 0 40 IEAB O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031544 GLLRMIPJDUJMSP-LBPRGKRZSA-N 433.429 2.317 0 40 IEAB C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cnc2c1c(=O)n(C)c(=O)n2C 12520558 UBAXPIPRZITNFW-QMMMGPOBSA-N 429.786 2.306 0 40 IEAB CCOC(=O)c1cnc(S[C@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)nc1N 12553374 XVZNCSNMPJQINC-LLVKDONJSA-N 429.502 2.480 0 40 IEAB Cc1ccccc1N1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 12693272 VIBHPICQWPFJST-HXUWFJFHSA-N 443.569 2.415 0 40 IEAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1nnc2ccccn12 12983794 BTWMKTCOYRFORI-CQSZACIVSA-N 448.936 2.160 0 40 IEAB O=C(c1cccs1)N1CCN(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)CC1 13121512 QWQKAMBFUXONMY-UHFFFAOYSA-N 430.530 2.145 0 40 IEAB O=S(=O)(c1ccc(F)cc1F)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13848275 UNEGJIKGLZAOPX-UHFFFAOYSA-N 446.439 2.173 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nn(-c2ccccc2)cc1OC 18119555 VJTOMUGVGQGORF-UHFFFAOYSA-N 430.486 2.392 0 40 IEAB Cc1ccc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCOCC4)n3)C2)s1 19217059 WZCMOFGMTLYTMB-IRXDYDNUSA-N 443.573 2.064 0 40 IEAB O=C(CN1CCO[C@]2(CC=CCN(CCc3ccccc3)C2=O)C1)Nc1nccs1 19704352 DMNMBKIBJFTWAF-JOCHJYFZSA-N 426.542 2.184 0 40 IEAB Nc1ncnc2nc([C@@H]3CN(C(=O)C4CN(Cc5ccc(Cl)cc5)C4)CCO3)ccc12 19704797 TXCMXFARVJUINM-IBGZPJMESA-N 438.919 2.292 0 40 IEAB C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 20768931 AYMPLMJBHZEPJR-QGZVFWFLSA-N 429.542 2.355 0 40 IEAB 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IEAB COCCN(CC(=O)N1CCN(c2cccc(C)c2)CC1)Cc1nc2ccccc2c(=O)[nH]1 12536623 IAMYCWVCXQXROO-UHFFFAOYSA-N 449.555 2.029 0 40 IEAB Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 12549811 IPWVSZWRKGCFBL-UHFFFAOYSA-N 427.574 2.004 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC(=O)C(C)(C)C)c1 12549823 XQYBCNSXJNZHOJ-UHFFFAOYSA-N 440.562 2.326 0 40 IEAB COc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)cc1S(=O)(=O)N1CCOCC1 13110037 ZFGHQNMVSSQTPD-UHFFFAOYSA-N 442.497 2.154 0 40 IEAB COc1ccc(C(=O)NCCc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1 13955853 XWVGKTQUHDVVJR-UHFFFAOYSA-N 431.562 2.337 0 40 IEAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC(F)F)cc1S(N)(=O)=O 16950382 OHKAKVDESQWQNU-JTQLQIEISA-N 444.412 2.128 0 40 IEAB O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)[C@H]1CCS(=O)(=O)C1 19340476 NGVWJZOBGRQYAG-KRWDZBQOSA-N 428.489 2.302 0 40 IEAB CCOc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)ccc1OCC(N)=O 19532219 HOONNJBKEWILRF-VGSWGCGISA-N 433.455 2.337 0 40 IEAB Cc1ccc(=O)n(CC(=O)N2CCC(c3nc(C)c4c(n3)N(CC3CC3)CCC4)CC2)n1 19705694 WAVRHPMPWKXXJA-UHFFFAOYSA-N 436.560 2.219 0 40 IEAB Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)n1 19756594 DAXDQPOMMNMMMN-HNNXBMFYSA-N 445.545 2.252 0 40 IEAB CCN(CC)S(=O)(=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 21399351 FMANMJFEAXXUAJ-UHFFFAOYSA-N 447.483 2.460 0 40 IEAB Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1S(=O)(=O)N1CCOCC1 22518049 WYZNVHGMXLBQIK-UHFFFAOYSA-N 440.525 2.132 0 40 IEAB Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC2(c3ccccc3)CC2)c1 22976556 GONOCMSYKYGDRM-HXUWFJFHSA-N 428.554 2.376 0 40 IEAB C[C@@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 23270904 DOIOXXQQZZVRSB-YPMHNXCESA-N 444.966 2.163 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1 30915733 VKSWPGVENBVKBZ-UHFFFAOYSA-N 441.509 2.074 0 40 IEAB Cn1c(=O)c2c(ncn2CCCC(=O)N[C@H](c2cccs2)C2CCCC2)n(C)c1=O 32397163 FCNNJIXVCOWCMG-KRWDZBQOSA-N 429.546 2.323 0 40 IEAB Cc1ccc(S(=O)(=O)C2(C(=O)N3CCC(C(=O)c4ccnn4C)CC3)CC2)cc1C 72337590 OWKQPLMYZBPCCJ-UHFFFAOYSA-N 429.542 2.465 0 40 IEAB COC[C@H](C)NC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 72342928 KOVQZPCOVFSXSA-IRXDYDNUSA-N 426.521 2.332 0 40 IEAB COCCN1CC=CC[C@H](C2CCN(C(=O)c3cnc(N4CCCCC4)nc3)CC2)C1=O 72371069 XYRNKDMNQWGHRX-OAQYLSRUSA-N 441.576 2.370 0 40 IEAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)CN3C(=O)CNC3=O)cc2n1 72389778 DXGZERQKGSKSCE-ZDUSSCGKSA-N 438.410 2.087 0 40 IEAB CC(=O)N1CCN(Cc2cccc(NC(=O)[C@@H]3CSCN3C(=O)CC(C)(C)C)n2)CC1 89954520 QVNGCVOIRZSYMW-SFHVURJKSA-N 447.605 2.022 0 40 IEAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223137735 FLOSKVRQKIHUKZ-VXKWHMMOSA-N 443.617 2.451 0 40 IEAB COc1ccc(CNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)c(OC)c1OC 224149141 NMOWAVNMGGIFAO-UHFFFAOYSA-N 436.530 2.099 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCCc1ccccc1 224245027 WRYBIZMGECRHNX-UHFFFAOYSA-N 446.569 2.398 0 40 IEAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)CN1CCOCC1 257265957 MBABUSIXSAMVIJ-LYVDORBWSA-N 425.573 2.320 0 40 IEAB O=S(=O)(N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)c(C(F)(F)F)c1 390832024 WRHZXNMXOGHOTR-SNVBAGLBSA-N 446.842 2.354 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 408621351 LCKRMGZTMYGZRD-QGZVFWFLSA-N 447.557 2.110 0 40 IEAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)OCn1nnc2ccccc2c1=O 3279477 SFRZWHIXODFWKY-KRWDZBQOSA-N 446.916 2.497 0 40 IEAB CC1(C)CC(NC(=O)C2CCN(C(=O)CNC(=O)c3ccccc3)CC2)CC(C)(C)N1 9305839 NURMEYQSTDQBLO-UHFFFAOYSA-N 428.577 2.080 0 40 IEAB CCOc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(C(=O)OC)Nc3nnnn32)ccc1O 10232078 RQHJEGOJSJOOQS-SFHVURJKSA-N 439.403 2.241 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CNC(=O)NCc3ccc(C)cc3)CC2)c(F)c1 10257429 BUISCKZWIXOSBN-UHFFFAOYSA-N 426.492 2.485 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@H](c2cccs2)N(C)C)cc1 12857583 QTDJWGGZCLAGOV-QGZVFWFLSA-N 425.576 2.234 0 40 IEAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NC1CCCCC1 13137021 BFIGDZJIKPNDTR-UHFFFAOYSA-N 446.573 2.090 0 40 IEAB COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccnc1 13508216 INPGWKYHMDDXMR-NRFANRHFSA-N 442.516 2.070 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCN(c3nc4c(Cl)cccc4s3)CC2)CC1 13705022 CWDFSLLQTAXQHB-UHFFFAOYSA-N 442.994 2.270 0 40 IEAB COc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3ccccc3c2=O)cc1OC 15275190 YHXOBYYLWNRIDG-UHFFFAOYSA-N 441.509 2.354 0 40 IEAB O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 17178444 CASWJGHCFNKICO-JOCHJYFZSA-N 439.512 2.366 0 40 IEAB COCCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20051693 QZFGJYPYICZZRW-UHFFFAOYSA-N 430.534 2.381 0 40 IEAB COc1ccc(CN(C)C(=O)CN(c2cccc(C(C)=O)c2)S(C)(=O)=O)cc1OC 20108365 WMNHZTXHZBNNBJ-UHFFFAOYSA-N 434.514 2.331 0 40 IEAB CCc1ccc(NC(=O)Cn2cnc3nc(N4CCN(CC)CC4)sc3c2=O)cc1 21886446 CRHBGTROCPWBMC-UHFFFAOYSA-N 426.546 2.196 0 40 IEAB Cc1cccc(C)c1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O 22338817 RVXQCAIZQHTONQ-INIZCTEOSA-N 438.571 2.350 0 40 IEAB NC(=O)[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)C1 24143534 SQFGSHKEUMCBHV-RDJZCZTQSA-N 447.536 2.079 0 40 IEAB CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 24755061 RPBRKKNOYTUQJD-UHFFFAOYSA-N 443.978 2.101 0 40 IEAB CS(=O)(=O)N1CCCN(C(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CC1 24782251 IZTXDYCFYXCCAF-OAQYLSRUSA-N 426.542 2.488 0 40 IEAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(Br)c1 24985617 VXHXODQIUSLQKD-DZGCQCFKSA-N 443.319 2.150 0 40 IEAB C[C@@H]1Cc2cc(C(=O)N3CCN(C)c4nc5ccccc5nc43)ccc2N1S(C)(=O)=O 25091434 DCRRKTUBYJVTPJ-CQSZACIVSA-N 437.525 2.437 0 40 IEAB CCn1c(=O)c(C)nc2cc(C(=O)N(CCOC)Cc3nc4ccccc4c(=O)[nH]3)ccc21 25587850 BOZPMUNLSNJLIY-UHFFFAOYSA-N 447.495 2.250 0 40 IEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(C(=O)N(C)C)cc1)C2=O 32905500 BSDNXENPEMZKEJ-WNSKOXEYSA-N 428.533 2.141 0 40 IEAB CC1=C[C@@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 35442726 CRKANTHHUDYECC-ACRUOGEOSA-N 442.608 2.477 0 40 IEAB biogenic,in-vitro COc1cccc(N2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1 36385117 LMQLIFJSGXZLMS-UHFFFAOYSA-N 435.528 2.254 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1NCCCc1ccccc1 36589722 OIRMZXYQVMFERF-WIYYLYMNSA-N 437.583 2.165 0 40 IEAB O=C(C[C@H]1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccccc1F 39964047 FUEDFIVRNHUBGL-FQEVSTJZSA-N 437.475 2.424 0 40 IEAB O=C(Cn1cnc2ccc(F)cc2c1=O)N1CCN(CCSc2ccccc2)CC1 40139422 ZHFNIVHEFSIBCY-UHFFFAOYSA-N 426.517 2.472 0 40 IEAB Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)N3CCCC[C@H]3c3nc4ccccc4s3)nc21 48310380 NATHENJTTNAWBA-ZDUSSCGKSA-N 438.513 2.246 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cncc(-n4nc(C)cc4C)n3)CC2)c1 48353698 RGQWEDOGTWDHCD-UHFFFAOYSA-N 426.546 2.407 0 40 IEAB Cn1nc(Br)c2c(=O)n(CC(=O)N[C@@H](c3ccccc3)c3ccco3)cnc21 58328281 SBDCOFIAVVVAAP-INIZCTEOSA-N 442.273 2.391 0 40 IEAB CC(C)[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)c1nc(-c2ccncc2)no1 58403490 JYLWBXYPZPFQBO-RHSMWYFYSA-N 433.472 2.283 0 40 IEAB COc1cccc(S(=O)(=O)Nc2ccc(-n3nnc(C(=O)NC4CCCC4)n3)cc2)c1 71003533 KTKCFRUWZUZLOZ-UHFFFAOYSA-N 442.501 2.144 0 40 IEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCc1ccnc(OC2CCCC2)c1 71843121 HUUPDRIZZJVLJH-UHFFFAOYSA-N 428.514 2.148 0 40 IEAB COc1ccc(C2(CNC(=O)CCCn3nnc4ccccc4c3=O)CCOCC2)cc1 72403902 BGOAEQOEVIGNSP-UHFFFAOYSA-N 436.512 2.445 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)cc1 95460453 NUCKLNWDZKZVQN-UHFFFAOYSA-N 428.470 2.257 0 40 IEAB O=C(CN1CCN(Cc2cccs2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 96311014 BMNJXQTVVABOTB-UHFFFAOYSA-N 448.614 2.289 0 40 IEAB Nc1ncnc2c1c1cc(-c3cc4ccccc4o3)ccc1n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 96915934 NSCGDPAUSCDJAZ-ZDXOVATRSA-N 432.436 2.191 0 40 IEAB Cn1ccnc1Sc1ccc(NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)cc1 97117558 VFXBIEJFFSPSES-UHFFFAOYSA-N 438.513 2.380 0 40 IEAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(c3ncccn3)CC2)Oc2ccccc21 247955012 UYHFJLMGIQWKSW-CVINXBIPSA-N 433.512 2.080 0 40 IEAB CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc2cc(F)ccc2C)[C@H]1c1ccccc1 257333642 YCKVMMXLVBCXIE-FUDKSRODSA-N 440.519 2.481 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1C 408602704 ITZKNQPWCUVORP-UHFFFAOYSA-N 434.470 2.119 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)cc1 408703107 NFEULWPPTJRBNE-UHFFFAOYSA-N 448.497 2.429 0 40 IEAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(N)=O)C2=O)cc1 409176038 XJSSDQOOQFBACB-LICLKQGHSA-N 441.465 2.234 0 40 IEAB COc1ccc(C(=O)N[C@@H]2CCc3c(F)cccc32)cc1S(=O)(=O)N1CCOCC1 509106342 DBPZFISRESSWGY-GOSISDBHSA-N 434.489 2.273 0 40 IEAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 679966837 SFPFLBUFQBCYFJ-CYBMUJFWSA-N 431.440 2.437 0 40 IEAB Cc1cc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(F)cc4F)CC3)ccc2[nH]c1=O 1666954932 NMTCQAUCMVPHJE-UHFFFAOYSA-N 447.463 2.261 0 40 IEAB COc1ncc(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4ccc(C)cc4)C3)C2)cc1C 2056226234 NMQMUVKGHUSHSK-XUZZJYLKSA-N 425.529 2.383 0 40 IEAB COC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1cc(OC)ccc1OC 932131 UTSXJTOHGLHSPL-UHFFFAOYSA-N 429.458 2.197 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(Cc3ccccc3)n1C)C2=O 9253297 QDSPSPHMDPZQHP-UHFFFAOYSA-N 442.545 2.030 0 40 IEAB O=S(=O)(c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1)N1CCCCC1 9711818 WLKNMBGDDPSSOX-UHFFFAOYSA-N 444.557 2.307 0 40 IEAB O=C(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 9958661 XLIPXTUUBVKHHX-UHFFFAOYSA-N 440.880 2.397 0 40 IEAB COc1ccc(C(=O)O[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1S(N)(=O)=O 11105638 CQJFHDFGRSNEFI-SECBINFHSA-N 437.499 2.175 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@H](C)n4ncc5ccccc5c4=O)C3)cc2n1 12134456 OUNKILZNRRARJL-DOTOQJQBSA-N 432.484 2.420 0 40 IEAB COc1ccc2c(c1)NC1(CCN(C(=O)CCc3cccc(C)n3)CC1)NS2(=O)=O 12142605 QIGXPEHKWBALRU-UHFFFAOYSA-N 430.530 2.054 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3CN3CCOCC3)ccc21 15334890 DTMPKVWJJLPQCF-UHFFFAOYSA-N 443.569 2.296 0 40 IEAB Cc1nc(-c2cccc(NC(=O)COC(=O)Cn3nnc4ccccc4c3=O)c2)cs1 16275344 FMFUHOZIFHOVCC-UHFFFAOYSA-N 435.465 2.405 0 40 IEAB O=C(Cn1cccnc1=O)N1C[C@H](c2ccc(CN3CCOCC3)cc2)[C@H]2CCCC[C@H]21 19403628 YJTBWCWGVKDFEY-DNVJHFABSA-N 436.556 2.260 0 40 IEAB COc1cccc([C@@H]2CN(C(=O)CN3CCCCCC3=O)C[C@]23CCCCC(=O)N3)c1 19566094 CUWTTWVGISQPSW-GBXCKJPGSA-N 427.545 2.453 0 40 IEAB CNc1nc([C@@H]2CCCCN2C(=O)Cc2c(C)noc2C)nc2c1CN(C(C)=O)CC2 19710409 AAWDWUGAAMCTIP-IBGZPJMESA-N 426.521 2.324 0 40 IEAB CCCn1cc(S(=O)(=O)N2CCC[C@@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)c(C)n1 19741570 KWKHSFMEWGHHMH-MRXNPFEDSA-N 446.577 2.177 0 40 IEAB Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)N3CCN(C)CC3)n2C)C(C)C)c1 19840692 VDZJMTHYKPCILO-IBGZPJMESA-N 444.605 2.117 0 40 IEAB O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCN(C(=O)c2cccs2)CC1 23674740 RZSNLOQEZZRTPI-UHFFFAOYSA-N 432.546 2.067 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)NCc1ccc(CN2CCCCC2)cc1 24186598 VSYXKOXGRPLOFW-UHFFFAOYSA-N 434.562 2.262 0 40 IEAB CCN(C(=O)COC(=O)/C=C/c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 25512593 GHJATYXDOXYBJR-GPAKFWEMSA-N 435.420 2.177 0 40 IEAB COC(=O)c1ccccc1NC(=O)CSc1nn2c(=O)c(C(C)(C)C)nnc2s1 27546053 ULPWCZHZRUSFSE-UHFFFAOYSA-N 433.515 2.361 0 40 IEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCNC(=O)c1ccc(OC)c(OC)c1 41097380 ZAHYRDQLDNDYSK-GOSISDBHSA-N 428.485 2.114 0 40 IEAB COc1cc(C)c(C)cc1S(=O)(=O)NCC1CCN(C(=O)c2snnc2C)CC1 43958258 XUWCNFFYZXVZJL-UHFFFAOYSA-N 438.575 2.303 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2)cc1)c1ccc(F)cc1 44872297 ZUIOAUQNWHIRKD-UHFFFAOYSA-N 448.564 2.351 0 40 IEAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)Cc2ccccc2)c1 57313614 WDRXEYKDKGSTJG-UHFFFAOYSA-N 426.542 2.281 0 40 IEAB O=S(=O)(c1ccc(NCC2CCN(Cc3ccccc3)CC2)nc1)N1CCOCC1 60082171 IOQCMYHAUIVIQY-UHFFFAOYSA-N 430.574 2.427 0 40 IEAB C[C@H]1CCCN(C(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)C1 71772661 IXOGKIYOAMPHTD-IRXDYDNUSA-N 446.573 2.218 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N[C@H](C)CCc1cccn1C 78947242 NUOLPONAYJSOGD-KDOFPFPSSA-N 449.602 2.470 0 40 IEAB Cn1cnnc1-c1ccnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 95447601 CJTQDNDZSXXHHH-UHFFFAOYSA-N 426.502 2.304 0 40 IEAB O=C1CCCC(=O)C1[C@@H]1c2ccccc2CCN1C(=O)CSC(=S)N1CCOCC1 100709719 SAZIVPFYDNXHFE-NRFANRHFSA-N 446.594 2.401 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 100772292 SZPHHKGIDOFWOT-ALYAQQCSSA-N 441.569 2.438 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 102084953 IRYHDWVLKQAVEH-SCMJLYPYSA-N 444.281 2.228 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2ccn3nc(-c4ccco4)cc23)cc1 206750667 WVIDCOXERRMPLF-UHFFFAOYSA-N 427.486 2.076 0 40 IEAB Cc1cccc(N2CCN(C(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)CC2)c1C 216301246 GAQHJKKJHWXPBV-UHFFFAOYSA-N 448.564 2.404 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)cc1 225426573 DEVFPEXTLCLEPW-UHFFFAOYSA-N 430.486 2.268 0 40 IEAB C[C@H]1CCCCN1c1cc(N2CCCC2)nc(NC(=S)NCCN2CCOCC2)n1 225903154 LRISEJJDPGZQPW-KRWDZBQOSA-N 433.626 2.074 0 40 IEAB Cc1cc(C(F)F)n2nc(C(=O)N(C)C[C@]3(O)CCCN(c4ccc(F)cn4)C3)nc2n1 257253499 JZECHNWILIAVRM-HXUWFJFHSA-N 449.437 2.008 0 40 IEAB Cn1c(=O)c2ccc([C@@H]3CCCCN3C(=O)c3cc[nH]n3)nc2n(Cc2ccccc2)c1=O 257279591 OHIASLNVRXJXNR-FQEVSTJZSA-N 444.495 2.234 0 40 IEAB CCn1cc(S(=O)(=O)N2CCO[C@H](c3cncc(-c4cccc(OC)c4)n3)C2)c(C)n1 257286500 PLVDYNWRMSINMB-FQEVSTJZSA-N 443.529 2.439 0 40 IEAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1cccnc1=O 257314555 UXLUJYQZJSPPEO-CZLVRFMKSA-N 434.540 2.245 0 40 IEAB Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)on1 257323272 WJLNYKWDPRZLJH-HFMPRLQTSA-N 427.545 2.411 0 40 IEAB COc1ccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 408625915 UOLVPBYDNJXCLS-CYBMUJFWSA-N 426.922 2.383 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)c1 408646939 RMIBEUIGTXKXKY-AWEZNQCLSA-N 428.441 2.247 0 40 IEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 408650103 ANHPBTYKBBMFFG-OAHLLOKOSA-N 426.425 2.017 0 40 IEAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147612 GSWWYDZSUNCFPF-UXBLZVDNSA-N 427.482 2.279 0 40 IEAB O=C1CC[C@@H](c2cccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)c2)N1 1536381700 ODRLDPYFYZNKLZ-FQEVSTJZSA-N 427.526 2.120 0 40 IEAB O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC[C@H](c2nc(O)n[nH]2)C1 1686252973 WTPCSOMJRBNTNF-QPUJVOFHSA-N 426.246 2.435 0 40 IEAB Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]2CN(c3ccc4nnc(C)n4n3)C[C@@H]2C1 1888916408 LNTRZHUEEMTTAD-HUUCEWRRSA-N 432.937 2.151 0 40 IEAB CC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cccc3ccccc23)c(=O)n1C 8706326 YAPLNJDKKBSREH-MRXNPFEDSA-N 444.495 2.444 0 40 IEAB COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)NC1CCCC1 9478184 HCJMOLODTIWWMD-QGZVFWFLSA-N 446.525 2.486 0 40 IEAB COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(-c4ccccc4)cn23)n(C)c1=O 9713360 SRSPORKNFWIXBT-UHFFFAOYSA-N 447.426 2.118 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O 9792402 LDSFODRYQYNYJQ-DEOSSOPVSA-N 435.480 2.200 0 40 IEAB Cc1nc(SCC(=O)Nc2ccc(F)c(F)c2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525752 RRXBQRBTHSCSIM-UHFFFAOYSA-N 449.483 2.464 0 40 IEAB CC[C@H]1CCCCN1C(=S)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 13140311 BSKCUAAMJGNGAS-HNNXBMFYSA-N 443.566 2.126 0 40 IEAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1)NCc1ccc2c(c1)OCO2 13479798 MYFIXNIOKBGNQG-UHFFFAOYSA-N 432.498 2.331 0 40 IEAB COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 13508119 GPCLDXRVMOZRRJ-OAQYLSRUSA-N 442.516 2.070 0 40 IEAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 13647955 YIZKNUBEYUKTDV-UHFFFAOYSA-N 434.470 2.305 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](NC(=O)c3ccco3)C(C)C)CC2)c1 14228072 NTVKDWUGWDHTPY-HXUWFJFHSA-N 447.557 2.184 0 40 IEAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1C 14244144 ZEDBEYJQANJZAE-CQSZACIVSA-N 447.561 2.294 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 15438585 KOMHCZGAIBJYNQ-UHFFFAOYSA-N 439.559 2.220 0 40 IEAB Cc1ccn(CCC(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCCC3)C4)C2)n1 19238042 KHFRDCFXHZGICY-GOSISDBHSA-N 438.576 2.372 0 40 IEAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 19697525 DLDQBOWJMFGPBX-HNNXBMFYSA-N 434.543 2.099 0 40 IEAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CN(S(=O)(=O)c2cnn(C)c2)CCO1 19697526 DLDQBOWJMFGPBX-OAHLLOKOSA-N 434.543 2.099 0 40 IEAB Cc1nc([C@@H]2CCCCN2C(=O)Cn2cccnc2=O)nc2c1CCC(=O)N2CC(C)C 19740796 QRXGANXWSFMINW-SFHVURJKSA-N 438.532 2.031 0 40 IEAB CCN(CC)S(=O)(=O)N1CCC(Cc2ncncc2C(=O)Nc2nccs2)CC1 19757250 NDVVVALWYOCIQO-UHFFFAOYSA-N 438.579 2.027 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1 22610114 TZZPNRROCMNVGS-MRXNPFEDSA-N 438.488 2.029 0 40 IEAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(C)ccc2OC)N2CCN(C)CC2)cc1 22795500 HJCGUMPYUCVXHS-OAQYLSRUSA-N 440.544 2.056 0 40 IEAB O=C(NCc1ccc(F)cc1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23135236 BMICEKRPULKMTN-UHFFFAOYSA-N 431.422 2.107 0 40 IEAB O=C(Cn1c(CN2CCOCC2)nc2ccccc2c1=O)NCc1ccc(Cl)cc1 25424205 FMBXJRMGPWMLSA-UHFFFAOYSA-N 426.904 2.199 0 40 IEAB COc1ccc([C@H](CNC(=O)c2cccc(N3C(=O)CCC3=O)c2)N2CCOCC2)cc1 25606296 PZNLOBQDJUYLKX-NRFANRHFSA-N 437.496 2.152 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1occc1-c1ccccc1 32718048 GAYOMSYEPCUNEF-UHFFFAOYSA-N 440.525 2.223 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cc1 32739421 BMRFRNDODKYLMU-LJQANCHMSA-N 435.546 2.381 0 40 IEAB CC[C@@H](C)NC(=O)Cn1c(=O)/c(=C/c2ccc(F)cc2)s/c1=C/C(=O)c1ccco1 33575851 FGKGHLYFYNPASA-UVCQIXMSSA-N 428.485 2.049 0 40 IEAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 34872602 ZBRWXWZARNSUKQ-CABCVRRESA-N 446.525 2.268 0 40 IEAB CCOc1ccc(NC(=O)COc2ccc([C@H]3CC(=O)N=C4NC=NN43)cc2OC)cc1 38182717 DXECOSLLJRJJBD-QGZVFWFLSA-N 437.456 2.287 0 40 IEAB COc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)cc1 38756088 XHZFPLBKQADJDU-UHFFFAOYSA-N 428.514 2.272 0 40 IEAB CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)N1C(=O)c2ccccc2C1=O 44928625 NYCLTNOUBVLXHM-FQEVSTJZSA-N 434.496 2.088 0 40 IEAB O=C(Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)NC[C@H]1CCCO1 57472856 QOXTUVBVRGUUKN-QGZVFWFLSA-N 427.888 2.160 0 40 IEAB COc1cc(C(=O)N(CCN(C)C)Cc2ccc(Cl)cc2)cc(OC)c1OCC(N)=O 58009988 STXQJYIQFISCOY-UHFFFAOYSA-N 449.935 2.425 0 40 IEAB CS(=O)(=O)N1CCN(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 65549108 QUTRVPMCKQTIBP-UHFFFAOYSA-N 433.486 2.103 0 40 IEAB Cc1nonc1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)CC1 72398731 HCRZOWZKTUZXTF-UHFFFAOYSA-N 440.548 2.420 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)N1CCc2nc(NC(=O)C3CC3)sc2C1 77191989 ROCUHJPOAYJMOV-UHFFFAOYSA-N 427.529 2.087 0 40 IEAB CCN(CC)C(=O)CCCC(=O)NCCCCN(C)C(=O)CCCC(=O)N(CC)CC 95431777 HSXIRYJGNPGYNB-UHFFFAOYSA-N 440.629 2.419 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)CC2)cc1 95480354 HORQXMOKTWANJQ-PGRDOPGGSA-N 436.574 2.250 0 40 IEAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CN2CCOCC2)[C@H](c2cccs2)C1 95945945 TUGVBBLLQHCBAB-SFHVURJKSA-N 448.570 2.130 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCn3ccc4ccccc43)C2=O)cc1 96231132 ODVOXKDFWUSOKN-FQEVSTJZSA-N 434.496 2.319 0 40 IEAB O=C(CNC(=O)c1ccccc1F)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 96855743 FCVYHCYLQKODAN-SFQUDFHCSA-N 427.457 2.408 0 40 IEAB CCOC(=O)c1ccc(N2C(=O)C[C@H](NC3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 100196310 LOYWPMPAXDARQZ-NRFANRHFSA-N 449.507 2.390 0 40 IEAB COC(=O)c1ccc([C@H]2[C@H]3C(=O)NC(=O)[C@@H]3ON2c2ccc(Br)cc2)cc1 101797690 SZILRFRNINFUAK-OWCLPIDISA-N 431.242 2.370 0 40 IEAB CC1=C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C[C@H]1n1[nH]c(=O)n(Cc2ccccc2)c1=O 105507472 XYTLCKXGZKYPTP-XUVXKRRUSA-N 430.464 2.083 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 225407945 ULMDZIFRCZGPLQ-UHFFFAOYSA-N 437.543 2.022 0 40 IEAB Cn1ccc(C(=O)N2CCC[C@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)n1 257262765 LMUYQTLFFRULHS-QHCPKHFHSA-N 444.507 2.110 0 40 IEAB COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 408596395 UTFGTMJLJVCNNA-CQSZACIVSA-N 426.922 2.348 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)Cc2ccccc2)cc1 408622400 PZKOHXHGUMIVNQ-UHFFFAOYSA-N 442.541 2.289 0 40 IEAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCN(C)CC1 408635818 FTLIRPKQLRRKHZ-UHFFFAOYSA-N 443.569 2.289 0 40 IEAB COc1cc([C@H](CC(=O)NCCCc2nc(C)no2)c2oc(C)cc(=O)c2O)ccc1O 524731149 LKMWDTOCYFDDNY-HNNXBMFYSA-N 443.456 2.330 0 40 IEAB biogenic CSCC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)n1c(O)nc2ccccc2c1=O 524734389 ANHVNSLKAUFNHC-PBHICJAKSA-N 441.509 2.353 0 40 IEAB COc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)cc1 585272097 IYDUAOBLZFXYCX-NRFANRHFSA-N 430.545 2.278 0 40 IEAB Cn1cc(CNC(=O)[C@@H]2CN(CC3CCOCC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)cn1 1772595560 FWUVSIZVEVYCIU-URVUXULASA-N 428.508 2.284 0 40 IEAB CC(C)[C@H](N)COc1cc(Cl)ccc1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C 2037879858 UMXSDSMVTPGFRI-MJEQTWJJSA-N 427.929 2.046 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@H]4C3)ncn2)n1 2086896735 YMSTYXHFMZYERI-CALCHBBNSA-N 442.520 2.175 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 1363310 FEPCMQCJVZCBJF-MRXNPFEDSA-N 432.498 2.141 0 40 IEAB CC[C@H](C)N(C(=O)COC(=O)COc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 6551766 ZDOPPSSOIJLPOH-ZWKOTPCHSA-N 425.547 2.348 0 40 IEAB Cc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(C)c(Cl)c2)c(=O)c3=O)cc1 8849867 JCIBZEPPABOSMK-UHFFFAOYSA-N 425.876 2.466 0 40 IEAB CCOC(=O)N1CCN(C(=O)COC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)CC1 9283427 LNEJQIYACHHQKS-FNORWQNLSA-N 442.415 2.154 0 40 IEAB O=C1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cccnc2)c2ccccc2N1 9343712 RXZJKXVNMIUTTN-FQEVSTJZSA-N 429.480 2.477 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)cc1 9675351 KKZLDFGOINJPSF-IAGOWNOFSA-N 431.811 2.420 0 40 IEAB O=C(NCCc1ccccc1)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 9743436 VEDIKYJYTWZFSP-FQEVSTJZSA-N 443.569 2.095 0 40 IEAB NS(=O)(=O)Cc1ccc(CNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1 10163915 RDXCCCFGEQAHBE-UHFFFAOYSA-N 441.538 2.265 0 40 IEAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 12926970 JIGUNKWOURDQFX-INIZCTEOSA-N 439.497 2.116 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cc2)CC1 13986265 ASZRRDVTVGPIDY-UHFFFAOYSA-N 448.545 2.007 0 40 IEAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc2c1 19220915 DZASHOHHWGHWGA-NRFANRHFSA-N 434.475 2.432 0 40 IEAB CCNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2n[nH]c(=O)[nH]2)C1 19528955 ZOYBVENWWWJTFX-NRFANRHFSA-N 425.514 2.038 0 40 IEAB CCN(CC)S(=O)(=O)N1CCC(c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)CC1 19739409 JXWNTTULELXBHX-UHFFFAOYSA-N 435.594 2.240 0 40 IEAB COc1ccc(NC(=O)C[C@@H]2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 19817460 MQOLPCZQINYPQO-OAQYLSRUSA-N 449.511 2.294 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(Cc3ccc(OC)c(OC)c3)CC2)nc1 23296208 HZWWRPHKZJIXEJ-UHFFFAOYSA-N 448.589 2.452 0 40 IEAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@@](C)(c3ccccc3)C1=O)O[C@H](C)C2 23819933 QJSZTEYUZMWEIV-MYYSRTQBSA-N 437.496 2.492 0 40 IEAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C[C@H](C)O1 30666472 SKMQZPNMBLPVRS-STQMWFEESA-N 436.361 2.105 0 40 IEAB COc1ccccc1[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1nccn1C 32842418 XIDGYZXIPCJVBX-HXUWFJFHSA-N 440.525 2.270 0 40 IEAB N[C@H](CC(=O)O)c1cc(I)c(O)c(I)c1 33902352 ZWUCUYUBBSFKJG-SSDOTTSWSA-N 432.983 2.076 0 40 IEAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)Cn3c(=O)oc4ccccc43)cc2C1 38678280 BOPVTNINJPWZQR-UHFFFAOYSA-N 429.498 2.331 0 40 IEAB Cn1ccnc1[C@@](O)(CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(F)(F)F 71794551 NQYXHGNIZICQHO-IBGZPJMESA-N 430.471 2.201 0 40 IEAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCNC(=O)c1ccc(Br)cc1 72273949 GANGVODSURYOER-KRWDZBQOSA-N 426.355 2.138 0 40 IEAB Cn1c(=O)n(CC(=O)N2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c2ccccc21 72293374 FIBPSQBJQDHHLU-FQEVSTJZSA-N 434.496 2.295 0 40 IEAB CN1CCN(C(=O)COCCN2CCCC2=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351394 LMDAXVGUQCLHEZ-QHCPKHFHSA-N 449.551 2.204 0 40 IEAB CCCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351904 KUFCCZSQEOTFGJ-YADHBBJMSA-N 434.540 2.219 0 40 IEAB C[C@]12CCC(=O)N1[C@H](C(=O)NCCN1C(=O)S/C(=C/c3ccccc3F)C1=O)CS2 96585631 KOXDZILEZLCMJS-AGXRXXLASA-N 449.529 2.432 0 40 IEAB C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100538042 DVSSZZYKNXCIRL-KMNSEVKQSA-N 432.270 2.371 0 40 IEAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCc1ccc(Cl)cc1Cl 102399828 NBIFUDPTAIIPHK-KBPBESRZSA-N 427.284 2.328 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 215725702 CUBYILKWDYWQQO-JOCHJYFZSA-N 435.480 2.269 0 40 IEAB CC[C@@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222510703 GSHQHUINVCFITG-INIZCTEOSA-N 434.917 2.435 0 40 IEAB COC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1C 224877589 LNAQKULQYSAIJJ-UHFFFAOYSA-N 436.486 2.058 0 40 IEAB C[C@H](NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)[C@H]1C[C@H]2CC[C@H]1C2 248376796 DQNNAAADSOMJLZ-OGIRHKEHSA-N 425.529 2.459 0 40 IEAB Cc1ccccc1-c1cccc(C[C@H]2C(=O)N(C)CCN2S(=O)(=O)c2cn(C)cn2)c1 257228648 FURYCRKLRKFBLG-NRFANRHFSA-N 438.553 2.470 0 40 IEAB COc1cc([C@@H](CC(=O)NCCn2nccc2C)c2oc(C)cc(=O)c2O)ccc1O 524731132 LCXLKIFNYAHXBI-MRXNPFEDSA-N 427.457 2.211 0 40 IEAB biogenic C[C@@]1(c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c2)NC(=O)NC1=O 642597340 XPMDCTHRLKAQHU-CMJOXMDJSA-N 438.459 2.371 0 40 IEAB Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2cccc(Br)c2)n(C)c1=O 832609 IITNARVPZDBSMX-UHFFFAOYSA-N 432.322 2.235 0 40 IEAB COC(=O)c1ccccc1NC(=O)CSc1nnc(Cn2nnc3ccccc32)n1C 919763 OCHQCKQYTQMYQK-UHFFFAOYSA-N 437.485 2.126 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)CCCc2nc3ccccc3s2)cc1 3260156 KLILNVDZKGJSSK-UHFFFAOYSA-N 433.511 2.448 0 40 IEAB O=C(NCc1ccc(Cl)cc1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 3311556 FWOUZRNEKCOGOQ-WBVHZDCISA-N 429.325 2.434 0 40 IEAB CNC(=S)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C[C@H]1C 8670498 SQGQWUALLOIMST-LLVKDONJSA-N 448.520 2.197 0 40 IEAB COc1ccccc1CNC(=O)c1nnsc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 8694643 NTKVZCQZTUMWMC-ZBFHGGJFSA-N 437.525 2.262 0 40 IEAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1=CN2CCS(=O)(=O)N=C2C=C1 8734471 RUOUKGKUVFKQRV-UHFFFAOYSA-N 444.494 2.017 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 9043127 NADIQAMWQNCJAE-JLHGSKIFSA-N 443.544 2.354 0 40 IEAB NC(=O)c1ccsc1NC(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 9120457 IWGWWDAZLVWIDG-UHFFFAOYSA-N 433.461 2.020 0 40 IEAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3cccc(F)c3)c2=O)cc1 9660585 IDSVBSPUGWPAOE-UHFFFAOYSA-N 434.427 2.393 0 40 IEAB Cc1ccc([C@H](C)C(=O)N2CCC(c3c(S(C)(=O)=O)cnc4ncnn34)CC2)cc1 12158852 NZNJOLYQGLFZRE-HNNXBMFYSA-N 427.530 2.346 0 40 IEAB CN(C)[C@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCO2 12196743 COLCRFXROCGPHO-GOSISDBHSA-N 431.514 2.123 0 40 IEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)C1 12601524 URJIVZLUCXPNHX-HDICACEKSA-N 443.573 2.106 0 40 IEAB CN(C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12608846 AFEBXMTVXFYRMX-UHFFFAOYSA-N 442.585 2.186 0 40 IEAB COCCCN(C(=O)c1ccc(F)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12799675 RKGRUYQVPPEVIW-UHFFFAOYSA-N 426.876 2.251 0 40 IEAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccccc1 13682573 YMVOAMDPEYMSPR-HNNXBMFYSA-N 435.933 2.496 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 16120384 XKOSJKKANMKCSR-UHFFFAOYSA-N 436.442 2.028 0 40 IEAB O=C(N[C@@H]1CSC[C@@H]1O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372539 QNFKTFHWBYMCQV-NCYKPQTJSA-N 428.529 2.349 0 40 IEAB CCn1cc(S(=O)(=O)N2CCC(c3cc(C(=O)N4CCCCC4)on3)CC2)c(C)n1 19524628 FAXVTWQPIJQMEP-UHFFFAOYSA-N 435.550 2.394 0 40 IEAB COc1ccc([C@@H](CC(=O)N2CCN(C)CC2)N(C)S(=O)(=O)c2ccccc2)cc1 19936149 IPIYCOAFTNSGQD-OAQYLSRUSA-N 431.558 2.221 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(F)cc1 20674818 YCFYSUODLCAMTQ-VQTJNVASSA-N 442.466 2.493 0 40 IEAB CC(C)Oc1cccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 22372431 WZNPHZZYYGVRJL-UHFFFAOYSA-N 434.514 2.327 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)c1 22767090 IWYSBWMNTXSZQG-QGZVFWFLSA-N 425.576 2.032 0 40 IEAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)ccc21 23015679 JHUSIEPWGPTEIN-UHFFFAOYSA-N 446.510 2.379 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1CCN(C)C 23989606 JAYOJDWTVPOIDR-UHFFFAOYSA-N 428.924 2.030 0 40 IEAB COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1 24782580 HLQGHDWPJRRESR-KRWDZBQOSA-N 438.436 2.266 0 40 IEAB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 24822504 AKONTHPJBMJOIL-MRXNPFEDSA-N 444.495 2.421 0 40 IEAB NC(=O)c1ccc(NC(=O)CCC(=O)N2CCN(c3nsc4ccccc34)CC2)cc1 36358876 LFULKXKWSPMZHR-UHFFFAOYSA-N 437.525 2.463 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccnn3C3CCCC3)CC2)cc1 36385491 DXTPXVWYKRVXIH-UHFFFAOYSA-N 431.562 2.252 0 40 IEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C1 36666910 MTCOCCXFPVLDIX-ZIAGYGMSSA-N 441.509 2.489 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)Oc1ccccc1C 44949871 FIZHPDASAAOHLA-INIZCTEOSA-N 434.514 2.431 0 40 IEAB C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O 48260609 LLTJNLPTZSBZEE-OAQYLSRUSA-N 440.481 2.031 0 40 IEAB CN1CCN(CCCNC(=O)Nc2ccc(N3CCOCC3)nc2)[C@H](c2ccccc2)C1 48272893 RQTXQHLACHIEJV-QFIPXVFZSA-N 438.576 2.419 0 40 IEAB CC(C)CC[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Cl)cc1 59317123 JQJKYQNTEJZIDP-MRXNPFEDSA-N 431.924 2.381 0 40 IEAB CCOC(=O)[C@H](CSC(=O)C(C)(C)CO[N+](=O)[O-])NC(=O)OCc1ccccc1 68605738 FMZMUKAJFPGZKT-AWEZNQCLSA-N 428.463 2.339 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)NC2CCN([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)s1 72277692 FOHNDZOPQIRHKC-GOSISDBHSA-N 447.582 2.127 0 40 IEAB C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 72324334 VARHNDXEDWIEQI-HNNXBMFYSA-N 429.498 2.343 0 40 IEAB Cc1ccc(C2(CN3CCC(NC(=O)CCc4nnc(O)[nH]c4=O)CC3)CCCC2)cc1 72393537 HSMDGBYRDHGCQX-UHFFFAOYSA-N 439.560 2.204 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2cc(-c3nc(-c4cnccn4)no3)ccc2=O)cc1 77199967 CWBPIRJMMWUHEB-UHFFFAOYSA-N 446.423 2.171 0 40 IEAB COc1cc(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)c(OC)cc1Cl 79103151 FDCVBFDFGCKNCS-UHFFFAOYSA-N 434.923 2.077 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)c(C)c1C 90607797 VQJAXPGOOCQSJW-UHFFFAOYSA-N 427.530 2.404 0 40 IEAB Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1 96025606 CVGSSPWZWQSLBR-UHFFFAOYSA-N 432.527 2.362 0 40 IEAB CC(C)CCN1Cc2c(C(=O)N3CC[C@H](N(C)C)C3)ncn2-c2ccccc2S1(=O)=O 96147517 XIZGTPKCINPFMJ-KRWDZBQOSA-N 445.589 2.199 0 40 IEAB O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 96231184 QRVYHFSDAUXEID-CGIBVWHJSA-N 432.524 2.355 0 40 IEAB O=c1cccc2n1C[C@H]1C[C@H](C2)N(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1 100628468 RWERFBZTMRQMDB-UYAOXDASSA-N 435.576 2.465 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)ccc1Br 102395582 KRYBGDDXRRNEJP-OKILXGFUSA-N 437.290 2.414 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCSC1CCCC1)c1ccc2c(c1)OCCO2 222712885 OTJYKWKAOMIEHZ-UHFFFAOYSA-N 428.576 2.406 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1N1C(=O)CCC1=O 223969381 GFOVXHAWOICONE-UHFFFAOYSA-N 432.498 2.323 0 40 IEAB Cc1cccc(OCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224112680 DBAQOLVASKVCFZ-MRXNPFEDSA-N 434.514 2.116 0 40 IEAB COc1ccccc1N(CC(=O)NCc1ccccc1CN1CCCC1)S(C)(=O)=O 224769976 GBOKNQHEPDGAQG-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1 225030002 PTAYEKJWOCMKPI-LBPRGKRZSA-N 435.527 2.402 0 40 IEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccccc1OC 225141286 WGBGYGKBMJSLEB-GOSISDBHSA-N 436.530 2.444 0 40 IEAB Cc1cccc(Nc2cc(C)nc([C@H]3CN(C(=O)CCN4CCOCC4)CCO3)c2)n1 257225745 FHOSVVNXHYXZCS-OAQYLSRUSA-N 425.533 2.459 0 40 IEAB CN1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3cncc(-n4ccnc4)n3)cc2)CC1 257285450 PHCSBGTVCDPUAE-QFIPXVFZSA-N 446.559 2.190 0 40 IEAB O=C1CCCN1CCOc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4cccc4cn3)C2)c1 257332436 XXILERQNFKTILO-WMZHIEFXSA-N 448.523 2.011 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@H](c2cccc(Nc3ccc(F)cn3)n2)C1 257336789 YQAXYHSERFJLFJ-INIZCTEOSA-N 432.481 2.461 0 40 IEAB Cc1nc(Cn2ccnc2[C@@H]2CN(C(=O)CS(C)(=O)=O)Cc3ccccc32)cs1 306143927 YQVOIBCNUZLWIT-GOSISDBHSA-N 430.555 2.215 0 40 IEAB O=S1(=O)CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC[C@@H]1c1ccccc1F 390830675 MPJYFAHYPIZTNK-LJQANCHMSA-N 441.502 2.147 0 40 IEAB CCN(CCO)C(=O)CCc1ccc2c(c1)CN(C(C)C)CC(=O)NCCCCCO2 643574984 ADFZONTYYMHVNH-UHFFFAOYSA-N 433.593 2.349 0 40 IEAB O=C(CN(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1)NCc1ccccc1 887504 REKOOITVYXVSAG-UHFFFAOYSA-N 436.497 2.340 0 40 IEAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)ccc12 2130071 DJKPMGQAYBHPDA-IBGZPJMESA-N 436.420 2.479 0 40 IEAB biogenic COc1ccc([C@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)N2CCCCC2)cc1 8392007 JXFOXHVOVTVHMY-IBGZPJMESA-N 428.533 2.203 0 40 IEAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 8705498 YFNKRXQTDUCGOT-AWVSAENJSA-N 444.532 2.373 0 40 IEAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccccc4F)CC3)N2)cc1 8758308 VJSLWEBOHOIELY-LJQANCHMSA-N 437.475 2.034 0 40 IEAB COc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1S(=O)(=O)N1CCCC1 8981695 KZBMPXSMGLOXRT-UHFFFAOYSA-N 438.527 2.014 0 40 IEAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1ccncc1)c1ccc(Cl)cc12 8993394 AFRVLYKKIYBWPY-IBGZPJMESA-N 429.889 2.437 0 40 IEAB COc1ccc(NC(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 9184193 QVHACWCVVUGGMS-UHFFFAOYSA-N 445.541 2.241 0 40 IEAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9219345 LLWREMWNMVBJBK-MRXNPFEDSA-N 441.962 2.478 0 40 IEAB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9316588 YSVFEQNQUGFUJT-GFCCVEGCSA-N 438.531 2.087 0 40 IEAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O 9547917 YFBYCFBPLMMKEZ-UHFFFAOYSA-N 445.501 2.270 0 40 IEAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 9724945 ONTSQZAUYMRJTI-UHFFFAOYSA-N 430.505 2.127 0 40 IEAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 10286507 BFLXFNSSAMHMFP-CQSZACIVSA-N 449.495 2.294 0 40 IEAB CNC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 10337681 IUAPWMSHBCOFOU-UHFFFAOYSA-N 437.543 2.156 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 11916806 DHHJLXHBQWWDGC-UHFFFAOYSA-N 446.529 2.458 0 40 IEAB C[C@@]1(CSc2ccccc2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)NC(=O)NC1=O 12927740 BNFWOLJKFQFEDZ-HXOBKFHXSA-N 438.553 2.381 0 40 IEAB O=C(NCC(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1)Nc1ccccc1 12952286 UHKBHYQZNRVNQO-QGZVFWFLSA-N 435.484 2.252 0 40 IEAB COC(=O)c1ccc(NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 16101439 FVCRNBPGWKUOES-UHFFFAOYSA-N 427.456 2.217 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N4CCCCCC4)CC3)c(=O)c2c1C 19561453 HJKALUGQESDRLL-UHFFFAOYSA-N 432.590 2.304 0 40 IEAB CN(/C=C/c1nnnn1-c1ccccc1)CCN(C)/C=C/c1nnnn1-c1ccccc1 19596992 QDZZLPALZWEZDY-WXUKJITCSA-N 428.504 2.143 0 40 IEAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)Cn2cccnc2=O)CCO1 19697907 ILWHVSGXCXSGOJ-MRXNPFEDSA-N 440.525 2.196 0 40 IEAB CCOc1ccccc1-n1c(=O)[nH]c(O)c([C@H]2NCCc3c2[nH]c2ccc(OC)cc32)c1=O 20610541 VECJQAXMDOPELG-OAQYLSRUSA-N 448.479 2.355 0 40 IEAB biogenic Cc1ccc(OCC(=O)NCCNC(=O)c2nc(-c3ccc4c(c3)OCO4)no2)cc1C 21452382 KIEXZYPMVZIMPZ-UHFFFAOYSA-N 438.440 2.007 0 40 IEAB CCOC(=O)c1c(NC(=O)CNC[C@@H](c2ccccc2)N(C)C)sc(C(N)=O)c1C 22039350 MLJVUXCQHPKJSQ-HNNXBMFYSA-N 432.546 2.163 0 40 IEAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCN(CC(=O)N2CCCCC2)CC1 22914388 FUNSMDCUEMSRFI-MRXNPFEDSA-N 437.382 2.406 0 40 IEAB COCCCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc4c(c3)OCO4)no2)c1=O 23126692 IJEPAKHZERUYJF-UHFFFAOYSA-N 436.424 2.027 0 40 IEAB O=C(CSc1nnnn1-c1cccc(F)c1)NCc1ccc(CN2CCOCC2)cc1 23882239 HWRNWMBEFMQEPE-UHFFFAOYSA-N 442.520 2.042 0 40 IEAB CN(C)C(=O)[C@H]1CN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)c2ccccc2O1 32810557 SARYBFSCNSDTEQ-QGZVFWFLSA-N 440.481 2.413 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)CC(=O)NC2CCCCCCC2)nc1 40152169 ZCKQDWZXQNBLIR-UHFFFAOYSA-N 445.607 2.115 0 40 IEAB COc1ccc(OC)c(NC(=O)Cn2cnc3nc(N4CCSCC4)sc3c2=O)c1 45970659 PWGDFVQELVFPGF-UHFFFAOYSA-N 447.542 2.062 0 40 IEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCCc1cc(F)cc3c1OCOC3)C2=O 58394113 BBOCSSLTCWSUSM-PSLXWICFSA-N 447.507 2.488 0 40 IEAB C[C@H]1CCc2onc(C(=O)N3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c2C1 72338843 XKCHOYPFAVTTPZ-RBZFPXEDSA-N 430.530 2.382 0 40 IEAB COC(=O)c1nc(NC(=O)Cn2c(C)nc3ccc(O)cc3c2=O)sc1CC(C)C 72400919 XEVGAGCSZJGYSR-UHFFFAOYSA-N 430.486 2.491 0 40 IEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2COc3ccc(Br)cc32)C1=O 95976368 IBNUTJRXFIUCTI-KUHUBIRLSA-N 430.258 2.424 0 40 IEAB Cc1cccc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)n1 96119505 GDBPGRBGVVRUJX-UHFFFAOYSA-N 445.541 2.095 0 40 IEAB O=C(NC1CCCC1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ccccn3)C[C@@H]2C1 96251499 PEUAQDZCVPFNOC-CYFREDJKSA-N 441.576 2.111 0 40 IEAB COC(=O)Cn1/c(=N/C(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cc(F)ccc21 100876461 VIIMNKDETMITLM-LNVKXUELSA-N 441.440 2.409 0 40 IEAB C=CCc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(OC)c1OCC(=O)O 107561188 PZEOIEFPSPZCIB-CXUHLZMHSA-N 440.408 2.142 0 40 IEAB COc1ccc(CCCNC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1OC 219447099 XKFWZKQSHTVVQL-UHFFFAOYSA-N 446.525 2.378 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(N)=O)cc3)cc2)CC1 408607711 NUSVVLVZVRHBIP-UHFFFAOYSA-N 431.514 2.224 0 40 IEAB CN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)S(=O)(=O)c1ccc(Cl)cc1 3249206 DNVBLNIHYCWXKH-UHFFFAOYSA-N 427.935 2.248 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccc2c(c1)OCO2 3332955 LGSLUVYLTFNIDU-UHFFFAOYSA-N 439.873 2.351 0 40 IEAB O=C(COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)NC1CCCC1 3374196 ZDRCTEUQQLONGP-KKSFZXQISA-N 449.504 2.028 0 40 IEAB CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)NCc3ccc4c(c3)OCO4)nc2c1 8881971 PZFYMMWBQBDVLT-UHFFFAOYSA-N 449.510 2.215 0 40 IEAB COCc1c(C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)oc2ccccc12 9255350 ZHGJRJHKQIKELN-UHFFFAOYSA-N 434.452 2.336 0 40 IEAB COC(=O)c1ccc(C(=O)OCc2nc(CC(=O)Nc3ccccc3OC)no2)cc1 9480010 YQFAMHLQVDDTIP-UHFFFAOYSA-N 425.397 2.403 0 40 IEAB CCOc1ccc(-c2nnc3n(CCc4ccccc4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 10970035 KIHMIJPAVAYJTK-UHFFFAOYSA-N 430.468 2.379 0 40 IEAB O=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 12850850 ILCBPTUEMRFTNG-UHFFFAOYSA-N 447.488 2.447 0 40 IEAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(CCNS(C)(=O)=O)cc1 12982621 GSXIXOOUZGWGJL-JKSUJKDBSA-N 430.526 2.301 0 40 IEAB COc1cc(C(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)cc(OC)c1OC 13038912 UIRQQMHEPKPDMD-QFIPXVFZSA-N 426.425 2.125 0 40 IEAB COc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1 13056253 XCOPKHUYXLQBNO-MRXNPFEDSA-N 445.541 2.231 0 40 IEAB COc1cccc(OC)c1OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 13127726 LIRAQBOLYYZWFW-UHFFFAOYSA-N 430.482 2.470 0 40 IEAB COc1cc(CCNc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccc1OC(F)F 13164982 YYDZRMUMAOLKRA-UHFFFAOYSA-N 443.472 2.367 0 40 IEAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CSc3ncnc4sccc34)CC2)C1 14023039 XHIHUQJFRORJBS-HOTGVXAUSA-N 447.630 2.432 0 40 IEAB CC(C)(C)NC(=O)CN1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 14077567 SSGSGIQJNVUWJG-UHFFFAOYSA-N 448.995 2.251 0 40 IEAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 15184781 GBJIPMGXFQSPTF-UHFFFAOYSA-N 445.478 2.185 0 40 IEAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NC(=O)Nc1ccccc1F 15366095 GLMLZAOXRYQCCU-UHFFFAOYSA-N 437.497 2.268 0 40 IEAB CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]32)cc1 18189938 QYEGCUUQMCNPED-UXHICEINSA-N 437.456 2.416 0 40 IEAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)[C@@H](C)N4CCCC4=O)CCNC3=O)cc2)cc1 19079195 QNWXGMVILLVORT-XMSQKQJNSA-N 449.551 2.490 0 40 IEAB COc1ccc(-c2noc([C@@H]3CN(S(=O)(=O)CCc4ccncc4)CCO3)n2)cc1 19558537 LONQUEBDKJYUJE-SFHVURJKSA-N 430.486 2.086 0 40 IEAB COc1ccc(C(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)c(OC)c1 19755617 LNFMZEOVGBJSSQ-IBGZPJMESA-N 440.500 2.252 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(C)CC1 22851635 CXGCRXPPNYUYDB-SFHVURJKSA-N 435.521 2.130 0 40 IEAB C[C@@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 23270895 DOIOXXQQZZVRSB-DGCLKSJQSA-N 444.966 2.163 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 25448359 PNQOCLHTLLPOBN-UHFFFAOYSA-N 433.496 2.021 0 40 IEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 27773901 HDPJTYBQQBGAFZ-ZDUSSCGKSA-N 425.459 2.297 0 40 IEAB Cc1cc(Cc2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)s2)c(=O)[nH]n1 31813717 ILFYBRCANDFRSQ-UHFFFAOYSA-N 448.545 2.381 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(OCCn3cncn3)c2)C1=O 40139042 MKIGTEYVBNWGEZ-QHCPKHFHSA-N 448.483 2.153 0 40 IEAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 40309141 ZMBCYVCMEXUSQR-LAUBAEHRSA-N 434.452 2.491 0 40 IEAB biogenic NS(=O)(=O)c1ccc(CCNC(=O)NC[C@H](c2cccs2)N2CCCC2)s1 58171869 IETVLEWBMWSWPO-CQSZACIVSA-N 428.605 2.136 0 40 IEAB Cc1nc2cc(C(=O)N3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)ccc2n1C 72338794 FVNHMUSDGRMNIM-OAQYLSRUSA-N 439.541 2.464 0 40 IEAB O=C(CN1CCOCC1)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352438 AAELXXJJHPAXEQ-QGZVFWFLSA-N 443.569 2.022 0 40 IEAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@@]3(C)CCC(=O)N3)CC2)cc1 95456807 SOQYDVXZUVQZRF-VGOFRKELSA-N 435.590 2.482 0 40 IEAB CC(C)Cn1cnc2ccc(NC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)cc2c1=O 96116381 QYUGYFNRKAPNCD-LJQANCHMSA-N 433.468 2.132 0 40 IEAB biogenic COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3cc(C)no3)C2=O)cc(OC)c1OC 97997375 PCQXVMIHSMJTDX-MHWRWJLKSA-N 447.469 2.475 0 40 IEAB COc1ccc(-c2ncc(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)c(C)n2)cc1 223147571 SLEUPPHOYCVJIL-UHFFFAOYSA-N 440.525 2.477 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)s1 223848051 QDQJKQKNTIUDGX-UHFFFAOYSA-N 428.883 2.069 0 40 IEAB Cc1ccccc1OCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 224105591 YGYRYOZKBSPXBC-UHFFFAOYSA-N 438.933 2.478 0 40 IEAB COc1cc(CN(C)C(=O)c2sc(NS(C)(=O)=O)nc2C)cc(OC)c1OC 225875730 NIBWLDUMKWVYCO-UHFFFAOYSA-N 429.520 2.121 0 40 IEAB COC(=O)[C@@]1(CC(=O)N2C[C@H](C)O[C@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 247810812 CMZGYCIEXZXDJV-ZEEWTXFISA-N 446.519 2.317 0 40 IEAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)c2nccn2C)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257244949 INLGLYJGTKAVRJ-CZYKHXBRSA-N 438.503 2.370 0 40 IEAB CCc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)on1 257337206 YRWSODXVKZTYKJ-PXNSSMCTSA-N 427.501 2.396 0 40 IEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 390831051 PHWJHXNJMSJHEJ-YCRPNKLZSA-N 443.525 2.407 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCOC(C)C)C2)cc1OC 408562423 ZUMRPLZNAVMPAK-MRXNPFEDSA-N 428.551 2.036 0 40 IEAB COc1cc(C(=O)N2CCN(C(=O)COc3cccc(C)c3)CC2)cc(OC)c1OC 779588 DDLOVFOCZNCXKP-UHFFFAOYSA-N 428.485 2.384 0 40 IEAB COc1ccc(-n2c(S[C@H](C)C(=O)NC(N)=O)nc3ccccc3c2=O)cc1OC 2618538 SXZVAUUNCMFLLD-LLVKDONJSA-N 428.470 2.078 0 40 IEAB COCCN(C[C@@H](O)Cn1cc(C=O)c2ccccc21)S(=O)(=O)c1ccc(C)cc1 8753950 AJXAJKKENOEDEO-IBGZPJMESA-N 430.526 2.460 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1n[nH]c2ccccc12 9349935 VRTXINSOHRZMJA-ZDUSSCGKSA-N 430.486 2.306 0 40 IEAB CCCn1c(CCC(=O)N2CCOCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 9468569 CCIQPDBMVXVQSS-UHFFFAOYSA-N 434.562 2.022 0 40 IEAB CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCCCCC3)[nH]c2=O)cc1 9518164 HCASPPDHLVMHFV-UHFFFAOYSA-N 445.545 2.498 0 40 IEAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@@]1(CCCN(C(=O)Cc3ccccn3)C1)O2 12087194 UJNNBXLTBCQVJJ-QFIPXVFZSA-N 429.542 2.148 0 40 IEAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 12239803 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COC(=O)c1cc(NC(=O)COC(=O)c2cccc(N3C(=O)C=CC3=O)c2)ccc1Cl 409222778 CRTYGPPQZLQPCT-UHFFFAOYSA-N 442.811 2.352 0 40 IEAB O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1)N1CCOCC1 409245593 WGIJWBLIKQXDKK-MOSHPQCFSA-N 439.443 2.156 0 40 IEAB O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1ccc(N2CCCCS2(=O)=O)cc1 524734969 VSJFVOCSWXMANV-QGZVFWFLSA-N 432.531 2.283 0 40 IEAB C[C@@]1(c2cccc(-c3noc(-c4ccc5c(=O)n6c(nc5c4)CCC6)n3)c2)NC(=O)NC1=O 544392601 QTNBNCMCRMTWPX-QHCPKHFHSA-N 442.435 2.114 0 40 IEAB C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)c1ccccc1Cl)CC2 643564831 ISCWVAHLVLIJOC-INIZCTEOSA-N 435.952 2.384 0 40 IEAB Cc1ncsc1-c1ccc(CN2C[C@H](O)C[C@H]2C(=O)NC(=O)[C@@H](N)C(C)(C)C)cc1 1542984406 IPAIGJFOHJDSRN-ZIFCJYIRSA-N 430.574 2.070 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2)cc1 793254 WILZXWLRPBDSQQ-UHFFFAOYSA-N 445.541 2.005 0 40 IEAB O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)Nc1ccc(I)cc1 9195706 RALXBRDXFCYYNE-UHFFFAOYSA-N 449.208 2.312 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 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Cn1c(=O)c2c(SCC(=O)Nc3cccc(F)c3)nc(-c3ccco3)nc2n(C)c1=O 11758260 PNEAPYBFPHNOPE-UHFFFAOYSA-N 441.444 2.157 0 40 IEAB O=S(=O)(NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc(F)cc1Cl 12526726 SYIRXCCQGCLLLN-UHFFFAOYSA-N 448.929 2.354 0 40 IEAB COCc1c(C(=O)OCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)oc2ccccc12 12913773 QODBGOWMJXEKCN-UHFFFAOYSA-N 432.454 2.331 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)c2c(-c3ccccc3)noc2C)c(=O)[nH]c1=O 13006053 UZFUWZYTDUMNRD-UHFFFAOYSA-N 441.488 2.176 0 40 IEAB CC(CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)(c1ccccc1)c1ccccc1 13008675 QDCCPWDMYPTEDI-RXVVDRJESA-N 440.565 2.144 0 40 IEAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036776 CWQIGWGXIPTFJZ-KRWDZBQOSA-N 429.484 2.327 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC(C)C)c1ccc2c(c1)OCO2 14397076 YSCRXEOKBCNOLU-UHFFFAOYSA-N 447.513 2.348 0 40 IEAB Nc1nccnc1C(=O)OCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 14851577 LKVBNIQRCBWPEL-UHFFFAOYSA-N 446.511 2.177 0 40 IEAB COc1ccc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 15440159 VTPQJKHUKSGUHZ-UHFFFAOYSA-N 448.541 2.305 0 40 IEAB C[C@H](C(=O)N(C)C[C@@H]1CCN(C)C1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 19077391 ZXSIHGQTZVOSAY-GGUMNFRJSA-N 427.545 2.202 0 40 IEAB Cc1cc(-c2cnc(N(C)C)nc2CN(C)S(=O)(=O)CCOc2ccccc2)on1 19123550 QYVXWHSVAATLBV-UHFFFAOYSA-N 431.518 2.347 0 40 IEAB CC(C)[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19445991 KHBNDWXWXJUTOK-GHTZIAJQSA-N 428.537 2.096 0 40 IEAB COc1ccc(OC)c(C(=O)N2CC[C@H](c3nc(-c4cccnc4OC)cc(=O)[nH]3)C2)c1 19551011 BFYMDGHNCWIWSF-AWEZNQCLSA-N 436.468 2.487 0 40 IEAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(CC(=O)N3CCCCC3)C2)n1 19694739 MQKKTYYZNJEHRD-LJQANCHMSA-N 436.560 2.110 0 40 IEAB CN1CCN(C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)[C@@H](c2ccccc2)C1 19750685 JAKAOWFVMKJEBC-HSZRJFAPSA-N 444.535 2.294 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCO2 20104791 WGJDHUQMHBWLNT-UHFFFAOYSA-N 445.497 2.337 0 40 IEAB CCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 20768660 LHWAXBGTRDBBTM-UHFFFAOYSA-N 432.951 2.468 0 40 IEAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CCN(C)CC2)cc1 22795563 LYZYLBBBHBYRCI-FQEVSTJZSA-N 432.471 2.017 0 40 IEAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 25140217 KMYHKQLDYRAWMZ-UHFFFAOYSA-N 427.482 2.045 0 40 IEAB C[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccc(C(F)(F)F)c1 32983523 WCNSBIANSZGTIX-FZMZJTMJSA-N 431.436 2.048 0 40 IEAB Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(Nc2nc(C)c3ccccc3n2)n1 36245292 RXNZHBXTZBEHDC-UHFFFAOYSA-N 430.472 2.367 0 40 IEAB O=C(COc1coc(CN2CCCCC2)cc1=O)N1CCN(Cc2ccccc2)CC1 44894186 IEXLXIRRPXTUGG-UHFFFAOYSA-N 425.529 2.349 0 40 IEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCC(=O)N1CCCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 72339107 NEUFOWJCOBCVGE-PXAYELCQSA-N 425.529 2.460 0 40 IEAB COc1cc(C)ccc1OCC(=O)N1CCO[C@@H](c2ncncc2-c2ccnc(N)c2)C1 72370854 HGOCLPOUOLGHLV-HXUWFJFHSA-N 435.484 2.417 0 40 IEAB C[C@H](NC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(Cl)n(C)c1=O)c1ccccc1 96011629 ZKTMUZQBJIMIFI-AWEZNQCLSA-N 440.887 2.330 0 40 IEAB COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)nc2ccc(Cl)cn2c1=O 96114619 MENXRMIZTANFCW-GFCCVEGCSA-N 434.832 2.471 0 40 IEAB biogenic COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)nc2ccccn2c1=O 96115325 GXULZDDTABSNLC-MRXNPFEDSA-N 431.448 2.356 0 40 IEAB biogenic COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1C 223823561 OBBAJQRLNGJENW-OAHLLOKOSA-N 432.498 2.491 0 40 IEAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224080219 LKBINTREAFVESC-QGZVFWFLSA-N 448.541 2.424 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1=O)Cc1ccccc1F 225853512 DLAMNSWIXWKPBO-UHFFFAOYSA-N 447.532 2.026 0 40 IEAB FC(F)(F)c1cc(N2CCCCCC2)nc(NC(=S)NCCN2CCOCC2)n1 225905726 ISZDWKVOMWIYQO-UHFFFAOYSA-N 432.516 2.494 0 40 IEAB CC(=O)N1CCC[C@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 248021817 RKGBEDJZRZNOIE-LERMDLETSA-N 432.540 2.404 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@](C)(C(=O)N3CCOCC3)C2)c(Cl)c1 257220366 DKNVSNHFLAPNRG-OAQYLSRUSA-N 436.940 2.198 0 40 IEAB O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@]1(CCN(Cc3ccccc3F)C1)C2 306140713 VBPGBZPDRGODNT-QHCPKHFHSA-N 428.508 2.299 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3CC[C@@H](c4cccs4)S(=O)(=O)CC3)ccc2N1 390829941 HPOXAWYXIXEPAI-KRWDZBQOSA-N 440.568 2.183 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408658033 KPWUIPXMHRMMHB-GAMLAWPCSA-N 440.496 2.399 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 506701697 YAQRJNYZRNJPDV-RRUGBERISA-N 443.978 2.103 0 40 IEAB O=C(CN1CCOCC1)N1CCC[C@H](c2cccc(-c3noc(C(F)(F)F)n3)n2)C1 585290233 PBEQQSWYMZXXBG-ZDUSSCGKSA-N 425.411 2.189 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N3CCCC3)C2)cc1 1848356093 ZIPWGBJDDRNFSB-INIZCTEOSA-N 445.545 2.172 0 40 IEAB O=C(NCCOC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)c1cccnc1 3167104 HMLJCYUTFQULLK-UHFFFAOYSA-N 436.445 2.046 0 40 IEAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3sccc3C(N)=O)cc2C1=O 3362390 UQCDTRBQEOCCBA-UHFFFAOYSA-N 429.454 2.039 0 40 IEAB O=C(COc1ccc2ccc(=O)oc2c1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9441079 KNAMYWNPGMCHTH-GOSISDBHSA-N 427.478 2.388 0 40 IEAB O=C(Cn1cnc2c(nnn2-c2ccc(Cl)cc2)c1=O)Nc1ccc2c(c1)OCCO2 9517781 TUJGJDIPMSCUTJ-UHFFFAOYSA-N 438.831 2.041 0 40 IEAB COC(=O)c1c(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)sc2c1CCCC2 9961724 VTXCQJQMAOXQSI-UHFFFAOYSA-N 443.485 2.264 0 40 IEAB COc1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 10025399 OZSDDRGJUWQSOP-UHFFFAOYSA-N 437.500 2.002 0 40 IEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 12321895 MMJBJYKRIRKMCQ-IIBYNOLFSA-N 435.480 2.430 0 40 IEAB O=C(NCc1cccnc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 12555494 GVWBFPMLTFDUGS-UHFFFAOYSA-N 428.436 2.317 0 40 IEAB COc1ccc(OCCn2c(=O)c(N3CCOCC3)nc3cc4c(cc32)OCCO4)cc1 12819900 WFXXJSPHAKSSDS-UHFFFAOYSA-N 439.468 2.092 0 40 IEAB COc1c(F)c(F)c(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(F)c1F 12949814 LZMYEZKASRXHAJ-ZDUSSCGKSA-N 448.438 2.431 0 40 IEAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13495999 JDYAUOCAFGPZME-PZJWPPBQSA-N 440.548 2.338 0 40 IEAB CCCN(C(=O)c1cccc(NC(C)=O)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14580066 XJJQNIXEEAKMBD-UHFFFAOYSA-N 435.484 2.182 0 40 IEAB C[C@@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccc1 15940841 VZACWNSZHVDKEZ-MRXNPFEDSA-N 426.494 2.366 0 40 IEAB COc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2nccn2C)cc1 16473034 NFYPXOQUTQIACU-LJQANCHMSA-N 428.514 2.198 0 40 IEAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 18155479 SXAWMYQDSKGJHW-XSDIEEQYSA-N 447.422 2.348 0 40 IEAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc4c(c3)OCO4)[nH]c2=O)C1 19499130 IYLAUNCCBYCMBZ-QGZVFWFLSA-N 438.484 2.161 0 40 IEAB COc1ccccc1C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CC(C)C)CC3)C2=O)C1 19699787 FHSVPRIRVDCRJW-SFHVURJKSA-N 442.560 2.342 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(OC)c3)C1)C2=O 19700029 GXUMWRLMQVWHDS-LJQANCHMSA-N 442.560 2.025 0 40 IEAB COC(C)(C)C(=O)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702838 QGDBUKRANNLRCO-HNNXBMFYSA-N 433.530 2.094 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)CCN1CCC[C@H](C)C1)C2 19710897 QSHDKYIYONKPGY-KRWDZBQOSA-N 442.608 2.251 0 40 IEAB COC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20006535 HLJNKTODKQQMAX-KSSFIOAISA-N 440.949 2.389 0 40 IEAB CCOc1cc(CNn2c(CC)n[nH]c2=S)cc(Br)c1OCC(N)=O 22110458 ZGPJEIVZBRVEKI-UHFFFAOYSA-N 430.328 2.272 0 40 IEAB C[C@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22373563 VYBBXYBRATZITA-LBPRGKRZSA-N 446.497 2.012 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)cc2)CC1 23682333 GGPCIWLQDZUKOC-XLIONFOSSA-N 437.587 2.500 0 40 IEAB COc1cc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c(C(=O)N(C)C)cc1OC 25220267 JLLXMQKKIQVXHO-UHFFFAOYSA-N 447.513 2.198 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CNCCc1ccc(OC)c(OC)c1)n2CCC 25572439 ODCIJIJCEWLZBQ-UHFFFAOYSA-N 443.548 2.446 0 40 IEAB O=C(c1cccs1)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 32755615 PITZCFLITZLSJZ-KRWDZBQOSA-N 447.582 2.133 0 40 IEAB CSc1nc2nc(C)c(CC(=O)NC3CCN(C(=O)c4ccccc4)CC3)c(C)n2n1 32843041 WWMIXFKKEMAELF-UHFFFAOYSA-N 438.557 2.427 0 40 IEAB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 32934447 YNJXOKHKAQNYLK-IBGZPJMESA-N 433.936 2.449 0 40 IEAB O=C(CCN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)N[C@H]1CCS(=O)(=O)C1 33526969 ABOFIZSSZJKXTR-FYQHACEVSA-N 428.919 2.070 0 40 IEAB COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)CC1 38771162 KTEOUZZUXCBTDX-UHFFFAOYSA-N 442.965 2.293 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1C 40111545 IGIJYKKQGQQCGS-UHFFFAOYSA-N 426.517 2.126 0 40 IEAB O=C(NCCc1ccccc1F)C1CCN(C(=O)CCS(=O)(=O)C2CCCC2)CC1 40142361 UIWPZIOKBUBGNL-UHFFFAOYSA-N 438.565 2.471 0 40 IEAB CCc1ccc([C@H]2NC(=O)NC(CN3CCN(c4ccccn4)CC3)=C2C(=O)OC)cc1 57415287 IGSCYXUOAFKMJF-JOCHJYFZSA-N 435.528 2.247 0 40 IEAB NC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)C1 72228501 SKAYMNFUWYZBEJ-INIZCTEOSA-N 426.904 2.141 0 40 IEAB CN1C(=O)CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21 79001206 FAJALCXUWCCMQK-UHFFFAOYSA-N 427.526 2.413 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222858445 OYLMHVQVEZOIGY-QGZVFWFLSA-N 449.548 2.141 0 40 IEAB Cc1cc(C(=O)NCCCN2CCOCC2)ccc1N(C)S(=O)(=O)c1ccccc1 224201064 WDRRBIVLMSKFNJ-UHFFFAOYSA-N 431.558 2.272 0 40 IEAB COc1cccc(N2CCN(C3CCN(C(=O)c4cc5n(n4)CCCO5)CC3)CC2)c1 245015205 LQMZIYMMGYVHIJ-UHFFFAOYSA-N 425.533 2.101 0 40 IEAB C[C@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cc1 245237088 FJGDFPLYYCISQK-KXBFYZLASA-N 445.541 2.120 0 40 IEAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1[C@H]3Sc2[nH]c(=O)sc2C12CCCCC2 247430286 ULJQFMBPPQGCOO-WUNYPJTPSA-N 434.539 2.064 0 40 IEAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 253590603 CIFNHTFCARQDLZ-KKVAFCGZSA-N 425.533 2.292 0 40 IEAB Cn1cc(CN2CC[C@@]3(C2)CN(Cc2ccccn2)S(=O)(=O)c2ccccc2O3)cn1 306141457 VWUVLQMUQPIKEM-JOCHJYFZSA-N 439.541 2.043 0 40 IEAB CC(C)(C)C(=O)Nc1ccc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cn1 2298065721 NMASNTJTHJKXLJ-UHFFFAOYSA-N 427.530 2.337 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2ccc(OC)cc2OC)c1 3386830 RVTNRRVBOWSSIP-UHFFFAOYSA-N 431.397 2.073 0 40 IEAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@H]2CCCO2)c2ccccc2C)no1 8772901 LNHGBIAWDNQOFZ-QGZVFWFLSA-N 428.489 2.339 0 40 IEAB Cc1nn(Cc2nnnn2-c2ccccc2)c(C)c1S(=O)(=O)N1CCc2ccccc21 8776214 PVCNZTJMBSPQSR-UHFFFAOYSA-N 435.513 2.275 0 40 IEAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(=O)N2CCOCC2)CC1=O 8871365 CLZJERVCWBFFNA-QGZVFWFLSA-N 434.496 2.424 0 40 IEAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)NCc1ccc(F)cc1 9704279 YAFCEXDDYQHWRY-UHFFFAOYSA-N 434.489 2.474 0 40 IEAB COc1ccc(Cl)cc1N1CCn2c1nc1c2c(=O)n(CC(=O)C(C)(C)C)c(=O)n1C 10272342 XUBSOSSWJHZXBL-UHFFFAOYSA-N 445.907 2.326 0 40 IEAB Cc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1S(=O)(=O)N1CCOCC1 11401256 MSQBELMECGJSLF-UHFFFAOYSA-N 443.481 2.423 0 40 IEAB Cc1ccc(OCC(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 11796380 WEUNAXHOYHPBAP-UHFFFAOYSA-N 449.548 2.171 0 40 IEAB Cc1ncc(-c2ccncc2)c(CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)n1 12088878 MFCIOHOPBOXZTD-CYBMUJFWSA-N 439.497 2.387 0 40 IEAB CCn1c(=O)n(CC(=O)c2cccc(OC)c2)c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21 12276795 WUOKUNGZXZSUTM-UHFFFAOYSA-N 449.442 2.409 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O 13001524 SSRIOBANIGQBBK-OALUTQOASA-N 440.521 2.305 0 40 IEAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCC(C)(C)N1CCOCC1 13010760 OSLUUQPZDXOIOF-UHFFFAOYSA-N 445.585 2.314 0 40 IEAB CCOc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccc(O)cc4)CC3)cn2)cc1 13809398 KMYHMRKWSGPHSI-UHFFFAOYSA-N 434.496 2.363 0 40 IEAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14164704 BXPNORRJUPVUBM-JOCHJYFZSA-N 442.422 2.497 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccccc3Cl)CC2)c1=O 15658103 NRUFFERCLDFRIE-UHFFFAOYSA-N 426.904 2.185 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 16800600 GRZZZQUUCODOAY-VLIAUNLRSA-N 448.479 2.132 0 40 IEAB COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)cn1 17296552 ORVJWUIGSUKFHU-LJQANCHMSA-N 435.502 2.193 0 40 IEAB CCN1C[C@H](C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)CC1=O 19526868 MHFXKHFTUHVZJD-HXUWFJFHSA-N 449.555 2.183 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19741806 KCBCXWDUAHORJY-HXUWFJFHSA-N 435.528 2.107 0 40 IEAB O=C(NC[C@H]1CCCO1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 20110266 XSBXRYBHBQQAJO-QGZVFWFLSA-N 445.379 2.286 0 40 IEAB COc1ccccc1-c1noc(COC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)n1 23907958 JQUHYYKCGREFTF-QFIPXVFZSA-N 436.424 2.256 0 40 IEAB Cc1c(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c(=O)n(-c2ccccc2)n1C 25316199 QKEWQNAVHHALJB-UHFFFAOYSA-N 445.479 2.372 0 40 IEAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 25829078 LSZJNKNOTMRPBT-LBPRGKRZSA-N 428.864 2.096 0 40 IEAB CCCn1c(=O)n(CCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)c2ccccc21 32760702 LEVLOWPLZMGNDN-MRXNPFEDSA-N 445.545 2.106 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1=O 32923145 SJVGVPBNETUUHP-HXOBKFHXSA-N 425.485 2.368 0 40 IEAB COc1ccc([C@H](CNC(=O)CCNC(=O)c2ccccc2OC)N2CCOCC2)cc1 32969174 NXQYYNBHTHVPBZ-NRFANRHFSA-N 441.528 2.013 0 40 IEAB CSCC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1C(=O)c2ccccc2C1=O 32995888 VESRQGHTXWZOLC-RHSMWYFYSA-N 426.494 2.361 0 40 IEAB CC1CCN(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 44914126 NDXGZESKHFOYQP-GOSISDBHSA-N 429.970 2.105 0 40 IEAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccccc4F)CC3)nc2N)cc1 67336332 UTICGCYRMWIZAW-UHFFFAOYSA-N 443.504 2.366 0 40 IEAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 89967732 LTDGPVKOMQILSV-XLIONFOSSA-N 433.574 2.333 0 40 IEAB O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)NC[C@@H](O)C(F)(F)F)N1Cc1ccccc1 95939825 UHPCKGZASBWLLC-DYESRHJHSA-N 447.413 2.205 0 40 IEAB COc1ccc(CN2CCC(NC(=O)Cn3cnc4ccccc4c3=O)CC2)cc1OC 96118769 AEGIBINFXMUUCW-UHFFFAOYSA-N 436.512 2.195 0 40 IEAB CCS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1ccc(N)cc1 96521100 IUYKYMGKRGPIGO-UWVGGRQHSA-N 434.093 2.221 0 40 IEAB O=C(COC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc(F)cc2)cs1 97569677 ZWTMUPRBSDYPDQ-GASCZTMLSA-N 443.456 2.382 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1 226061514 VOEJJMFARNOKEC-UHFFFAOYSA-N 426.498 2.313 0 40 IEAB CC(=O)Nc1nc2nc(C3CCN(C4CCN(S(C)(=O)=O)CC4)CC3)ccc2s1 257220299 DKHVJLQBYWVREU-UHFFFAOYSA-N 437.591 2.253 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 408547532 ZJIDOJMEDIDADP-AWEZNQCLSA-N 448.497 2.361 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCn3ccnc3)C2)cc1C 408587838 CJZPDZNCPCJZGH-SFHVURJKSA-N 434.562 2.197 0 40 IEAB C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C1 408614280 ALGHUEYEECJSOT-LSDHHAIUSA-N 445.903 2.207 0 40 IEAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 408661511 WEDBSWDEIYWBEU-INIZCTEOSA-N 440.452 2.407 0 40 IEAB COc1nc(CNC(=O)c2ccc3noc(-c4ccccc4)c3c2)nc(N2CCOCC2)n1 575605498 BHXOKRXTESMOTE-UHFFFAOYSA-N 446.467 2.455 0 40 IEAB CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 1615549993 UEQKFTWDMFMIKI-MAUKXSAKSA-N 446.479 2.044 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5ccccc5Cl)C[C@@H]4C3)nn12 1888930419 CDQHZKFKCSPHEY-KBPBESRZSA-N 432.937 2.097 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@@H]2CN(c3ccccn3)C[C@H]21 1889237074 KUBIGBHPIBRHMJ-UYAOXDASSA-N 426.542 2.217 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2Sc2nnnn2C)cc1 3426826 XIQXPNRDYXGTCG-UHFFFAOYSA-N 427.515 2.438 0 40 IEAB COc1ccc(-n2c(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 5981467 QQGWFKUUYPJRJU-CQSZACIVSA-N 431.539 2.430 0 40 IEAB COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1 8927499 JGVKTIIJJUGLSB-HNNXBMFYSA-N 430.844 2.268 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1ccc(OC)cc1 8964876 LGLFXGWEPQOXGU-IBGZPJMESA-N 433.464 2.476 0 40 IEAB biogenic CNC(=O)NC(=O)[C@H](C)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(C)cc1C 9254323 ZIFMYWJOHYPNKS-HNAYVOBHSA-N 437.500 2.303 0 40 IEAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1 10022216 HSLYLRWCBQEORJ-SDNWHVSQSA-N 429.498 2.162 0 40 IEAB Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 12069976 JGGQVYDQTNAUPG-UHFFFAOYSA-N 427.464 2.471 0 40 IEAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@H]3CCCC[C@@H]23)CC1 12229922 DWAFWTZNNJYQGW-UFRUDQCGSA-N 441.557 2.116 0 40 IEAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)C1CCCC1 12523245 ZNYADWGCXVKOAQ-QGZVFWFLSA-N 437.562 2.427 0 40 IEAB COC(=O)c1ccc(OC[C@H](O)CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12770174 XKACDEZMUSRZFF-GOSISDBHSA-N 428.485 2.269 0 40 IEAB O=C(CSc1nnnn1-c1cccc(F)c1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13400832 IMDSBSIWLAQHKW-QGZVFWFLSA-N 440.460 2.187 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C(C)C)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 15957781 IQCOJZDMHYTKKF-XHOYROJHSA-N 433.464 2.193 0 40 IEAB biogenic C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 19463263 XMBKWGXXLBEIOA-RBSFLKMASA-N 426.542 2.392 0 40 IEAB COCc1ccc(C(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1 19692647 FQNAEXMWJINNCO-FQEVSTJZSA-N 434.500 2.360 0 40 IEAB CC(=O)N1CCC[C@@H](c2nc(CN(C)C(=O)COc3ccc(F)cc3)cc(N(C)C)n2)C1 19709721 MLDXLIFSJDSWTG-QGZVFWFLSA-N 443.523 2.445 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)c4cnc(C)cn4)C3)nc2C)c1 19758256 MOSQKSLQIUJDAV-GOSISDBHSA-N 446.511 2.452 0 40 IEAB O=C(CCCSc1ccc(NC(=O)c2ccc(F)cc2)nn1)NCCN1CCOCC1 21149096 CQBMHSCYYIJJHH-UHFFFAOYSA-N 447.536 2.189 0 40 IEAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 25154317 OHEDXAACKUTYOF-UHFFFAOYSA-N 436.433 2.183 0 40 IEAB CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccc(Br)o1)C(=O)NCCN1CCOCC1 32925708 MWSDDIOKJFYMEE-HKUPRMALSA-N 442.354 2.035 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 35313240 FBXMFZTWOZKAKG-XHYPOGGOSA-N 443.588 2.443 0 40 IEAB COP(=O)(OC)C1(NCCNC2(P(=O)(OC)OC)CCOCC2)CCOCC1 36359446 UTYPXLZKZPDCKH-UHFFFAOYSA-N 444.402 2.151 0 40 IEAB Cc1ccccc1N1CCN(CC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)CC1 58173797 ZGMSPMCRTGNBLB-JOCHJYFZSA-N 441.597 2.333 0 40 IEAB CC(C)(C)c1ccccc1OC[C@@H](O)Cn1nnc(CCN2C(=O)c3ccccc3C2=O)n1 58196323 PFYHHNJESYVTRR-INIZCTEOSA-N 449.511 2.249 0 40 IEAB CN(CC(=O)NCCOc1ccc(C(F)(F)F)cc1)C1=NS(=O)(=O)c2ccccc21 59309318 KPAPBTVNRYEREK-UHFFFAOYSA-N 441.431 2.281 0 40 IEAB CCCCN(C(=O)CN(CC(F)(F)F)C1CCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 72314375 YTERGGXPBIQGRM-UHFFFAOYSA-N 447.502 2.325 0 40 IEAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)ccc1I 78879318 MHHYCOMVBFCIML-LDYMZIIASA-N 437.075 2.438 0 40 IEAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CC(OCCCOc4ccccc4)C3)cc21 79048742 SHFDWIPRAPEYIE-UHFFFAOYSA-N 430.526 2.454 0 40 IEAB O=C(CNC(=O)c1ccc(F)cc1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 96855746 JBMZBPJUOYJGHC-SFQUDFHCSA-N 427.457 2.408 0 40 IEAB COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc(C(=O)OC)c1 223848199 UFLFJKQAOCWKNO-UHFFFAOYSA-N 446.481 2.360 0 40 IEAB COc1cccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 224478964 WMHFVGULSMOANN-GOSISDBHSA-N 440.905 2.071 0 40 IEAB COC(=O)CSc1nnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)s1 225684982 UHXYPZRYCSONKL-UHFFFAOYSA-N 436.924 2.080 0 40 IEAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@H](Oc4cc(C(F)(F)F)ccn4)C3)cc21 225737034 KZGIAJMFMKDEEN-LBPRGKRZSA-N 443.403 2.387 0 40 IEAB O=S1(=O)CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC[C@H]1c1ccccc1 390832512 ZUXKMOJRHLYAIO-FQEVSTJZSA-N 431.539 2.423 0 40 IEAB O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCO[C@]2(CCc3ccccc32)C1 511055244 WVIJJORFZZBVAI-OAQYLSRUSA-N 448.566 2.083 0 40 IEAB COc1cc([C@@H](CC(=O)N[C@H]2CN3CCC2CC3)c2oc(C)cc(=O)c2O)ccc1O 524730752 VZAONEAAWRGSAA-SJORKVTESA-N 428.485 2.100 0 40 IEAB biogenic C[C@H](NC(=O)c1cn2cccnc2n1)c1ccc(CNC(=O)c2cn3cccnc3n2)cc1 544305178 LRADPRWIMOCLIJ-HNNXBMFYSA-N 440.467 2.193 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)s1 8734236 HAXPQRUMUSJGQT-UHFFFAOYSA-N 449.476 2.384 0 40 IEAB Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3ccccc3Cl)nc2n(C)c1=O 8899036 HWEZCZDIPOICML-UHFFFAOYSA-N 445.932 2.062 0 40 IEAB COCCn1c(CCC(=O)Nc2cc(C)cc(C)c2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 9508620 ZPOFUDWJNMNWBR-UHFFFAOYSA-N 441.532 2.377 0 40 IEAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)NC1CCCCC1 9519650 FWYQWMIIHOROAX-UHFFFAOYSA-N 431.558 2.486 0 40 IEAB Nc1nc(SCC(=O)N2CCCc3ccccc32)[nH]c(=O)c1NC(=O)c1ccco1 9599485 FDPJGBKOBOMING-UHFFFAOYSA-N 425.470 2.269 0 40 IEAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1 9746421 MMCQTFZPJCVOMZ-KRWDZBQOSA-N 435.571 2.114 0 40 IEAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)c(C)n23)n(C)c1=O 9829509 KVIZVDTXMNAXKA-UHFFFAOYSA-N 443.891 2.280 0 40 IEAB COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCC(C)CC3)c2)CC1 10542226 OZFZCXVPOCXAEY-UHFFFAOYSA-N 438.546 2.141 0 40 IEAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)NCc1cccs1 10602876 HFGZOSIOGSPRDP-UHFFFAOYSA-N 434.495 2.293 0 40 IEAB CNC(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10858794 NWZQFDGOTZAJNF-UHFFFAOYSA-N 447.421 2.358 0 40 IEAB COc1ccc2nc(NC(=O)CCc3c(C)nc(N4CCOCC4)[nH]c3=O)sc2c1 11807003 RYENIFGCSQNVGS-UHFFFAOYSA-N 429.502 2.105 0 40 IEAB COc1ccc(NS(=O)(=O)c2cc(N3CCCCS3(=O)=O)ccc2OC)cc1 11906647 JTHJKOGUIIQTGW-UHFFFAOYSA-N 426.516 2.435 0 40 IEAB COc1ccc(CCNC(=O)C(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)cc1OC 12342461 HGFCYTHUEQMBFF-UHFFFAOYSA-N 437.496 2.227 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)CC2)c(C)c1 12794815 HTQWJWOHAQPMME-GOSISDBHSA-N 445.516 2.401 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)cc1 12897536 GMBJXODBMMFGII-UHFFFAOYSA-N 442.541 2.052 0 40 IEAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(Cl)c1 12907482 NIQATEXOMUYTSQ-UHFFFAOYSA-N 438.937 2.125 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCCN(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 13679496 DQZITBZFBBRELC-UHFFFAOYSA-N 425.551 2.150 0 40 IEAB CCn1ncc(S(=O)(=O)N2CCN(Cc3cccc(Br)c3)CC2)c1C 13961485 NMKLCLLVFYMWOL-UHFFFAOYSA-N 427.368 2.480 0 40 IEAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(Cc2ccccc2F)CC1 19552858 DFKKMGJMUQCEHS-UHFFFAOYSA-N 427.505 2.493 0 40 IEAB Cn1cc(-c2ccc([C@@H]3CCCN3C(=O)CCN3C(=O)NC4(CCCC4)C3=O)nc2)cn1 19688885 CDNULKLTWYIRRV-IBGZPJMESA-N 436.516 2.400 0 40 IEAB Cc1ccc(C)c(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)N(C)C)c1 20244747 FTCRWIKPBAMKJC-UHFFFAOYSA-N 448.564 2.404 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)C1 21986487 HUVXDFJYCVQWFJ-GOSISDBHSA-N 449.507 2.284 0 40 IEAB O=C(CN1CCN(Cc2ccsc2)CC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 22799303 PVJMPBCIDJCICA-HXUWFJFHSA-N 433.599 2.086 0 40 IEAB COCCCN(C(=O)Cc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 23120791 WIRNPWRDZHDONZ-UHFFFAOYSA-N 436.512 2.088 0 40 IEAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 24887715 IFLUBXLIHUXQRZ-WMLDXEAASA-N 438.956 2.185 0 40 IEAB COC(=O)COc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1 25466437 AXOSZPDZDCYJLG-LBPRGKRZSA-N 426.878 2.197 0 40 IEAB Nc1c(C(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(=O)[nH]c(=O)n1C1CC1 27372053 CHTXWZDJRRRDFS-QGZVFWFLSA-N 428.539 2.407 0 40 IEAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 28196862 JUIJSCNCJVOMMP-UHFFFAOYSA-N 426.516 2.141 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1=O 29049929 GSRRTSIXRCEVIZ-LJQANCHMSA-N 428.920 2.256 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(N2CCOCC2)CCCCC1 29968673 NCUQVYYOVPYZEA-SFHVURJKSA-N 443.635 2.202 0 40 IEAB COc1ccc([C@H](NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c2nccn2C)cc1 32843619 DCYJLPFKMWTBHD-IBGZPJMESA-N 439.516 2.231 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 33825797 MKJKEIKTOWKQOP-UHFFFAOYSA-N 435.461 2.065 0 40 IEAB COC(=O)c1ccn(Cn2nc(-c3cn(C)nc3C)c(Cl)c2-c2cn(C)nc2C)n1 36611597 QNVRBZWIFHDZLP-UHFFFAOYSA-N 428.884 2.443 0 40 IEAB COc1cccc(C[C@@H](C(=O)NCCCN2CCc3ccccc3C2)n2nnnc2C)c1 48326584 YLGGGSPYLDMDLT-QHCPKHFHSA-N 434.544 2.339 0 40 IEAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 48375009 MAZZTAQCXDNMGU-GUYCJALGSA-N 432.468 2.192 0 40 IEAB COC(=O)[C@H](NC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)c1ccccc1 60318108 IUTFHKPJQWZXBM-OAQYLSRUSA-N 439.468 2.224 0 40 IEAB C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1nnc([C@H]2CCCO2)s1 71333403 QDISZCKEQDKVDG-CZUORRHYSA-N 448.524 2.388 0 40 IEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)C2=O)cc1 89629901 YPJBLJJVPKKQRV-WAIKUNEKSA-N 432.484 2.220 0 40 IEAB COc1ccc(CN(C)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 222792488 AEONRZQNZVSJFY-UHFFFAOYSA-N 448.541 2.062 0 40 IEAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 224737028 WAXWRHFEWGVXQY-UHFFFAOYSA-N 443.525 2.163 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1 225734856 HZXSEYXEBVNKDM-UHFFFAOYSA-N 446.451 2.332 0 40 IEAB CCS(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)N(C(=O)c1ccc(OC)cc1)CC2 225958022 HYPHRDALMFIRBB-UHFFFAOYSA-N 431.514 2.118 0 40 IEAB Cc1cc(C)cc(CN2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)c1 306123150 AFRSHESPNLVJRM-HSZRJFAPSA-N 437.569 2.382 0 40 IEAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCN2C(=O)c3ccccc3C2=O)CC1=O 408638783 DMUOLUITJAZSDU-LBPRGKRZSA-N 428.828 2.498 0 40 IEAB CNS(=O)(=O)c1cccc([C@H](C)NC(=O)Cc2ccc(Br)cc2O)c1 548074100 PYTNUHIVQAHYLC-NSHDSACASA-N 427.320 2.483 0 40 IEAB O=C1OC2(CCN(S(=O)(=O)c3cccc4nsnc34)CC2)C(=O)N1c1ccccc1 1889237061 WDBYXMWBBYPTLC-UHFFFAOYSA-N 444.494 2.398 0 40 IEAB CCOc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 916714 ZZCSKXUWIVQXTQ-UHFFFAOYSA-N 435.521 2.339 0 40 IEAB Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c(C)c3cc2c1C 2100872 AGCPBUPLYQAYEZ-INIZCTEOSA-N 443.456 2.025 0 40 IEAB biogenic COc1cccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccccc2)c1 8601538 KOXPXNXCFALYGE-FQEVSTJZSA-N 442.493 2.236 0 40 IEAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccc(F)cc4)CC3)N2)cc1 8758262 RMNCFDBCCLXOKZ-FQEVSTJZSA-N 439.491 2.230 0 40 IEAB O=C(COc1ccc(F)cc1)NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21 9016706 ONYZTQAXIAKQAW-UHFFFAOYSA-N 439.422 2.115 0 40 IEAB CN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1N1CCCCC1 9157375 GHPJASBANOABBS-UHFFFAOYSA-N 427.549 2.395 0 40 IEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 9254376 ADDYSJDZLDBAQQ-QGZVFWFLSA-N 436.555 2.049 0 40 IEAB COc1ccc(Nc2nc(Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)cs2)cc1 9669741 PVVCWDVXOJOKCX-UHFFFAOYSA-N 432.893 2.344 0 40 IEAB COc1ccc(Cl)cc1NC(=O)CSc1c(C)cnc2c1c(=O)n(C)c(=O)n2C 10216532 PGBLLBXEECDJGZ-UHFFFAOYSA-N 434.905 2.333 0 40 IEAB CC(C)N(CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(C)C 12141357 YZFVCOFFXPXUKF-UHFFFAOYSA-N 431.624 2.258 0 40 IEAB Cc1scc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3cccnc3)CC2)c1C 12236270 PPBHAKOVJQDHAR-UHFFFAOYSA-N 445.570 2.307 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc2)C[C@@H](C)O1 12789110 WBSIILCOPKVMBO-QEEYODRMSA-N 444.509 2.205 0 40 IEAB Cn1cnnc1SCC(=O)Nc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 12926966 JIGUNKWOURDQFX-MRXNPFEDSA-N 439.497 2.116 0 40 IEAB CC(C)(CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N1CCOCC1 15934954 YAWUAXLBZMCERA-UHFFFAOYSA-N 435.521 2.467 0 40 IEAB Cc1nc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)sc1C(=O)OCC(C)C 16751804 HGVRBAJEMGCCTI-UHFFFAOYSA-N 432.911 2.364 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1cnn(C)c1C 19637343 RJDKWSJBTWIFQE-QJKHOBJASA-N 442.928 2.104 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(C)cc3)C1)C2=O 19699929 JFJVCVALJXVVGT-FQEVSTJZSA-N 426.561 2.325 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccc(C)c(C)c2)cc1 20018647 KBLLZABADALJLN-UHFFFAOYSA-N 445.585 2.256 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 20495681 ADRRELHNTIICJO-UHFFFAOYSA-N 434.470 2.418 0 40 IEAB O=C(NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 20744311 JUSKNFSXMFKGAJ-UHFFFAOYSA-N 425.869 2.274 0 40 IEAB COc1cc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc(OC)c1OC 22373098 YTYSBAGJYNSIRB-UHFFFAOYSA-N 444.456 2.073 0 40 IEAB CN(CC(=O)NCCc1cccc(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCCO2 24976578 NVCGTIVKCQBBCH-UHFFFAOYSA-N 438.933 2.481 0 40 IEAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)NC(=O)C(C)C)CC2)c(C)c1C 32778290 STTUBUIDXSLSGT-LJQANCHMSA-N 437.606 2.222 0 40 IEAB O=C(c1ccc(O)cc1)C1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 40040054 NYRWQAFVMHCNBG-VWLOTQADSA-N 447.491 2.207 0 40 IEAB Cc1cc(C)c(NC(=O)CS(=O)(=O)Cc2ccc(S(=O)(=O)N(C)C)o2)c(C)c1 40127583 PKKCNUPYDCEAKS-UHFFFAOYSA-N 428.532 2.009 0 40 IEAB COCCN(C(=O)CCc1ccc(Cl)s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 40140587 YDHOCTVWRMPZGU-UHFFFAOYSA-N 428.942 2.102 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 56997620 CVNDRBCGLDMAGI-UHFFFAOYSA-N 436.965 2.399 0 40 IEAB Cc1cc(NC(=O)Cn2c(-c3ccc(C(F)(F)F)cc3)nc(C)c(CCO)c2=O)[nH]n1 67301420 BGAVPTUQHRXOEB-UHFFFAOYSA-N 435.406 2.443 0 40 IEAB COc1ccc2c(c1)CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C[C@@]1(CCCN(C)CC1)O2 72394496 SBAUAEZAAWZJLS-JTSKRJEESA-N 436.574 2.096 0 40 IEAB CC(C)S(=O)(=O)c1ccccc1C(=O)NCCOc1cccc(NS(C)(=O)=O)c1 95453597 DNPBIPSLQBSAKX-UHFFFAOYSA-N 440.543 2.049 0 40 IEAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@@]32CCN(C)C2=O)c1 96144299 NECKNCLAUXYUKY-XMMPIXPASA-N 426.561 2.372 0 40 IEAB COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(F)ccc21 100872618 QENGFRYILPEIIR-VZCXRCSSSA-N 437.518 2.480 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc4c(c3)OCO4)c2)CC1 220010363 ITSINKSUVBBODU-UHFFFAOYSA-N 437.905 2.257 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222458004 FEFYBOYBHKJYPQ-GOSISDBHSA-N 431.558 2.233 0 40 IEAB COc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1OC 225048738 BBNDYGAAMVCVKT-UHFFFAOYSA-N 433.530 2.201 0 40 IEAB COC(=O)COc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1Br 226686375 SUSFVSYJUBNWII-UHFFFAOYSA-N 435.321 2.244 0 40 IEAB COCCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3N2)CC1 253595685 HKYLUSLOVIEYBY-DDDCRWRYSA-N 426.561 2.155 0 40 IEAB Cc1ccnn1CCC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257237365 HGCXNHKASVBWKM-VDKIKQQVSA-N 440.588 2.272 0 40 IEAB CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CCN(C(C)=O)C2 257279008 OEOGXXSCIQRAIC-QGZVFWFLSA-N 443.573 2.218 0 40 IEAB Cc1ccc(N([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 260891011 WLMBMUYSXKLFHF-LJQANCHMSA-N 445.585 2.298 0 40 IEAB COc1cc2c(cc1OC)[C@H](NC(=O)CC[C@@H]1NC(=O)N(Cc3ccco3)C1=O)CC2 524733583 WZFHLFIKGLXXKW-SJORKVTESA-N 427.457 2.301 0 40 IEAB CCOC(=O)[C@]12CCCN(C(=O)c3ccnc(F)c3)C[C@H]1CN(c1ncc(C)cn1)C2 585108076 PXHLOESLOZELHE-JTSKRJEESA-N 427.480 2.241 0 40 IEAB Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585286419 OTDSGPZFQZHWFS-JOCHJYFZSA-N 448.951 2.175 0 40 IEAB CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cc2c(O)ncnc2O)CC[C@H]1c1ccc(F)cc1 1141928547 PHGHGTGGSYXYSX-DOTOQJQBSA-N 446.479 2.479 0 40 IEAB O=C1CN(C(=O)c2cccc(NC(=O)CC3(n4cccc4)CCSCC3)c2)CCN1 1565525032 XROGGCLGQIDGJS-UHFFFAOYSA-N 426.542 2.311 0 40 IEAB Cn1c(C(=O)N2CC[C@]3(CCc4nc(-c5ccccc5)cc(=O)n4CC3)C2)cccc1=O 1614940557 GOBCWRSHHKDKIS-VWLOTQADSA-N 430.508 2.478 0 40 IEAB O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1cccnc1)C2 2037818703 PPTCZNMSPAKUJL-VWLOTQADSA-N 448.523 2.189 0 40 IEAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1OC 691943 BUQFBMSWULXYGF-KRWDZBQOSA-N 434.514 2.342 0 40 IEAB COc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CC(OC)OC)CC(=O)N21 2125363 SBCZPNDQGDKGMM-CYFREDJKSA-N 449.507 2.480 0 40 IEAB biogenic COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCO)CC(=O)N32)c(OC)c1 2152266 WLBWJZFOJWUJNS-RDPSFJRHSA-N 449.507 2.252 0 40 IEAB biogenic COc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 2654853 MNYJGDSGROLWHN-MRXNPFEDSA-N 443.525 2.471 0 40 IEAB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCN(c2ccccc2F)CC1 9573784 QNRDTWSFCCMETM-UHFFFAOYSA-N 426.423 2.482 0 40 IEAB O=C(CSc1nnnn1-c1ccccc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 9580843 COQQNEQWZRVBRN-OAHLLOKOSA-N 449.583 2.032 0 40 IEAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 9591277 HCCTZNWKFHTVEQ-HQPKTYMTSA-N 434.489 2.251 0 40 IEAB O=c1ccc(-c2ccc(Cl)cc2)nn1CCNS(=O)(=O)c1ccc2c(c1)OCCO2 9661058 INQAEBFLXHICOU-UHFFFAOYSA-N 447.900 2.313 0 40 IEAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccccc2)cc1S(=O)(=O)N1CCOCC1 9662641 JVDYXPGIXLRUFV-CSKARUKUSA-N 444.509 2.211 0 40 IEAB O=C(C[C@H]1NC(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1=O)N1CCCC1 12539011 DEGCEMZEOAYVJD-VQIMIIECSA-N 434.496 2.088 0 40 IEAB C[C@]1(NC(=O)CSc2nnc(-c3ccccc3Br)o2)CCS(=O)(=O)C1 12695252 GRPFMMDMPZCHAG-HNNXBMFYSA-N 446.348 2.285 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cn(Cc3ccccc3)nn2)s1 12778354 DXASDJLHCAGCJJ-UHFFFAOYSA-N 433.559 2.348 0 40 IEAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)N(C)C1CCCCC1 12781514 OSEKBKOUFFQZSX-CYBMUJFWSA-N 432.489 2.356 0 40 IEAB Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)c1C 13079235 OFJQYYLRPHJERE-UHFFFAOYSA-N 426.516 2.489 0 40 IEAB O=C(NCc1nc(-c2ccccc2)no1)C1CCN(S(=O)(=O)c2ccccc2)CC1 13591978 JMZXLDMFBFDLLS-UHFFFAOYSA-N 426.498 2.454 0 40 IEAB CCCN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)Cc1nnc(-c2ccco2)o1 14240682 ZSSGHTYROVVIFG-UHFFFAOYSA-N 444.492 2.074 0 40 IEAB COc1c(Br)c([C@H]2ON=C(C(N)=O)[C@H]2C)c(Br)c2c1OCO2 15084107 ASNKBXGQJLOCGS-MOFOKWOHSA-N 436.056 2.498 0 40 IEAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1cccc(C(F)(F)F)c1)c(=O)n2C 15880398 ROQXBKUKFZVIBF-UHFFFAOYSA-N 436.390 2.460 0 40 IEAB CN(C(=O)/C=C/c1ccc(-n2ccnc2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 16046781 MRUQWQAKQDADGE-FMIVXFBMSA-N 442.479 2.029 0 40 IEAB COc1ccc([C@@H](CNC(=S)NCc2ccc3c(c2)OCO3)N2CCOCC2)cc1 16318468 WZMDYUQJFBSAAG-LJQANCHMSA-N 429.542 2.462 0 40 IEAB COc1ccc(OCC(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)=O)CC3)cc1 19018941 FDLLYUYOMZSXDI-FQEVSTJZSA-N 440.500 2.228 0 40 IEAB CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2cc3c(s2)CCC3)CC1 19573794 LWRAWYBLEYJNLA-UHFFFAOYSA-N 431.543 2.098 0 40 IEAB COCCn1c(=O)n(C)c(=O)c2ccc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)nc21 19743581 MNONEYYAQDULAD-QGZVFWFLSA-N 426.492 2.260 0 40 IEAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)[C@H]3CCCO3)CC2)n1 19756261 AELULXBXHAAQBP-OAQYLSRUSA-N 428.508 2.449 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)ncn4C)C2)ncc1C(=O)N1CCOCC1 19764098 MSAUMEJUDRZIPH-GOSISDBHSA-N 448.527 2.164 0 40 IEAB COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C)CC2)c(OC)c1 20121123 BQTLMDKFTZLUQJ-OAQYLSRUSA-N 426.496 2.215 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc1C 23135098 KXBNAQIJUZDDED-UHFFFAOYSA-N 448.499 2.064 0 40 IEAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1cccnc1-n1ccnc1 29920104 QDBVZBOZGVKJKT-UHFFFAOYSA-N 428.290 2.466 0 40 IEAB O=C(CN1CCN(Cc2nc(-c3ccccc3)c3ccccc3n2)CC1)N1CCOCC1 29976630 SBSUJDWKYRGQLA-UHFFFAOYSA-N 431.540 2.273 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(OC)c(OC)c3)C2)cc1 30750776 YIIZFUWJZDJBMS-KRWDZBQOSA-N 448.541 2.430 0 40 IEAB COc1cc(-c2noc(Cn3ccn(-c4ccccc4)c(=O)c3=O)n2)cc(OC)c1OC 49407665 OYUOLHBZFDLDFR-UHFFFAOYSA-N 436.424 2.123 0 40 IEAB CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)C1 58331648 NPEFKOXRXZZMCU-RDJZCZTQSA-N 425.551 2.026 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)CC1 59890843 OWWCMSVLVRVHHS-BTYIYWSLSA-N 440.610 2.319 0 40 IEAB CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCN(C(=O)c2ccc(F)cc2)CC1 72307808 NCVJXYJRDUYBGG-UHFFFAOYSA-N 440.928 2.339 0 40 IEAB Cc1cc(C(=O)N2CCC(c3nc(N4CCC(C)CC4)ncc3S(C)(=O)=O)CC2)on1 72335967 VERUAWSEVQZYSJ-UHFFFAOYSA-N 447.561 2.433 0 40 IEAB O=C(NCCc1cccnc1)c1ccc2nnc([C@@H]3CCN(Cc4cccnc4)C3)n2c1 96156185 SSGNPLWEFMRIDL-HXUWFJFHSA-N 427.512 2.481 0 40 IEAB CO[C@@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(F)c1 96388579 IEKBRSOPXZGXPJ-IBGZPJMESA-N 442.534 2.422 0 40 IEAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100399334 IRNJOXDPFSPIHX-YRFCBLNGSA-N 440.471 2.385 0 40 IEAB COc1ccc(CNc2c(N3CCN(c4ccc(F)cc4)CC3)c(=O)c2=O)cc1OC 101700166 DUQYMNSSIPOKLT-UHFFFAOYSA-N 425.460 2.378 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3C[C@@H](O)C[C@H]3c3ccc(F)cc3)C2=O)cc1 108155671 RYWZYJKJTCLJTG-YDHSSHFGSA-N 425.460 2.236 0 40 IEAB Cc1noc(-c2cccn3c(CNC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)nnc23)n1 225748087 NRVSNGAPHZXYOS-AWEZNQCLSA-N 427.465 2.103 0 40 IEAB O=C(c1cc2ccccc2oc1=O)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225761306 KTQDOIABLZOJCD-UHFFFAOYSA-N 435.411 2.413 0 40 IEAB CN1CCC(Cc2cccc(F)c2)(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)CC1 257207395 BHNZCISRLCTLSJ-XMMPIXPASA-N 441.551 2.018 0 40 IEAB COc1ccc([C@H]2CN(C)[C@@H]3CCCN(CC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)[C@H]23)cc1 257223837 DZCRQMGJWHUXAS-JMUQELJHSA-N 435.528 2.366 0 40 IEAB Cc1ncsc1CN1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@@H]2C1 306127458 FZAVKKYGAIBWBO-IAGOWNOFSA-N 443.554 2.078 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccc(F)cc2)cc1 408624633 SYPXZHBDESANKX-UHFFFAOYSA-N 449.548 2.168 0 40 IEAB O=C(CN1CCN(S(=O)(=O)C2CC2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 1307935940 BLDBBRQZQCKZGQ-UHFFFAOYSA-N 425.860 2.407 0 40 IEAB COCCn1cnc2c(N3C[C@H]4CN(c5ccnc(C(F)(F)F)c5)C[C@@H]4C3)ncnc21 1888910670 MSDOOIKNNJMXCJ-ZIAGYGMSSA-N 433.438 2.459 0 40 IEAB O=C(COc1nc2ccccc2nc1N1CCOCC1)Nc1ccc(N2CCOCC2)cc1 3365926 WXNFWFKLXVJZJA-UHFFFAOYSA-N 449.511 2.321 0 40 IEAB COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)CSCC(=O)O)C2)C3)cc1 4237368 NYFAMPNZLYLMKZ-GOEBONIOSA-N 428.510 2.287 0 40 IEAB biogenic,in-vitro Cc1c(C)n2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CCN(C)C 8706223 PJEPMJOHEGALMW-UHFFFAOYSA-N 428.924 2.030 0 40 IEAB Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n(C)c1=O 8719840 FIQPHWBWNLVXCZ-UHFFFAOYSA-N 443.467 2.006 0 40 IEAB COc1ccccc1-c1nc(SCCN2CCCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 8900207 VQSUEZPZBFKZGQ-UHFFFAOYSA-N 441.557 2.281 0 40 IEAB CN1CCN(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 9090327 RYYMTBKFIZXIDF-UHFFFAOYSA-N 442.463 2.398 0 40 IEAB Cc1cc(C)cc(N2C[C@@H](O)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1 9243409 XWFIIYOKQANRFC-LJQANCHMSA-N 449.486 2.214 0 40 IEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 9390451 DPTXVJZZHQLYNR-UHFFFAOYSA-N 434.452 2.163 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 9633641 NLSLYVSIWCQSOK-INIZCTEOSA-N 434.543 2.443 0 40 IEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 9874158 GNHNGTYXHUIBMY-UHFFFAOYSA-N 431.452 2.012 0 40 IEAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)N[C@H](C)c2ccccc2)CS(=O)(=O)C3)cc1 10250502 JLJTYEDYLSYOMC-OAHLLOKOSA-N 438.509 2.425 0 40 IEAB CSCC[C@@H](C(=O)N1CCN(c2nccs2)CC1)N1C(=O)c2ccccc2C1=O 10269930 BQUIOSOHUVHZOB-INIZCTEOSA-N 430.555 2.210 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 10544417 CBZHQHOJZAUNSB-CYBMUJFWSA-N 446.953 2.305 0 40 IEAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NC2CCN(C(=O)C3CC3)CC2)Oc2ccccc21 12185230 DHNJZHYMIYWKGL-ZIWZYBDVSA-N 437.540 2.459 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)N3CCc4ccccc43)CC2)cc1 12797976 JVLDYCHWXSGZKP-UHFFFAOYSA-N 441.553 2.175 0 40 IEAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(F)(F)F 13032542 FGJFHOCNOIPVTN-UHFFFAOYSA-N 432.376 2.486 0 40 IEAB CC[C@H](C)N(C(=O)CSc1nnnn1-c1ccc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 13039216 FXVLFTDCRPHDLH-JKSUJKDBSA-N 437.591 2.185 0 40 IEAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 13040882 CLFJLIAWOCAIRF-INIZCTEOSA-N 434.514 2.431 0 40 IEAB COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1 13504265 QZKQADPZVNEADX-JOCHJYFZSA-N 438.532 2.248 0 40 IEAB CCOC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1 13684714 UXYRRPLBKQONJP-STQMWFEESA-N 433.349 2.087 0 40 IEAB COc1ccc(-c2coc3cc(OCC(=O)N[C@@H]4C=CS(=O)(=O)C4)ccc3c2=O)cc1 13730986 POSPEMHLLKTNGP-OAHLLOKOSA-N 441.461 2.274 0 40 IEAB biogenic COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 18082998 BKLKZPAGBFPGHS-UHFFFAOYSA-N 435.502 2.029 0 40 IEAB COCCOc1cc(CN2CCc3[nH]c(-c4cccnc4)nc(=O)c3CC2)ccc1OC 19593631 LUHWGXQIBDYQDN-UHFFFAOYSA-N 436.512 2.467 0 40 IEAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(C(=O)CCN3CCCC3)C2)n1 19694760 ZSRSJFQPGAOIQK-LJQANCHMSA-N 436.560 2.110 0 40 IEAB CCc1cc(C(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)on1 19694993 AYDBJMNXYVNNMS-INIZCTEOSA-N 434.500 2.489 0 40 IEAB Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCC(=O)N2CCc1ccccc1 19739433 DIYWSNQSOSWBES-SFHVURJKSA-N 428.558 2.446 0 40 IEAB CCn1ccc(C(=O)N2CCO[C@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)n1 19762751 DRZKRWYNGHWOQU-NRFANRHFSA-N 437.500 2.041 0 40 IEAB CCn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccc(F)cc1 21713680 BGWKWJHKZCVWCO-UHFFFAOYSA-N 439.422 2.345 0 40 IEAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(C(C)=O)CC2)c(OC)c1 22627506 DPNNEZITZTWOGD-KRWDZBQOSA-N 431.518 2.076 0 40 IEAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 24354072 SDWIITYJBALPJO-QHCPKHFHSA-N 446.507 2.316 0 40 IEAB O=C(NCc1ccc(CN2CCOCC2)cc1)NCc1ccc(CN2CCOCC2)cc1 24778587 HNALOTUKYJPPMQ-UHFFFAOYSA-N 438.572 2.350 0 40 IEAB COc1ccc(-c2nc(CSCCCn3c(=O)c4c(ncn4C)n(C)c3=O)co2)cc1 31433564 QYXRMHBBYXWEBQ-UHFFFAOYSA-N 441.513 2.421 0 40 IEAB CC(=O)N1[C@H](C)CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1C 32088014 LRMADKFQHZGZLJ-NXEZZACHSA-N 434.443 2.341 0 40 IEAB O=C(O)c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 35306741 HZGBYXCHMCMYPS-UHFFFAOYSA-N 436.467 2.257 0 40 IEAB COc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC 65086248 NPBZLIADXVGTCB-UHFFFAOYSA-N 448.541 2.087 0 40 IEAB COc1cc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc(OC)c1OC 72325706 RAVUMGCWJIAZFO-KRWDZBQOSA-N 439.468 2.302 0 40 IEAB biogenic Cc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CC1)O2 72393309 JEGPPUOUFUXOQJ-UHFFFAOYSA-N 442.537 2.125 0 40 IEAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC[C@H]21 257225159 FFCOFQUYZGLQJX-WOIUINJBSA-N 433.512 2.131 0 40 IEAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3cccc(Cl)c3)C2)cs1 306123366 ALFXJEOIJNIDMF-NRFANRHFSA-N 443.960 2.419 0 40 IEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)cc1C 408616223 XQDDOSLFKRNKPI-QZTJIDSGSA-N 439.512 2.171 0 40 IEAB COC(=O)CN1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)N(C)C1=S 409218517 JILUQPROXNMGTA-WDZFZDKYSA-N 429.292 2.039 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(OC)cc54)[C@H]3C2=O)cc1 504505374 IONSZNNLTKXDEU-SMOZNVCYSA-N 433.464 2.135 0 40 IEAB biogenic CN(C)[C@H](CNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccsc1 518417012 MMSYTKWLFWQCEJ-GDBMZVCRSA-N 442.632 2.422 0 40 IEAB O=C(COc1ccc(Cl)cc1)N1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 614569706 SACBUVFXXNWFJD-LJQANCHMSA-N 445.878 2.334 0 40 IEAB CO[C@@H]1CC(=O)[C@@H]2[C@H](O)CCC[C@H](C)OC(=O)C3=C(/C=C/C=C/C=C/C(=O)O)O[C@@H]1[C@@H]32 1772591671 KZMINERHJZACPQ-APNCQCCJSA-N 432.469 2.089 0 40 IEAB O=C(NCc1cccnc1)C1=NO[C@]2(CCCN(C(=O)Cc3noc4ccccc34)C2)C1 2055835351 JLJRVIYHIUOWPU-HSZRJFAPSA-N 433.468 2.219 0 40 IEAB O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NC(=O)[C@@H]1COc2ccccc2O1 2650511 CXFMWZUJZXSKSW-NRFANRHFSA-N 435.432 2.490 0 40 IEAB COC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2cccc(F)c2)sc2c1CCCC2 3292203 SKMOWWXLCMUMNN-UHFFFAOYSA-N 448.472 2.464 0 40 IEAB COc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)c(OC)c1 6924529 UHOMJBYTUWMYRC-UHFFFAOYSA-N 428.532 2.112 0 40 IEAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O 9190880 GSQAKOXNSFYNAP-QGZVFWFLSA-N 443.525 2.008 0 40 IEAB COc1ccc(Br)cc1CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1OC 9725932 GOZWQLOTDNWHAS-UHFFFAOYSA-N 443.319 2.386 0 40 IEAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)c1C 12199702 MZCMDCCUKRYEFU-UHFFFAOYSA-N 427.526 2.468 0 40 IEAB O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)c1ccc(=O)[nH]c1 12439986 SIWOAYMQRANLOC-UHFFFAOYSA-N 441.488 2.114 0 40 IEAB O=C1CC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCCC3)ccc2N1 12548689 VDHATIPHMRBSDM-UHFFFAOYSA-N 428.470 2.004 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(Br)cc1 12859134 FYVFPLRSQDDUIH-UHFFFAOYSA-N 440.319 2.034 0 40 IEAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccc2c(c1)OCCO2 12920182 RTLDTAREGQXZOT-OAHLLOKOSA-N 449.504 2.374 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)c2csc(-c3ccc(OC)c(OC)c3)n2)CC1 12920797 LNCBPSVZTZATNE-UHFFFAOYSA-N 439.559 2.371 0 40 IEAB O=C(Nc1ccccc1O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 15085479 UMDPKHPNOLEHAO-UHFFFAOYSA-N 441.303 2.428 0 40 IEAB COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1S(=O)(=O)c1ccccc1 15676413 GESCHVXNXXGJHI-FQEVSTJZSA-N 441.509 2.229 0 40 IEAB biogenic,in-vitro O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCC1 15958687 ACRIVRZALFKCEU-PDFGSZSQSA-N 431.492 2.298 0 40 IEAB biogenic COc1ccc(-c2noc(Cn3cnc4c(nnn4-c4ccccc4)c3=O)n2)c(OC)c1 16843155 WLTKSXIBYHXPSD-UHFFFAOYSA-N 431.412 2.093 0 40 IEAB O=S(=O)(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(Br)cc1 17096765 QOJPPUSJSYIEQY-UHFFFAOYSA-N 430.305 2.358 0 40 IEAB O=C(c1cc(-c2cccs2)n[nH]1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 19375706 OTVFSDLGRIXPTC-UHFFFAOYSA-N 429.527 2.475 0 40 IEAB COc1cccc([C@]2(O)CC[C@@H]3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)C[C@@H]32)c1 19577896 GRCFXNHQAJBXPL-ACWOFJMJSA-N 425.938 2.309 0 40 IEAB COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1 19589829 ALZKOURJENTIBB-OAQYLSRUSA-N 437.548 2.365 0 40 IEAB O=C(NCc1ccccc1)c1cccn(CC(=O)N2CCCC[C@H]2CN2CCCC2)c1=O 19750341 YNSVATDDVUFYDS-NRFANRHFSA-N 436.556 2.255 0 40 IEAB CS(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc21 19819421 GIJVINRCCXVCAI-UHFFFAOYSA-N 449.554 2.046 0 40 IEAB COc1cc(C(=O)NCCNc2ccc(-n3nc(C)cc3C)nn2)cc(OC)c1OC 19924236 BGPBFGZLXISMHM-UHFFFAOYSA-N 426.477 2.147 0 40 IEAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1 20720103 RSYVIRKKVIGGNO-SFHVURJKSA-N 433.468 2.495 0 40 IEAB CC(C)CN(C(=O)COC(=O)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 21612051 VQWRHZZMYBRLBI-CYBMUJFWSA-N 432.336 2.278 0 40 IEAB C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 21871362 VHCSRGNNHPMGHC-INIZCTEOSA-N 441.509 2.084 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22228039 NNMVVJZIUDOMBZ-UHFFFAOYSA-N 442.534 2.140 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1OCC 23055764 ABVWKXLOJHRHCG-UHFFFAOYSA-N 433.486 2.337 0 40 IEAB O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134754 VPDNVAFJUFJLAA-UHFFFAOYSA-N 448.861 2.317 0 40 IEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 27067401 FJHSZZZRRVXBNB-UHFFFAOYSA-N 446.429 2.448 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)O)c3c[nH]c4ccccc34)CC2)cc1 32090232 XOCLVZCXEYEQFY-FQEVSTJZSA-N 429.498 2.309 0 40 IEAB CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 35973907 QBORDHREZWQTHC-UHFFFAOYSA-N 434.905 2.051 0 40 IEAB O=c1c2nnn(Cc3ccc(F)cc3)c2ncn1Cc1nc(-c2ccc3c(c2)OCO3)no1 38486756 NBCYHOPPEJAOOP-UHFFFAOYSA-N 447.386 2.002 0 40 IEAB O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ncccn2)CC1 40956908 KXGNSWHPVPEREO-UHFFFAOYSA-N 444.470 2.405 0 40 IEAB Cn1ccnc1SCc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2ccccc12 58062962 BHBAJVUQOFCPCA-UHFFFAOYSA-N 434.543 2.176 0 40 IEAB CNc1cc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)nc(CN(C)C(C)=O)n1 72370144 RWDLRMVLBQHLST-INIZCTEOSA-N 429.496 2.421 0 40 IEAB O=C(CN1CCOCC1)Nc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 78413786 AWMWHXPGJMCORZ-UHFFFAOYSA-N 441.507 2.451 0 40 IEAB COC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@@H]1C(=O)OC)[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@@]2(C)O5 100393681 QCYVGCPBTZGMEM-BMJOGEGWSA-N 439.508 2.109 0 40 IEAB biogenic,in-vitro C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100538053 DVSSZZYKNXCIRL-OELWXQPESA-N 432.270 2.371 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cccc(SC)c3)C2=O)cc1 101166127 CFJXHEAUNJCDTB-MSOLQXFVSA-N 425.470 2.349 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C(=O)O)cc2)cc1 169700502 KQWJDELWBIHFNL-MANSERQUSA-N 428.466 2.389 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3C)no2)ccc1OC 223597639 MRZBMCORZFNGIY-UHFFFAOYSA-N 430.486 2.234 0 40 IEAB CCc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OC 223680325 MCVBTPBIXCOZEZ-UHFFFAOYSA-N 440.543 2.079 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 245230712 XHVCDDNFVURJPI-RLYSOPCVSA-N 429.561 2.053 0 40 IEAB Cc1cc(C)c2[nH]c(CCC(=O)N3C[C@@H](O)[C@H](n4ccc5c(C(N)=O)ccnc54)C3)nc2c1 257338733 YYTKVFUMQMVXRY-RTBURBONSA-N 446.511 2.005 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 408603906 GJSXLBIJSKOHDI-ZDUSSCGKSA-N 436.486 2.284 0 40 IEAB CCOC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3cc(C)cc(C)c3)C2)CC1 585287195 KSDNIHKBJKLKOC-XMMPIXPASA-N 447.576 2.198 0 40 IEAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@H](C(=O)N4CCC(C)(OC)CC4)C3)C2)c1 2056226461 RWMSJKHVKGSHHY-NZQKXSOJSA-N 436.524 2.222 0 40 IEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 8966375 DFYFUFZONMUPRX-DEOSSOPVSA-N 445.479 2.061 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 9190894 JAIQEHCAYUCJON-CQSZACIVSA-N 449.916 2.465 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 9451232 PDSJGGLQYLHPKJ-IDBYTSBWSA-N 431.558 2.083 0 40 IEAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9660408 DMLYIOOJVVIZCN-MRXNPFEDSA-N 446.511 2.361 0 40 IEAB CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(C(=O)OC)Nc3nnnn32)ccc1O 10232077 RQHJEGOJSJOOQS-GOSISDBHSA-N 439.403 2.241 0 40 IEAB CN(C)[C@@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1Cl 11998231 NPQQSGOXNJSJLB-SFHVURJKSA-N 435.933 2.439 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@@H](C)c4nn(C)c(=O)c5ccccc45)C3)cc2n1 12134507 ZMMCWBWXOTXQRY-JKSUJKDBSA-N 446.511 2.500 0 40 IEAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n(N)c2=O)cc1 12348362 KFZTZEPIKCBUAH-UHFFFAOYSA-N 449.895 2.475 0 40 IEAB Cn1c(=O)c(C(=O)CSc2ncnc3ccccc23)c(N)n(Cc2ccccc2)c1=O 12643814 BFXOHYXEKQLNME-UHFFFAOYSA-N 433.493 2.096 0 40 IEAB COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1=O 12850378 RVWZOANUHZMOLZ-HOCLYGCPSA-N 439.468 2.026 0 40 IEAB Cn1c(SCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 13117614 APGNBFFDNSPCHN-OAHLLOKOSA-N 432.527 2.388 0 40 IEAB CN(CC(=O)Nc1ccccc1N1CCOCC1)CC(=O)Nc1ccc(F)c(F)c1F 13135751 DDROEZCVGLLEMG-UHFFFAOYSA-N 436.434 2.450 0 40 IEAB CC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 13503213 UXHHTAPTRORHOM-UHFFFAOYSA-N 441.937 2.155 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)n2C)cc1 13691300 HRLKPWDVAVHPOC-UHFFFAOYSA-N 438.513 2.412 0 40 IEAB CCOC(=O)N1CCC(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)CC1 15525275 UIQBFNLJJCOTAN-UHFFFAOYSA-N 427.523 2.230 0 40 IEAB Cc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1S(=O)(=O)N1CCOCC1 15536826 LHGKXSGDHHFKOY-QGZVFWFLSA-N 437.587 2.110 0 40 IEAB O=C1C[C@H](C(=O)NCCc2nc(NC3CC3)ncc2C(=O)N2CCCC2)c2ccccc2N1 19697776 UPPDZFCLEBCFGF-KRWDZBQOSA-N 448.527 2.072 0 40 IEAB CCc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCCCOC)cc2c1 19822952 BMJQALFHXVMHJB-UHFFFAOYSA-N 446.617 2.136 0 40 IEAB CCc1ccccc1NC(=O)Cn1cnc2nc(N3CCN(CC)CC3)sc2c1=O 21886408 ZCFDFWWMACORKV-UHFFFAOYSA-N 426.546 2.196 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OC/C=C/c3ccccc3)cc2)CC1 22426384 HEZVTSDXZGZGGT-VMPITWQZSA-N 428.510 2.410 0 40 IEAB CS(=O)(=O)N1CCC(c2nn(CC(=O)c3ccccc3)c(=O)n2-c2cccs2)CC1 23141040 OZBTZQQYXUYUOV-UHFFFAOYSA-N 446.554 2.117 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)C1=O 23950011 KEQHCQIUKMZXFY-JTSKRJEESA-N 438.509 2.464 0 40 IEAB COc1ccc(-n2ncc(C(=O)N3CCN(c4nccs4)CC3)c2C(F)(F)F)nn1 24050778 AZGXTIAWUNBMTK-UHFFFAOYSA-N 439.423 2.109 0 40 IEAB CC[C@H](C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC(C(N)=O)CC1 24829046 XENNSBVEMBFEGF-LRDDRELGSA-N 449.495 2.122 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 32248673 IIBCOFOPWZBGKS-URXFXBBRSA-N 434.540 2.232 0 40 IEAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 34828946 SBBABXAXUPSTNC-CXUHLZMHSA-N 441.396 2.248 0 40 IEAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)C1 35378110 QXRBRCUVBZCHJT-CYBMUJFWSA-N 425.894 2.054 0 40 IEAB CC(C)[C@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccc2c(c1)OCCCO2 35380457 UBBZNLRFNRLDSC-QFIPXVFZSA-N 425.533 2.273 0 40 IEAB C[C@@H](C(=O)N[C@H](C)C(=O)NCCc1c[nH]c2ccccc12)n1cnc2ccccc2c1=O 36584594 WKBONKNLKZTFQC-CVEARBPZSA-N 431.496 2.302 0 40 IEAB biogenic O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1 67870817 XDYXBHOWEUHZGF-SMQFJCFBSA-N 446.595 2.408 0 40 IEAB biogenic,in-vitro Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(CC(=O)NC3CCCC3)CC1)O2 72394464 LIWVKFLGQKTLAY-UHFFFAOYSA-N 435.590 2.042 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1cccc(C)c1C 223930193 YVZLCNFLXLIOBQ-UHFFFAOYSA-N 448.541 2.142 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225192374 URJFQMCRXBHYRO-SFHVURJKSA-N 431.558 2.233 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nnc(SC(C)C)s2)cc1OC 225276451 KTSPVIMHMMSNMY-UHFFFAOYSA-N 446.576 2.315 0 40 IEAB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1)C1CCCCC1 257290957 QFARGVNYSZHJFM-GOSISDBHSA-N 431.581 2.243 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCc3ccccc32)cc1 610257323 RRDPBPGBFIZSTD-GOSISDBHSA-N 430.526 2.378 0 40 IEAB CCOC(=O)[C@](Cl)(NC(=O)N[C@@](Cl)(C(=O)OCC)C(F)(F)F)C(F)(F)F 1856232 HJBOFZUWVGXUEQ-IUCAKERBSA-N 437.120 2.407 0 40 IEAB NC(=O)c1c(NC(=O)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)sc2c1CCCC2 1908416 REZIQRBTRKOBRP-UHFFFAOYSA-N 446.554 2.342 0 40 IEAB COc1cc(/C=N/N2CC(=O)N3Cc4[nH]c5ccccc5c4C[C@@H]3C2=O)cc(OC)c1OC 2093760 XBTXZQPQZJVJMF-SXPOYZCRSA-N 448.479 2.323 0 40 IEAB CC(=O)N[C@@H]1C(=O)N=C(SCC(=O)N[C@@H](C)c2ccccc2)N(c2ccccc2)C1=O 2769760 VAXZPDMUADBGJV-IFXJQAMLSA-N 438.509 2.031 0 40 IEAB CCCS(=O)(=O)N[C@H]1CO[C@@H]2[C@H](OC(=O)Nc3cccc(C(F)(F)F)c3)CO[C@H]12 4235380 OYHVPQZRDAVVDZ-GBJTYRQASA-N 438.424 2.118 0 40 IEAB biogenic,in-vitro CC(C)(C)c1ccnc(N[C@H]2CO[C@@H]3[C@@H](NC(=O)CC4(CC(=O)O)CCCC4)CO[C@H]23)n1 5433906 ISOFICMSLMZRLW-IQGAEYHTSA-N 446.548 2.262 0 40 IEAB biogenic,in-vitro O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCN(c2nnnn2-c2ccccc2)CC1 9126197 WAEGTAAZCIVMAL-UHFFFAOYSA-N 439.328 2.480 0 40 IEAB CC1=NN(C(=O)CCCCC(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)[C@@](O)(C(F)(F)F)C1 9373374 QLGANAMEXRXKCO-KBPBESRZSA-N 446.348 2.265 0 40 IEAB CC(=O)Nc1nc(SCC(=O)NC2CCCC2)[nH]c(=O)c1NC(=O)c1cccs1 9518274 GAWNMEDJNRBCNT-UHFFFAOYSA-N 435.531 2.193 0 40 IEAB CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 9614019 UGISJBRWEAFWDK-UHFFFAOYSA-N 435.502 2.109 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C 11000298 DLEVESLUDBLZPX-UHFFFAOYSA-N 433.530 2.263 0 40 IEAB Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)no1 12029111 GKMSITMOTODTKV-KRWDZBQOSA-N 432.502 2.292 0 40 IEAB Cn1cc(-c2ccc([C@H]3CCCN3C(=O)CCN3C(=O)NC4(CCCC4)C3=O)nc2)cn1 19688887 CDNULKLTWYIRRV-LJQANCHMSA-N 436.516 2.400 0 40 IEAB COCCN1C[C@H](c2cc(N(C)C)nc(C3CCN(C(=O)CC(C)C)CC3)n2)CC1=O 19697331 FKNWUDBJUFYINY-GOSISDBHSA-N 431.581 2.257 0 40 IEAB Cn1nc(C2CC2)cc1C(=O)N1CC[C@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19703103 XQCMOIMONVYXRB-AWEZNQCLSA-N 439.541 2.259 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)c1 20716014 TYAVFDONXLRRSU-GOSISDBHSA-N 437.496 2.041 0 40 IEAB CC(C)(C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 21136121 OKPFHHFHPXMZNI-UHFFFAOYSA-N 425.503 2.017 0 40 IEAB O=C(NCCc1ccccc1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 21150494 OFKOORCWFLFBMD-UHFFFAOYSA-N 425.924 2.386 0 40 IEAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 23445591 AMHPNFCOXACDDQ-INIZCTEOSA-N 429.542 2.372 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(Cc3ccsc3)CC2)cc1 23989890 HZGURDJATUTPLB-FQEVSTJZSA-N 449.598 2.254 0 40 IEAB O=C(NCCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)c1ccc(F)cc1F 24301276 VJOIXIOQODSGEC-UHFFFAOYSA-N 429.467 2.364 0 40 IEAB CC(C)[C@H](NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc2c(c1)OCCCO2 24981468 KTVKDGLWIXEBSS-QFIPXVFZSA-N 425.533 2.273 0 40 IEAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 25072794 UAVKMRQULNZZDH-AWEZNQCLSA-N 448.574 2.482 0 40 IEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(C(=O)c4cc5ccccc5o4)CC3)ccc21 25241645 VZTMNAXGQQPQSV-UHFFFAOYSA-N 446.463 2.054 0 40 IEAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(O)c2)N1[C@@H]1CCS(=O)(=O)C1 27757594 RMZWSYCVHIGJJN-XCLFUZPHSA-N 425.466 2.220 0 40 IEAB Cc1sc2ncn(CCC(=O)Nc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)c(=O)c2c1C 36753006 PGTXBCALGMWBQB-OAQYLSRUSA-N 439.497 2.158 0 40 IEAB CN(Cc1ccccc1)C(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 39654881 UMPVFTMVAXCRBZ-FQEVSTJZSA-N 430.526 2.432 0 40 IEAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)C(=O)NC(C)(C)C 48302674 XHMGBNWONWAWFK-CRAIPNDOSA-N 449.548 2.135 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc([C@H]4CCCO4)s3)n2)c(F)c1 49550857 JFTPPQQNJVJRAD-OAHLLOKOSA-N 431.449 2.400 0 40 IEAB Cc1cc(C(=O)N2CCC(c3nc(N4CCC[C@H](C)C4)ncc3S(C)(=O)=O)CC2)on1 72335949 OCRPPYWRDDPJND-AWEZNQCLSA-N 447.561 2.433 0 40 IEAB O=C(c1cnccn1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 72348029 BGBDYHLVYMSZJK-SFHVURJKSA-N 431.500 2.185 0 40 IEAB COc1ncccc1CNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 95444218 DFZFPBAGCDHAON-HXUWFJFHSA-N 448.527 2.297 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2nc(-c3ccccc3)nn2C)c1 95453059 LKTBLMPHGCPCRJ-UHFFFAOYSA-N 447.948 2.358 0 40 IEAB C[C@@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCC1)N(C1CC1)C(=O)[C@@H]3[C@H]2C(=O)NCc1ccccc1 245229567 BECBFNRVEMJVFB-GQDRMJRRSA-N 449.551 2.065 0 40 IEAB Cc1nccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)n1 257328754 XGZBRWJOFDNOIL-LSQMVHIFSA-N 437.588 2.004 0 40 IEAB O=S(=O)(N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccc(Cl)c(C(F)(F)F)c1 390832023 WRHZXNMXOGHOTR-JTQLQIEISA-N 446.842 2.354 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408664664 QUYIRWNQVXPWBT-NHQIJDEQSA-N 426.469 2.009 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)CC2=O)cc1C 618255262 AKXWQWNWOKUBNS-KRWDZBQOSA-N 438.528 2.074 0 40 IEAB Cc1cc(C)n(-c2cc(N3CCN(c4ncc(Br)cn4)CC3)nc(C)n2)n1 1888901000 ARXLOEBLVMREPX-UHFFFAOYSA-N 429.326 2.467 0 40 IEAB COc1ncc(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4ccc(F)cc4)C3)C2)cc1C 2056226197 MRGSNWQHGTYQOY-OFNKIYASSA-N 429.492 2.214 0 40 IEAB COc1cc(NC(=O)CSc2nnnn2Cc2ccc3c(c2)OCO3)cc(OC)c1 1372394 YKVVIVVRELJPPC-UHFFFAOYSA-N 429.458 2.198 0 40 IEAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCC(C(=O)OC)CC2)c2ccccc21 3007540 OGAKBUPWSYVWHO-UHFFFAOYSA-N 427.501 2.104 0 40 IEAB CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2O1 3398281 AVJBBJUPWJXOLK-UHFFFAOYSA-N 430.526 2.312 0 40 IEAB CO[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccc(Cl)c(Cl)c1 4212620 JKXQBIZCQJLVOS-MCYUEQNJSA-N 433.313 2.313 0 40 IEAB in-man CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2c(=O)cnc3ccccc32)c1 8684430 QXLYXJRDVRPUJH-UHFFFAOYSA-N 428.514 2.374 0 40 IEAB CCCCCC[C@]1(C)NC(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 8965603 IVNYOPLLSTZVTR-NRFANRHFSA-N 437.562 2.488 0 40 IEAB O=C([C@@H](Cc1c[nH]c2ccccc12)n1c(O)nc2ccccc2c1=O)N1CCC[C@H]1CO 9136088 UBLSWCSNWVECMC-HRAATJIYSA-N 432.480 2.351 0 40 IEAB biogenic C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 9589474 QAFUOASPGLAKOH-HXUWFJFHSA-N 435.358 2.281 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)c1 9824038 CRTHNACFADPJAN-UHFFFAOYSA-N 445.483 2.190 0 40 IEAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCC(C(=O)N2CCOCC2)CC1 10054164 VGHYPXGSDHQJEQ-AWEZNQCLSA-N 429.439 2.483 0 40 IEAB CC[C@H](NC[C@H](O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1)C(=O)O 11667607 MNKQDMAGFRLZDT-PXNSSMCTSA-N 436.530 2.013 0 40 IEAB Cc1cc(O)n2nc(C3CCN(C(=O)c4ccoc4CN4CCOCC4)CC3)cc2n1 12134131 FMDHRALHUJEAFL-UHFFFAOYSA-N 425.489 2.188 0 40 IEAB O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1)NCC(F)(F)F 12532610 PEOAJFADHUNXPW-JXMROGBWSA-N 448.463 2.486 0 40 IEAB O=S(=O)(Nc1ccn(-c2ccccc2)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12771907 DJTHVVZEFCKHKQ-UHFFFAOYSA-N 432.527 2.458 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CCN2C(=O)NC(C)(C)C2=O)Cc2ccco2)cc1 12975625 LINZYEQKVDDGBS-UHFFFAOYSA-N 435.502 2.200 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3COc4ccccc4O3)c2)C[C@@H](C)O1 13126705 PQWRSSWBHXARSP-SOLBZPMBSA-N 446.525 2.054 0 40 IEAB Cc1ccccc1/C=C/C(=O)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164589 SACWOSDYPGGGNR-HRBBJJPOSA-N 446.551 2.074 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3ccc(Br)s3)nc2)CC1 14241711 IAAMJSBYVGYMIN-UHFFFAOYSA-N 445.408 2.478 0 40 IEAB Cn1cc(CN2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)c2ccc(F)cc2)CC3)cn1 19290697 PPURMAWCBIPHPS-FQEVSTJZSA-N 436.491 2.178 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)cc1 19448200 WDSWYAGJROIZHG-HXUWFJFHSA-N 446.573 2.461 0 40 IEAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)n1 19558365 WCTINRSLWHQIIR-GOSISDBHSA-N 447.561 2.392 0 40 IEAB Cc1noc(CCC(=O)N2CC[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)n1 19761133 MMKRWNQWZQNMKM-KRWDZBQOSA-N 449.511 2.347 0 40 IEAB C[C@@H](NC(=O)c1ccccc1NC(=O)COC(=O)CN1CSCC1=O)c1ccccc1 21372129 DRIHEZCRJDOTRY-OAHLLOKOSA-N 441.509 2.192 0 40 IEAB CN(CCCC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)S(=O)(=O)c1cccs1 23054706 QYEMXXZQPZPGIC-UHFFFAOYSA-N 449.554 2.437 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccnn1C1CCCC1 23106792 ZRVJIXRBSQQILS-UHFFFAOYSA-N 434.518 2.037 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ncc(C)s3)CC2=O)cc1 23122343 WBNBSUKEELZURL-CQSZACIVSA-N 436.559 2.474 0 40 IEAB O=C1CN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)C2(CCCCC2)C(=O)N1 23907994 VLHMWXGRHRKXQX-UHFFFAOYSA-N 439.497 2.498 0 40 IEAB O=C(Cn1ncc(Br)c(Br)c1=O)NCCc1ccc(F)cc1 24037582 VLEXIEQBNJDNSS-UHFFFAOYSA-N 433.075 2.266 0 40 IEAB O=C(Cn1nnn(-c2ccccc2)c1=O)NC[C@H](c1ccccc1Cl)N1CCCC1 24929617 ASELSSSADJGCBF-LJQANCHMSA-N 426.908 2.036 0 40 IEAB O=C(CN1CCN(C(=O)c2c(-n3cccc3)sc3c2CCCC3)CC1)N1CCOCC1 36389553 DFEXTIXYEOPWEX-UHFFFAOYSA-N 442.585 2.034 0 40 IEAB O=C(CCS(=O)(=O)C1CCCC1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 40120725 DBFVNIBENDZNOA-UHFFFAOYSA-N 442.603 2.225 0 40 IEAB CC(C)CN1C[C@H](C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1=O 40122054 CJQKCBPCYVPGRK-MRXNPFEDSA-N 425.451 2.494 0 40 IEAB Cc1c(Cl)cccc1NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520592 HYNQJZPDCHTJBQ-UHFFFAOYSA-N 433.921 2.357 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 58156561 OKSOLSZGNGRILN-UHFFFAOYSA-N 437.481 2.007 0 40 IEAB Cc1ccc2oc(C(=O)N3CCN(Cc4nc5ccccc5c(=O)[nH]4)CC3)cc(=O)c2c1 58310642 KFCFAWKCLKHOFO-UHFFFAOYSA-N 430.464 2.296 0 40 IEAB COc1ccc([C@H](O)CNC(=O)CN2C(=O)COc3cc(Br)ccc32)cc1 58819593 VOWIEJYCOWDSRD-MRXNPFEDSA-N 435.274 2.033 0 40 IEAB CC(C)(C(N)=O)N1CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)CC1 72306487 JVVCJCVYHGCPOY-UHFFFAOYSA-N 442.520 2.157 0 40 IEAB COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)ccc1OCC(N)=O 72393138 AGXUJLJYYUXGNZ-SFHVURJKSA-N 449.511 2.084 0 40 IEAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1C 113934039 OHIMAPNNIKPOGB-UHFFFAOYSA-N 445.541 2.181 0 40 IEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1cc(F)ccc1OC 223692923 HBUHLVIEZJZWRA-UHFFFAOYSA-N 432.495 2.330 0 40 IEAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(Cc2n[nH]c(=O)n2-c2cccs2)CC1 225545968 BDHGBBJDKYBABN-UHFFFAOYSA-N 439.497 2.011 0 40 IEAB Cn1cccc1C(=O)N1C[C@@H](c2ccnn2C)[C@@]2(CCCN(Cc3ccncc3)C2=O)C1 306127327 FVUWRJMSFYLLOE-YADARESESA-N 432.528 2.202 0 40 IEAB CN1c2ccccc2N(C2CCN(CC(=O)NCCc3ccccc3)CC2)S1(=O)=O 575414208 RIVMMVCEHYTEDV-UHFFFAOYSA-N 428.558 2.011 0 40 IEAB COc1cccc2c(C(=O)NCC(C)CNC(=O)c3n[nH]c4c(OC)cccc34)n[nH]c12 582611823 LCIMLGURPZBFNP-UHFFFAOYSA-N 436.472 2.252 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3C=C[C@H]2C3)c(S(=O)(=O)N[C@H]2C[C@H]3C=C[C@H]2C3)c1 606422313 JZOFASPYPMMTJA-VIUKOLAESA-N 434.583 2.481 0 40 IEAB Cn1cc(C(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)c2ccccc21 1549162234 SDHHMCJTWKNYJE-FQEVSTJZSA-N 436.512 2.226 0 40 IEAB CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)c3cccc(=O)n3C)N2Cc2ccccc21 2055747742 SEUINZSCEGKNMU-MOPGFXCFSA-N 437.544 2.086 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)O)CC2)cc1 2355409 QLZSOZMWFPKJDM-FQEVSTJZSA-N 430.526 2.208 0 40 IEAB COc1ccc(N2C(=S)N(Cc3ccc(F)cc3)[C@H]3[C@H]4OC(=O)[C@H](C[C@H]4O)[C@H]32)cc1 8253615 ZMSVXNCABCEKRQ-WAPOTWQKSA-N 428.485 2.485 0 40 IEAB biogenic,in-vitro COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCCO4)C2=O)cc1 9604883 RBOCYTGAQVIONS-JOCHJYFZSA-N 425.441 2.262 0 40 IEAB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 12391801 ZUKCLNVGZDTJME-LBPRGKRZSA-N 431.880 2.487 0 40 IEAB COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3c(C)cc(=O)oc3C)cc2)C1 12775534 NCODAMZDWJNBBL-OAHLLOKOSA-N 448.497 2.083 0 40 IEAB O=C(O)c1csc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1 12941296 SNZWHAYZUYQWEB-UHFFFAOYSA-N 433.511 2.003 0 40 IEAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12974100 UQQZKJNTAPXMKH-ZDUSSCGKSA-N 434.468 2.269 0 40 IEAB CC(C)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 13040999 LUYSWHHDRVKACR-UHFFFAOYSA-N 441.903 2.437 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)CC1 13069984 AJFLPIUHWDKLAW-UHFFFAOYSA-N 445.541 2.298 0 40 IEAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)cc3)cc2c1 13730337 YNFOVVXBZSXNLL-MRXNPFEDSA-N 443.477 2.151 0 40 IEAB CSCc1nn(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c(=S)o1 14250273 VMMSTHYDBJYLTD-UHFFFAOYSA-N 436.531 2.311 0 40 IEAB COc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 14869027 ALEGQAWMSFFKBL-IAGOWNOFSA-N 448.541 2.302 0 40 IEAB CCc1ccc(NC(=O)C[S@](=O)CC(=O)N2CCN(c3ccccc3F)CC2)cc1 15935406 GDXNITUVSPIRRR-SSEXGKCCSA-N 431.533 2.424 0 40 IEAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CN4CCN(C)CC4)C3)cc2n1 19452404 ZIGUNXYVBMDNEJ-OAHLLOKOSA-N 438.498 2.435 0 40 IEAB CN1CC[C@]2(CCC1=O)CN(CC(=O)NCCc1ccccc1)C(=O)c1ccccc1O2 19588484 OURSXABXEPTTKR-RUZDIDTESA-N 435.524 2.261 0 40 IEAB Cn1ccnc1C(=O)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19695694 GRKONCMOVJMGFW-MRXNPFEDSA-N 440.525 2.321 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)Cn2cnc3sc4c(c3c2=O)CCCCC4)cc1 19796973 CDSIGYCZXQIMMG-UHFFFAOYSA-N 432.527 2.013 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1C 20008620 VPOGIUPCNACJJU-UYAOXDASSA-N 432.542 2.188 0 40 IEAB COc1cccc(OC)c1/C=C/C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 20033620 HEGBMHLCCKTNFI-ZHACJKMWSA-N 446.525 2.054 0 40 IEAB CN(CCc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)Nc1cccc(Cl)c1 20465808 SVIIZVGSJPNSBN-IVAOSVALSA-N 433.936 2.125 0 40 IEAB biogenic,in-vitro COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@H]2[C@@H]1C 20466815 YXDGJKNDMTVMPB-SICCFQPGSA-N 431.577 2.288 0 40 IEAB biogenic,in-vitro COc1cc2ncn(CC(=O)NCCC(=O)N[C@H](C)CCCC(C)C)c(=O)c2cc1OC 20760741 JVUZKPZCNMLPKS-MRXNPFEDSA-N 446.548 2.251 0 40 IEAB biogenic CCc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 22361813 LHMLGIDCKYRQKZ-HNNXBMFYSA-N 438.571 2.296 0 40 IEAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 23013546 PRAOJFKWYKMBPV-AWEZNQCLSA-N 435.571 2.237 0 40 IEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 23845183 LJQMOFWRKYVBLT-DEOSSOPVSA-N 447.495 2.047 0 40 IEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1CN1CCCC1 24189975 HHBBRWSACVJKJD-UHFFFAOYSA-N 427.526 2.133 0 40 IEAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(Br)ccc3F)CC2)no1 26047892 QEKSTHSCQFUWKS-UHFFFAOYSA-N 425.258 2.281 0 40 IEAB COc1ccc(OC)c(CN2CCN(CCC(=O)Nc3sccc3C(N)=O)CC2)c1 32870784 MESHOLOOEIHGBD-UHFFFAOYSA-N 432.546 2.011 0 40 IEAB COc1ccc(OC[C@H](O)Cn2c(C[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 40050654 LJUFBHDVDXKGQB-DLBZAZTESA-N 430.526 2.462 0 40 IEAB Cc1cc(C(=O)CN2CCN(C(=O)C3CCCCC3)CC2)c(C)n1[C@H]1CCS(=O)(=O)C1 72274634 BNASAGKZPCISCE-FQEVSTJZSA-N 449.617 2.372 0 40 IEAB COc1ccc(-c2noc(-c3ccc(=O)n(Cc4cc(=O)n5ccccc5n4)n3)n2)cc1F 77100832 PDRXSLAVXWPEPW-UHFFFAOYSA-N 446.398 2.164 0 40 IEAB CCn1c(C2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)nn(CCOC)c1=O 77147573 KRUYGKUVOYGMQJ-UHFFFAOYSA-N 431.518 2.447 0 40 IEAB C[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)c1cccc(Br)c1 79099988 MAJKOGJHSIJLBB-ZDUSSCGKSA-N 447.376 2.408 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)n2)cc1OC 80329544 USWDBAFEFVLAJK-GAJHUEQPSA-N 427.501 2.081 0 40 IEAB COc1cc(NC(=O)COC(=O)c2cc(Br)ncc2N)cc(OC)c1OC 95466509 NBMZEUQCOLPHMT-UHFFFAOYSA-N 440.250 2.248 0 40 IEAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NC2CCN(C(=O)C3CC3)CC2)Oc2ccccc21 100181273 DHNJZHYMIYWKGL-PJJMUABWSA-N 437.540 2.459 0 40 IEAB CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3cccc(F)c3C)CCN2C(C)=O)c1 257295665 QZIUUWPCPIWUBT-NRFANRHFSA-N 426.492 2.338 0 40 IEAB COc1cc(OC)c(OC)cc1/C=C1\SC(=O)N(CC(=O)NC[C@@H]2CCCO2)C1=O 409217874 XWJVKKNEHCPGEZ-KCXFFNSDSA-N 436.486 2.044 0 40 IEAB Cc1ccc2nc(CS(=O)(=O)[C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)cc(=O)n2c1 502602838 WOEBDADBWVVMLX-CVEARBPZSA-N 425.510 2.284 0 40 IEAB CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 558482553 CDKDMEKYBSTIQJ-LJQANCHMSA-N 445.951 2.121 0 40 IEAB CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O 585106599 CPZWSCXEGGLCMU-QPPBQGQZSA-N 425.504 2.225 0 40 IEAB O=C(Nc1cccc(N2CCCCS2(=O)=O)c1)[C@@H](Cc1ccccc1)n1cnnn1 1565519202 VARVLGMMGINEJQ-LJQANCHMSA-N 426.502 2.026 0 40 IEAB Cc1cccc(Cn2c(=O)c3nscc3n(Cc3cc(=O)n4ccccc4n3)c2=O)c1 1565519978 AOIFSYPMPYZBMR-UHFFFAOYSA-N 431.477 2.033 0 40 IEAB CS(=O)(=O)N1CCC(N2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@H]3C2)CC1 2037844521 VKSREFZBCYVRRK-PZJWPPBQSA-N 449.617 2.023 0 40 IEAB O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 2696379 MEZVSZRQVHFSRZ-XCVCLJGOSA-N 449.529 2.373 0 40 IEAB COc1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 3252611 BLONUGQQJANXSN-UHFFFAOYSA-N 438.527 2.339 0 40 IEAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NC(=O)[C@@H]1COc2ccccc2O1 3298446 OBKIDCSWQIRQCT-INIZCTEOSA-N 441.421 2.040 0 40 IEAB Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 8594518 VAMMLEVWZVXKEQ-UHFFFAOYSA-N 440.934 2.355 0 40 IEAB COc1ccc(-c2nn(CC(=O)NC[C@@H]3CCCO3)c(=O)c3nc(C)sc23)cc1OC 8955662 UWRYMSOPYUXEHC-AWEZNQCLSA-N 444.513 2.141 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N[C@H](C)c1cccs1)c(=O)n2Cc1ccccc1 9315029 DSVUETKGXDCULX-OAHLLOKOSA-N 437.525 2.367 0 40 IEAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)NC(c2ccccc2)c2ccccc2)c1=O 9796067 LTFIPUXVMKMNMS-UHFFFAOYSA-N 447.539 2.025 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C)s3)CC2)c(C)c1 9882965 XAOCMALCLXHJII-UHFFFAOYSA-N 426.589 2.089 0 40 IEAB O=C1Nc2ccc(F)cc2/C1=c1/sc2n(c1=O)CN(c1cccc(C(F)(F)F)c1)CN=2 10059038 XNLJEJSVZOVNOC-NXVVXOECSA-N 448.401 2.274 0 40 IEAB CCc1nn(CC(=O)N[C@@H](C)Cn2nc(-c3cccs3)oc2=O)c(=O)c2ccccc12 12084758 PFCDSHKSWTXCAH-ZDUSSCGKSA-N 439.497 2.042 0 40 IEAB CC(C)c1ccc(O[C@@H](C)C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC[C@@H]2CCCO2)cc1 12137464 NNINEZJGCABUAM-VDGAXYAQSA-N 432.517 2.017 0 40 IEAB Cc1c(Cl)cccc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccccc1 13673017 LTECMFXUVGBEJN-UHFFFAOYSA-N 435.933 2.144 0 40 IEAB COc1cc(SC)ccc1C(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14583841 RASUUACASHRKEK-UHFFFAOYSA-N 426.498 2.174 0 40 IEAB O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1cccc(Cl)c1 15102361 XNJGXLNJNZFXSB-UHFFFAOYSA-N 439.940 2.492 0 40 IEAB O=C(CCN1C(=O)c2ccccc2C1=O)NCC(=O)Nc1ccccc1Br 15478722 JDNRRGZQGRHRHJ-UHFFFAOYSA-N 430.258 2.190 0 40 IEAB CC(C)CN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 15971397 PAWFPDVQDJDNCK-GOSISDBHSA-N 442.603 2.147 0 40 IEAB CC1CCN(C(=O)Cn2c(=O)n(C(C)C)c3nc(-c4cccs4)nc(C(N)=O)c32)CC1 19496724 DECNZMMCHOCTON-UHFFFAOYSA-N 442.545 2.260 0 40 IEAB CCN(CC)c1ncc2c(O)nc(C3CCN(CC(=O)Nc4ccn(C)n4)CC3)cc2n1 19526554 HVDSEZBRJDVYOK-UHFFFAOYSA-N 438.536 2.128 0 40 IEAB COc1cccc(CN2CCC(c3cc(C(=O)N4CCC[C@@H](C(N)=O)C4)on3)CC2)c1 19564888 RPXXIUVDNWOZKR-GOSISDBHSA-N 426.517 2.400 0 40 IEAB COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H](c3nc(O)c4c(n3)CCN(C)C4)C1)CO2 19590214 VLERZGFULWJPFQ-HNNXBMFYSA-N 436.512 2.361 0 40 IEAB O=C(CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NCc1ccc2[nH]c(=O)[nH]c2c1 19748601 MAYZNUWFXFDQQI-UHFFFAOYSA-N 446.504 2.103 0 40 IEAB Nc1nc(C2CCN(C(=O)CCCN3CCCC3=O)CC2)ccc1C(=O)NC1CCCC1 19765906 YIHKIEZJDHUXRF-UHFFFAOYSA-N 441.576 2.445 0 40 IEAB O=C(Nc1c(C(=O)N2CCN(CCO)CC2)cnn1-c1ccccc1Cl)c1ccco1 19908683 IBJVWOAPJRBBGK-UHFFFAOYSA-N 443.891 2.121 0 40 IEAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nn(C)cc32)c(C)c1 21713924 XATGMVDPUMUTTQ-UHFFFAOYSA-N 435.459 2.340 0 40 IEAB CNS(=O)(=O)c1cc(-c2cc(C(=O)N3CCc4ccccc4C3)n[nH]2)ccc1OC 21806245 HSBAUASVOCQSRS-UHFFFAOYSA-N 426.498 2.192 0 40 IEAB COc1ccc(CNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c(OC)c1OC 22373014 KZLFVQURMSEEBT-UHFFFAOYSA-N 444.456 2.073 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)C2)s1 31044086 GCQSTLYGULMLMK-JKSUJKDBSA-N 436.555 2.413 0 40 IEAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 32362760 POTMQIBYFSWUPR-ROUUACIJSA-N 428.510 2.131 0 40 IEAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)Nc1cc2c(cc1Br)OCCO2 32857803 IRAGVTOPTQXGME-MRXNPFEDSA-N 446.301 2.071 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3nc(-c4ccccc4)cs3)CC2)CC1 38488174 IUXSUTISEMMWKB-UHFFFAOYSA-N 448.614 2.126 0 40 IEAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)Nc3ccc(F)cc3F)c2=O)CC1 49409132 IMLQGGJIVDGIPU-UHFFFAOYSA-N 425.457 2.186 0 40 IEAB COc1cc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c(C(=O)O)cc1OC 69515578 VQHQBGMULBNJSD-UHFFFAOYSA-N 426.834 2.351 0 40 IEAB COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2C=C[C@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@]2(C)O5 253505121 QCYVGCPBTZGMEM-PKXSMVBZSA-N 439.508 2.109 0 40 IEAB biogenic,in-vitro Cc1ccc2nc(C(=O)N3CCN(C)[C@H](C(=O)NCc4ccc5c(c4)CCCO5)C3)cn2c1 257234055 GRXFJTWZXFVBBW-NRFANRHFSA-N 447.539 2.040 0 40 IEAB CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3cccc(F)c3C)CCN2C(C)=O)c1 257295666 QZIUUWPCPIWUBT-OAQYLSRUSA-N 426.492 2.338 0 40 IEAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 260903965 ZBBJRQKPDFKTNG-MRXNPFEDSA-N 433.530 2.325 0 40 IEAB CS(=O)(=O)N(Cc1ccc(C(=O)NCCCN2CCOCC2)cc1)c1ccccc1 408625446 VCZMPWGGCOLRFO-UHFFFAOYSA-N 431.558 2.105 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)c1cn(CCC(C)C)nn1)CC2 525375584 VJIVDHKRVIHUMK-UHFFFAOYSA-N 443.548 2.436 0 40 IEAB O=C(C[C@@H]1OC[C@H]2CN(c3ncccc3C(=O)N3CCCC3)CC[C@@H]12)NCC(F)(F)F 585109255 FIBOTOSQVKALOR-INMHGKMJSA-N 440.466 2.228 0 40 IEAB COCCN1C(=O)CN(C2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)CC2)C1=O 824411934 GHIIOYYBRKYJEZ-UHFFFAOYSA-N 427.423 2.150 0 40 IEAB COC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2[C@H](c2ccc(OC)c(OC)c2)[C@H]1C(N)=O 1667460 OTESDCAELZGMGO-NQERJWCQSA-N 429.469 2.300 0 40 IEAB COc1cc(OC)c2c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(=O)oc2c1 2123099 OJHFRIXGYNNJQJ-KRWDZBQOSA-N 425.437 2.473 0 40 IEAB biogenic CCNC(=O)NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CCOC)CCCC3 3521969 JTRNNDBTHHTBOP-LLVKDONJSA-N 438.575 2.310 0 40 IEAB COc1ccc(/C=C/C(=O)NCc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 3577871 OUDKMQGFDSYJJO-CSKARUKUSA-N 430.526 2.354 0 40 IEAB COc1cc([C@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H](CO)[C@@H]2CO)cc(OC)c1O 3794009 WKDDUPJDCWIWAP-ZYKUOIRYSA-N 436.457 2.162 0 40 IEAB biogenic,in-vitro CCCCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 5848849 LEYWJKCOXSJRGC-UHFFFAOYSA-N 426.535 2.333 0 40 IEAB COCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C 8706116 FYOHPTKPCVTTID-ZDUSSCGKSA-N 430.896 2.002 0 40 IEAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)NCc1ccc(F)cc1 9034039 UXFCCUWTZRGTAE-BTYIYWSLSA-N 428.416 2.319 0 40 IEAB biogenic COc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC 9096927 FTPOPFQEDVQMNC-UHFFFAOYSA-N 436.486 2.058 0 40 IEAB CCOc1ccc([C@H]2NC(=O)NC(CS(=O)(=O)c3cccs3)=C2C(=O)OC)cc1 10273575 MXAUTLNPTRBWBH-QGZVFWFLSA-N 436.511 2.402 0 40 IEAB Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1C 12792214 PFYBVLQPOVDKOA-YPMHNXCESA-N 444.575 2.198 0 40 IEAB O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12805779 KQBLOMVIKQIDHU-HXUWFJFHSA-N 435.496 2.291 0 40 IEAB COc1cc(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c(C)cc1C 13009322 JLQBEHWBWZPTKZ-UHFFFAOYSA-N 442.545 2.107 0 40 IEAB Cc1cc(C)n2nc(SCC(=O)N(C3CCCCC3)[C@@H]3CCS(=O)(=O)C3)nc2n1 13131197 STIMGXYYIVNHRX-MRXNPFEDSA-N 437.591 2.182 0 40 IEAB CN(C)CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(C(=O)c3ccn(C)n3)C[C@H]21 19290973 CPDLBLUDJKSGAS-GHTZIAJQSA-N 439.560 2.127 0 40 IEAB CC1CCC(N2CCc3nc([C@H]4CCCN(S(=O)(=O)N(C)C)C4)nc(O)c3C2)CC1 19495970 HJKOHZLEYWHRHS-CGZBRXJRSA-N 437.610 2.105 0 40 IEAB Nc1ccc(C(=O)N2CC[C@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)cn1 19702274 YAAGMBMZIRENRP-HNNXBMFYSA-N 437.525 2.376 0 40 IEAB CCN(C(=O)Cn1nc(C)ccc1=O)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 19712700 XTZPNQZHQIQKHW-RTWAWAEBSA-N 440.544 2.459 0 40 IEAB CN1CCN(C(=O)/C(=C\c2cccnc2)NC(=O)c2cccc(Br)c2)CC1 19939935 CSEIFZKIMCBSQI-LDADJPATSA-N 429.318 2.389 0 40 IEAB COc1ccc([C@H](CNS(=O)(=O)c2cc(F)ccc2F)N2CCN(C)CC2)cc1 22794976 JFWUIQVIDWIRRL-IBGZPJMESA-N 425.501 2.240 0 40 IEAB COc1ccc([C@@H](NC(=O)CNC(=O)NCc2ccc(F)cc2)c2nccn2C)cc1 24026290 HQVPANLSCSVWRV-HXUWFJFHSA-N 425.464 2.273 0 40 IEAB Cc1oc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc1S(=O)(=O)N1CCCC1 48237216 XWYOEIPOXPZATP-UHFFFAOYSA-N 446.529 2.258 0 40 IEAB O=C(CCN1C(=O)CSc2ccccc21)NCCS(=O)(=O)N1CCc2ccccc21 48248609 OPWRCRLFNPXTRS-UHFFFAOYSA-N 445.566 2.024 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(-n3nc(C)cc3C)nc2)cc1 48285699 UMBOSYVCULHOTB-UHFFFAOYSA-N 427.530 2.177 0 40 IEAB O=C([C@@H]1OCCc2ccccc21)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338901 TXTNUGDJTFMPSC-NHCUHLMSSA-N 427.526 2.269 0 40 IEAB CCS(=O)(=O)N1CCC(c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)C3)CC1 72371947 PKDUQNXDRYASFP-UHFFFAOYSA-N 428.558 2.446 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)C1 90591868 HSYLMNJVGMMVPD-ZWKOTPCHSA-N 427.505 2.458 0 40 IEAB Cn1cc(C[C@H](CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C(N)=O)cn1 95448234 CQWDADVBPFWRMN-GOSISDBHSA-N 448.552 2.434 0 40 IEAB COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NCCn2ccc3ccccc32)C1=O 96224028 GQGOXJGWJKUAPH-IBGZPJMESA-N 434.496 2.319 0 40 IEAB CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CCN(S(=O)(=O)CC(C)C)C2 96262161 LGFCQDRGJKIGMZ-NRFANRHFSA-N 436.578 2.061 0 40 IEAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC[C@H]1COc2ccccc2O1 96905386 ZSVNVDFUJFJOGM-INIZCTEOSA-N 436.434 2.179 0 40 IEAB O=C(c1ccc[nH]1)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 97123567 KWLBTHGHIORGHT-SFHVURJKSA-N 440.891 2.129 0 40 IEAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100399332 IRNJOXDPFSPIHX-XSRDJWQWSA-N 440.471 2.385 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCC[C@@H](C)C4)nc(=O)c32)cc1 139077577 JLBKGELSXBXBSY-MLGOLLRUSA-N 438.488 2.029 0 40 IEAB COc1cc(N2C[C@@H](C(=O)NC[C@H]3CCCN4CCCC[C@H]34)CC2=O)cc(OC)c1OC 225409929 WBIHFVSNQDFSIS-ZIFCJYIRSA-N 445.560 2.446 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)N3CC[C@H](c4ccccc4)S(=O)(=O)CC3)CC2=O)c1 390831705 UHEYSVDLVDCUSE-GHTZIAJQSA-N 442.537 2.437 0 40 IEAB CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)CC1 408700978 PMATZYHRXHXQPM-LJQANCHMSA-N 437.606 2.383 0 40 IEAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1=O 575614835 KADYXXKKSQKUNA-CYBMUJFWSA-N 447.458 2.164 0 40 IEAB Cc1noc(C)c1CN1C[C@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585104223 LAWZVSJPTTVRGQ-SFHVURJKSA-N 425.411 2.356 0 40 IEAB Cn1ccnc1S(=O)(=O)N1CCC(COc2ccc3nc(C(C)(C)C)cn3n2)CC1 1888904402 ROSIMIOSTZEWNP-UHFFFAOYSA-N 432.550 2.240 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@@H]4C3)ncn2)n1 2086896737 YMSTYXHFMZYERI-IRXDYDNUSA-N 442.520 2.175 0 40 IEAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C[C@H](O)c2ccccc2)cc1 720430 OHXRBZNWPNVGFW-IBGZPJMESA-N 445.479 2.096 0 40 IEAB biogenic COC(=O)c1cc(NC(C)=O)ccc1S(=O)(=O)c1ccc(NC(C)=O)cc1C(=O)OC 1726038 GATXOPXLLIMJGS-UHFFFAOYSA-N 448.453 2.009 0 40 IEAB O=C(CSc1nnc(O)[nH]c1=O)Nc1ccc(Br)cc1Br 3261361 ZMWXVQNXAOMEIK-UHFFFAOYSA-N 436.085 2.126 0 40 IEAB CCOCCn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4OC)c(C)cn23)n(C)c1=O 6089659 XEHLFLLTHOEKAT-UHFFFAOYSA-N 431.880 2.146 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1 9476588 LBCAFIIUSYHPCP-OAHLLOKOSA-N 445.497 2.413 0 40 IEAB COc1ccc(CNC(=O)CC[C@@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 9482593 GLIPGAKZYAWJMU-KRWDZBQOSA-N 425.441 2.145 0 40 IEAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC3CCCCC3)[nH]c2=O)cc1 9518114 IINDNFSACAYBJJ-UHFFFAOYSA-N 431.518 2.154 0 40 IEAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)c1 9787599 FONRYOHPEOMFLD-OAHLLOKOSA-N 429.498 2.384 0 40 IEAB COc1cccc(NS(=O)(=O)c2cc(N3CCCCS3(=O)=O)ccc2OC)c1 11906645 ILJVDANMCRCONX-UHFFFAOYSA-N 426.516 2.435 0 40 IEAB CCn1cc([C@H]2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)N(C)S(=O)(=O)N2)c(C)n1 12130327 LVWYOPZLHJYDGN-HZPDHXFCSA-N 445.467 2.449 0 40 IEAB NC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12924703 TWFZMIVPCOCORK-UHFFFAOYSA-N 427.526 2.314 0 40 IEAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)on1 13226297 UXGIYKQDOSLYDD-UHFFFAOYSA-N 446.467 2.331 0 40 IEAB Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1C 14080431 FLPJVBFSLPVHPW-SFHVURJKSA-N 445.541 2.129 0 40 IEAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1 14242577 JTPUQNZCLPGHBP-QKFKETGDSA-N 438.484 2.064 0 40 IEAB COc1ccc([C@@H](NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c2nccn2C)cc1 16476013 HPVKMZBIDALSPB-HXUWFJFHSA-N 440.525 2.270 0 40 IEAB COc1ccc(CCn2nnnc2CN2CCN(c3ccc(F)cc3)CC2)cc1OC 19560707 VJCOENLPEXJOFT-UHFFFAOYSA-N 426.496 2.394 0 40 IEAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4cnccn4)nc32)c1 19698682 ZGTDIGGMAKDTRJ-UHFFFAOYSA-N 432.484 2.335 0 40 IEAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2c[nH]cn2)CC1 19699325 ZREUWDKKTPLMLO-UHFFFAOYSA-N 436.560 2.003 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3ccccc3OC)CC1)C2=O 19699364 HUYNTUQCBZXDNK-UHFFFAOYSA-N 428.533 2.096 0 40 IEAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc2c1CCCN2CC1CC1 19706900 REIYEYDBBZJUIH-QGZVFWFLSA-N 430.578 2.249 0 40 IEAB CNC(=O)c1cnc(C2CCN(C(=O)c3ccc4c(c3)NC(=O)C(C)(C)O4)CC2)nc1C 19766469 AOMUXTHKRAWSPJ-UHFFFAOYSA-N 437.500 2.274 0 40 IEAB CN1C[C@@H](NS(=O)(=O)Cc2ccccc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 20464436 FDTAEFYYDXEAFY-IRXDYDNUSA-N 442.497 2.330 0 40 IEAB biogenic,in-vitro CCOc1nn(CC)cc1C(=O)Nc1nnc(SCC(=O)Nc2cc(C)on2)s1 21011506 ZJWLKCPIDFGGPS-UHFFFAOYSA-N 437.507 2.433 0 40 IEAB COc1ccc([C@@H](CNC(=O)CCNC(=O)OC(C)(C)C)N2CCOCC2)cc1OC 21199206 NAMHJRRKWQHPID-QGZVFWFLSA-N 437.537 2.108 0 40 IEAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22916005 JKOALPRKSBZNEH-DENIHFKCSA-N 441.597 2.085 0 40 IEAB COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1 24771313 IQRJBTGKNUAMRF-UHFFFAOYSA-N 437.743 2.354 0 40 IEAB CCOC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)C1 30809579 PIYHXLPVYFNXBT-SFHVURJKSA-N 437.562 2.005 0 40 IEAB Cn1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)c1 32771480 RZJJLISTYAMPCS-UHFFFAOYSA-N 438.358 2.027 0 40 IEAB COc1cc(OC)c(C2=CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c(OC)c1 32865578 WTJKQDNXEXWXLY-UHFFFAOYSA-N 445.497 2.360 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)O2 38851298 QWXLDLYQCBACIK-FQEVSTJZSA-N 433.505 2.010 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)cc1 39978309 QRJZBLJDJTWQCK-GDBMZVCRSA-N 438.546 2.279 0 40 IEAB CCN(CC)C(=O)CN1CCCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C)CC1 40118810 XIWMZKYWUSFEHH-UHFFFAOYSA-N 428.581 2.416 0 40 IEAB COC(=O)CNC(=O)[C@H]1CCCN(c2nc3c(-c4ccc(C)cc4)csc3c(=O)[nH]2)C1 49421304 XLQYHEBGPDRLSP-HNNXBMFYSA-N 440.525 2.466 0 40 IEAB CC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 57122071 FPOHSUODRJUOCF-UHFFFAOYSA-N 431.496 2.215 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C(=O)OC(C)C)c(Br)c1 72307397 WVBQRAOCFUVOQM-LLVKDONJSA-N 436.324 2.492 0 40 IEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c1 79492079 ZAGMAYLZQQSQJV-UHFFFAOYSA-N 440.481 2.475 0 40 IEAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2cccc(F)c2)CC3)C1=O 96144440 MOKAUUGENJQXLT-HSZRJFAPSA-N 430.524 2.284 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223077836 FIBBDLJHPFHAPY-FQEVSTJZSA-N 449.548 2.454 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(C(=O)CSc2ccc(F)cc2)CC1 252500110 SNEMJYXZLDIUSC-UHFFFAOYSA-N 426.539 2.181 0 40 IEAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cccc(OCCN2CCCC2)c1 257327522 XBRCTRNEFKOPDL-XMMPIXPASA-N 439.560 2.055 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccccc2)S3(=O)=O)cc1 260840441 VBGWBJZNPUMBCH-BTYIYWSLSA-N 430.482 2.176 0 40 IEAB COc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408588112 CKFSNIKNZATWPL-RUDMXATFSA-N 434.040 2.198 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)c(OC)c1 408662042 PDYNVYADCDVDKA-INIZCTEOSA-N 440.452 2.441 0 40 IEAB CCCCOC(=O)Cn1c(=O)c2c(nc3n2CCCCN3c2ccc(C)cc2)n(C)c1=O 8468905 QARIXEHVSRPEDA-UHFFFAOYSA-N 439.516 2.480 0 40 IEAB aggregator COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2C)cc1C 8754924 YEKNPPMUPZCOQB-CYBMUJFWSA-N 441.575 2.475 0 40 IEAB CC(C)Cn1c(N)c(C(=O)CSc2nnc(Nc3ccccc3)s2)c(=O)n(C)c1=O 9130818 YRKFUNBFUSHKDE-UHFFFAOYSA-N 446.558 2.355 0 40 IEAB Cc1nnc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)s1 9263940 ORDZHROMQZXOMU-SECBINFHSA-N 435.510 2.336 0 40 IEAB Cc1sc2nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)n3ncnc3c2c1C 9418691 ULTJKSQLXIAQRS-UHFFFAOYSA-N 428.543 2.467 0 40 IEAB COc1ccc(CC(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCOCC1 9632098 ZEAOYFUSIFVMTI-UHFFFAOYSA-N 444.431 2.315 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)cc1F 12258535 WDGSPRRUSKAYRN-UHFFFAOYSA-N 445.476 2.355 0 40 IEAB CC(C)C(=O)N1CCN([C@@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)CC1 15499053 VXISCFPKQAWXTA-ZDUSSCGKSA-N 426.439 2.179 0 40 IEAB COc1ccc(NC(=S)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 15917606 XCGHJJBZAHJYRG-HNNXBMFYSA-N 428.514 2.070 0 40 IEAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1 18227680 TULCPZWXCWEUTO-GOSISDBHSA-N 434.949 2.237 0 40 IEAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)on1 19122036 MUEQHBCXWYMNBY-IRXDYDNUSA-N 438.532 2.225 0 40 IEAB COc1cc(C(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc(OC)c1OC 19549491 WVCSTNIVHVMJRR-HNNXBMFYSA-N 436.468 2.487 0 40 IEAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19579251 KLFOUARRPORDJA-RUZDIDTESA-N 445.523 2.385 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)Oc2ccccc21 20048260 ODVZHPIZXBWQKF-LJQANCHMSA-N 435.933 2.216 0 40 IEAB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 20613991 XOLAXRCLLNCPQR-LJQANCHMSA-N 425.485 2.160 0 40 IEAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCN(Cc2ccsc2)CC1 22227906 FNCDZPBRTDDEQX-UHFFFAOYSA-N 448.552 2.447 0 40 IEAB CCCn1c(CCC(=O)NCC(C)(C)N2CCCCC2)nc2cc(S(N)(=O)=O)ccc21 22622608 CSSFXEOYXBNEED-UHFFFAOYSA-N 449.621 2.407 0 40 IEAB COCCNC(=O)CN1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 22789424 WSDATVRWGRBMGM-DEOSSOPVSA-N 434.540 2.472 0 40 IEAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 27538874 FFOCXXRQYFKYBM-VBKZILBWSA-N 431.439 2.276 0 40 IEAB CC[C@@]1(C)Cc2nc3sc4c(=O)n(CC(=O)N5CCOCC5)cnc4c3cc2CO1 32093200 BZONANAIUNPBBV-NRFANRHFSA-N 428.514 2.106 0 40 IEAB CN(C)C[C@H](CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)[C@@H](O)c1ccccc1 40121724 DOOSHEHHYYYXPI-UNMCSNQZSA-N 440.544 2.192 0 40 IEAB O=C(CCn1ccc2ccccc21)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 59891778 KCWPPIOXJJHQBP-UHFFFAOYSA-N 437.525 2.441 0 40 IEAB CCN(CC)CCN(CC)C(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326573 MDJFBUDALUJUJT-KOSHJBKYSA-N 443.592 2.130 0 40 IEAB CCOC(=O)[C@@H]1CN(Cc2ccc(NC(C)=O)cc2)C[C@]12COc1ccccc1C(=O)N2 72334310 ZLBPSHDPIXKVME-RDPSFJRHSA-N 437.496 2.201 0 40 IEAB NC(=O)[C@@H]1CCCN1C(=O)CCC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1 72392011 JLWZQEJNLXMAOF-INIZCTEOSA-N 430.505 2.090 0 40 IEAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219662751 HHXJWUFNNJKWHO-CQSZACIVSA-N 429.498 2.388 0 40 IEAB CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(F)c1 225101205 MEYSOVXSLDZDMY-UHFFFAOYSA-N 425.434 2.379 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)cc1C 226084825 SKVHPJVKZJFTPW-QGZVFWFLSA-N 445.541 2.071 0 40 IEAB COC[C@@H](C)NC(=O)CN1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 257257272 KOVQZPCOVFSXSA-SJORKVTESA-N 426.521 2.332 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408670933 XSSAVLYPMCNUBH-UVPINQTDSA-N 428.485 2.233 0 40 IEAB O=C(CS(=O)(=O)c1cccc(Br)c1)NC[C@H](n1cccn1)C(F)(F)F 1557656809 PZZUTZYOVJXPFL-LBPRGKRZSA-N 440.241 2.339 0 40 IEAB CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCc1cccc(C2CCNCC2)n1)C(C)C)C(=O)O 2037880035 NNSCVVXGYIWHSI-UNMCSNQZSA-N 446.592 2.238 0 40 IEAB COc1cccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 3557211 DSMJAPKYLQZXRW-VMPITWQZSA-N 444.509 2.013 0 40 IEAB Cc1c(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cccc1-n1cnnn1 8705002 SYXBWNGVBVEKIU-ZSEKCTLFSA-N 425.493 2.046 0 40 IEAB O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)Nc1ccc(F)c(Cl)c1 9001266 LAHJWMQGPIYLFZ-UHFFFAOYSA-N 439.834 2.433 0 40 IEAB COc1cc(NS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc(OC)c1OC 9560752 MJZSOTXLTQQNQA-UHFFFAOYSA-N 425.488 2.199 0 40 IEAB COc1cccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CC(C)=O)c(=O)n(C)c4nc23)c1 9713311 BMZBCNXFOCOIKW-UHFFFAOYSA-N 443.463 2.403 0 40 IEAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCN1CCC(Cc2ccccc2)CC1 10233884 KFXBYXYAMRDHKU-UHFFFAOYSA-N 448.571 2.258 0 40 IEAB C[C@@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 11194128 NNZXIUJWBKFODD-NAZIUFLLSA-N 443.275 2.273 0 40 IEAB O=C1CSc2ccc(C(=O)N3CCC(NS(=O)(=O)c4cccs4)CC3)cc2N1 11449698 YDYPKLRLJJWWMX-UHFFFAOYSA-N 437.568 2.375 0 40 IEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1OC 12653831 KECCAJHIMFTSHV-UHFFFAOYSA-N 432.458 2.191 0 40 IEAB C[C@@H](NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc2c(c1)OCCO2 12689508 YIIMMPCXEGNCOG-CQSZACIVSA-N 449.442 2.370 0 40 IEAB O=C(CSc1nnc(NC2CC2)s1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 13112855 WWRGGMKEUKYVBT-OAHLLOKOSA-N 438.600 2.420 0 40 IEAB Cc1nnc(NC(=O)CSc2nnc3ccc(-c4ccc5c(c4)OCO5)nn23)s1 15881715 GAWCHBQFBIYMSA-UHFFFAOYSA-N 427.471 2.411 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)cc2)C[C@@H](C)O1 15916689 QDJZIMYNDRVJEZ-IYBDPMFKSA-N 446.525 2.437 0 40 IEAB COCc1ccc(OC)c(CN2CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC2)c1 19594334 FPXZCLOKDIKDFW-UHFFFAOYSA-N 428.533 2.417 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(C)c3)C1)C2=O 19699930 AUVJTUFIAQRDGC-HXUWFJFHSA-N 426.561 2.325 0 40 IEAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(CC)CC3)cc2c1 19973325 LWSCPRUAJVWJJN-HXUWFJFHSA-N 439.564 2.395 0 40 IEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCOCC2)cc1 20485900 BGUKXVXZTWDANO-UHFFFAOYSA-N 447.557 2.466 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 20815524 CIXWRCRBVJMHKB-UHFFFAOYSA-N 446.934 2.170 0 40 IEAB Cc1ccc(N2C[C@H](NC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2=O)cc1 22664434 XVMPEUNMIWOKOY-LJQANCHMSA-N 436.512 2.356 0 40 IEAB Cn1cnc2c1c(=O)n(CCCSCc1nc(-c3cccc(Cl)c3)no1)c(=O)n2C 40067443 SRMGNCMFFOBJAC-UHFFFAOYSA-N 446.920 2.461 0 40 IEAB COc1ccc(-c2noc(CCC(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)n2)cc1 40110970 XUMSYZVPIGOHTO-JOCHJYFZSA-N 435.440 2.371 0 40 IEAB CCCNC(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 40157604 ARXHWVSKHZZNLK-UHFFFAOYSA-N 447.557 2.162 0 40 IEAB O=C(COc1ccc(F)cc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382485 VBKPBVCWRJHZFS-MOPGFXCFSA-N 426.444 2.408 0 40 IEAB Cc1[nH]c(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)OC(C)C 48364221 MAXFPPQLGVBSNI-HZPDHXFCSA-N 426.535 2.005 0 40 IEAB C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)Nc1cccc(N2CCCC2=O)c1 58293389 SWAKGAQEUCBPJY-OAHLLOKOSA-N 430.530 2.092 0 40 IEAB CS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(C(=O)C[C@@H]3CCCCO3)CC2)o1 72344920 RKNBSMPRJCOROK-IRXDYDNUSA-N 440.566 2.221 0 40 IEAB Cc1nc2c(c(C)c1CNC(=O)[C@@H]1C[C@H]3CCCC[C@@H]3N1c1ncccn1)c(=O)[nH]n2C 96012411 FHZXURDSISUGQD-NJAFHUGGSA-N 435.532 2.122 0 40 IEAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1 96231514 AOLZZOLKOHKBCJ-SFHVURJKSA-N 430.549 2.321 0 40 IEAB Cn1c(N2CCN(C(=O)[C@@H]3CC(=O)N(c4n[nH]c5ccccc45)C3)CC2)nc2ccccc21 96343934 KWIFKVKLZSNRRT-MRXNPFEDSA-N 443.511 2.151 0 40 IEAB Cc1ccc([C@@H](C)NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)cc1 98213167 YNUOIUIURGSEDD-GOSISDBHSA-N 433.512 2.195 0 40 IEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1 223850067 QQORHUKAMZLCQT-RMKNXTFCSA-N 435.575 2.152 0 40 IEAB CC(=O)Nc1nnc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 224133613 DSCMQJQMHNKARK-UHFFFAOYSA-N 435.453 2.026 0 40 IEAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(CN3CCOCC3)cc2)c1 224570936 OQPUBPQIYGTCRX-UHFFFAOYSA-N 437.949 2.474 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(-c3cccs3)on2)CC1 225599853 LEWNJYWJWQXBPW-UHFFFAOYSA-N 435.531 2.280 0 40 IEAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCC(=O)N1CCCCC1)NC2=O 247934345 GPJNWSOXGIIADN-LYZSKQBMSA-N 441.528 2.079 0 40 IEAB CCn1nc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)cc1C 257201184 AGRJENQJFUPXLN-UGKGYDQZSA-N 440.544 2.370 0 40 IEAB Cc1nc2ccc(NC(=O)C[C@@H]3CCCN(C(=O)CCN4C(=O)CCCC4=O)C3)cc2[nH]1 257219677 DHQLRCHNOZQLCM-INIZCTEOSA-N 439.516 2.368 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 257286509 PLWFOIIEDNVIBA-FIEAQMJYSA-N 427.501 2.242 0 40 IEAB CS(=O)(=O)c1ccc(CN2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)cc1 585103552 DIPJPXHPMBVHLB-HSZRJFAPSA-N 428.554 2.341 0 40 IEAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccc(Oc2ncccn2)c1 585261753 GKOFANALOQCNCY-OAQYLSRUSA-N 431.496 2.342 0 40 IEAB COc1cccc(OCC(=O)N2CCO[C@@](COc3ccc(Cl)cc3)(CC(N)=O)C2)c1 585287138 UILQAYNRKLQCAO-QFIPXVFZSA-N 448.903 2.279 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccc(C(F)(F)F)nc5)C[C@H]4C3)nn12 1888913314 LHPURQDSPPCKTJ-OKILXGFUSA-N 431.422 2.309 0 40 IEAB O=C(NCc1ccc(F)cc1)[C@H]1C[C@]2(CO1)CN(c1cc(C(F)(F)F)ncn1)CCO2 2056226678 XRXYZUHUAKGQDK-DNVCBOLYSA-N 440.397 2.315 0 40 IEAB COC(=O)[C@](NC(=O)C(F)(F)F)(c1c(C)n(C)n(-c2ccccc2)c1=O)C(F)(F)F 3103063 IOCQQAYXCBYNIS-OAHLLOKOSA-N 439.312 2.094 0 40 IEAB Cn1c(=O)n(CC(=O)OCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccccc1 9192839 RUKLKXSYRKSZJL-UHFFFAOYSA-N 445.479 2.182 0 40 IEAB O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)N1CCN(c2ccccc2F)CC1 9727211 KNGXEZASKFWAJZ-UHFFFAOYSA-N 432.459 2.046 0 40 IEAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 11212215 QEOHPQXLMYHGLI-SCLBCKFNSA-N 435.546 2.297 0 40 IEAB O=C(c1cc(F)ccc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13002499 ZNKCYSPZRQCCEI-UHFFFAOYSA-N 438.452 2.273 0 40 IEAB CC(C)Cn1c(N)c(C(=O)CN[C@@H](c2ccccc2)c2cccs2)c(=O)n(C)c1=O 14237904 WALSEANRUVWPFV-IBGZPJMESA-N 426.542 2.409 0 40 IEAB CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)NC(=O)N[C@@H]1c1ccccc1OC 15951958 WDFLFHIPLIXQGZ-LJQANCHMSA-N 430.482 2.340 0 40 IEAB Cc1ccc(Cl)c2sc(N3CCN(C(=O)[C@H]4CCCN4S(C)(=O)=O)CC3)nc12 16847913 YPSDVFIZZSGKJA-CQSZACIVSA-N 442.994 2.331 0 40 IEAB CCN(C(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O)[C@@H]1CCS(=O)(=O)C1 17130480 DNNMLNCYEUVTGQ-MRXNPFEDSA-N 445.566 2.469 0 40 IEAB CNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2cnc(N(C)C)nc2)CCO1 19696799 QWPFARQNLQQGBP-HNNXBMFYSA-N 425.514 2.331 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O 19699715 JEZPQVMTAZZALF-HXUWFJFHSA-N 444.551 2.402 0 40 IEAB Cn1nccc1CN1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19705471 LBUWOERGTPGHFY-KRWDZBQOSA-N 427.530 2.076 0 40 IEAB Cc1nc([C@@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19740411 OHORSNDDDPIBNP-SFHVURJKSA-N 447.536 2.347 0 40 IEAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl)C(=O)OC 20715947 XZFWKSYXCBREDM-YJBOKZPZSA-N 434.880 2.215 0 40 IEAB C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)Nc1sccc1C(N)=O 21605244 BJRJADXZTNJJHS-NSHDSACASA-N 432.527 2.059 0 40 IEAB CC(C)c1noc(-c2ccc(OCC(=O)N3CCN(C4CCN(C)CC4)CC3)cc2)n1 32579032 HSVCRDRKOGNKMS-UHFFFAOYSA-N 427.549 2.477 0 40 IEAB O=C(CN1CCOCC1)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 40030885 IZBGXBSCCRDRNS-UHFFFAOYSA-N 425.554 2.130 0 40 IEAB CCCCNC(=O)Cc1noc(CN2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)n1 48288904 LRNZGKXOOSCDBM-IBGZPJMESA-N 425.533 2.078 0 40 IEAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCc2ccnc(OCc3ccccc3)c2)C1 48366532 AMRMMZBOKUHQRJ-IBGZPJMESA-N 433.530 2.270 0 40 IEAB O=C(NCCc1ccccc1)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 52518740 ZRSRNGTZYOXWMU-JOCHJYFZSA-N 425.554 2.168 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2ccc(-n3ccnc3)nn2)C1 62022869 VSUSRPSNJBVRNY-SFHVURJKSA-N 433.516 2.354 0 40 IEAB CCCCN(C(=O)CN1CC[C@@H]1c1ccccc1F)c1c(N)n(CCC)c(=O)[nH]c1=O 72308975 MRTKZFGXIMCSRG-QGZVFWFLSA-N 431.512 2.248 0 40 IEAB CCC[C@H]1CN(CC(=O)N(C)c2nccs2)CCN1CC(=O)N(C)c1nccs1 79058938 VMUBOXLVEJBPMQ-HNNXBMFYSA-N 436.607 2.012 0 40 IEAB CC(C)[C@@H](C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N1CCCS1(=O)=O 95972239 SFLSXWJFJVZJDE-SFHVURJKSA-N 447.523 2.410 0 40 IEAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCCN4C[C@@H]4CCOC4)nn3c(O)c2C1 100243235 WQGFREUIWHJINP-YWZLYKJASA-N 425.533 2.293 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2)cc1C 219141626 OFDCYCKZKCFBEO-UHFFFAOYSA-N 431.558 2.409 0 40 IEAB COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1 225191006 KMRBZEDUXPHBEA-CYBMUJFWSA-N 448.497 2.405 0 40 IEAB O=S1(=O)CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC[C@H]1c1cccs1 390831795 UZDAIYXRIOWQBQ-SFHVURJKSA-N 437.568 2.484 0 40 IEAB COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OC)c(Br)c2)C1=O 408548809 LNOYPHXTEKPWQI-BJMVGYQFSA-N 448.067 2.286 0 40 IEAB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 408655714 LVSZCTYGVBSZBM-HNNXBMFYSA-N 426.425 2.017 0 40 IEAB C[C@H]1CN(CC(=O)N2CCN(C)C(=O)[C@H]2Cc2ccc(-c3cccnc3)cc2)C[C@@H](C)O1 409412831 PRTBAUBOHHBVDF-SELNLUPBSA-N 436.556 2.070 0 40 IEAB C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)c3ccccc3)CCN21 514288849 FZBWZEWVGGTSKT-REWPJTCUSA-N 427.932 2.373 0 40 IEAB biogenic,in-vitro COc1ccc(NC(=O)N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cc(-c4ccccc4)cn3)[C@H]2O)cc1 1534640201 SKYSNCUKMLJVOE-CSEOROSGSA-N 436.468 2.406 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(COc2cc3c(nn2)CCC3)CC1 1775967504 UTYBETDUHUEUJP-UHFFFAOYSA-N 431.514 2.216 0 40 IEAB CCOC(=O)[C@@](NC(=O)N(C)C)(Nc1sc2c(c1C(N)=O)CCCC2)C(F)(F)F 2280986 RKBPRFMTLYZJPT-INIZCTEOSA-N 436.456 2.231 0 40 IEAB COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)CSC)c(=O)n2C3)cc1 4260277 UHVFXYJIYWQVMO-GOEBONIOSA-N 427.526 2.418 0 40 IEAB biogenic,in-vitro NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1 9053856 FXPQTUXEKCNVAD-UHFFFAOYSA-N 436.555 2.180 0 40 IEAB COc1ccc2c(CC(=O)OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)coc2c1 9128060 GCPVMUYLEKPMPQ-INIZCTEOSA-N 437.514 2.199 0 40 IEAB CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9569969 HNGVTUGGTPKITG-UHFFFAOYSA-N 435.521 2.106 0 40 IEAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ncccc32)c1 9660558 IUNYTBLSLVCSNZ-UHFFFAOYSA-N 446.463 2.262 0 40 IEAB COc1ccc(Cl)cc1N(CC(=O)NCCCN1CCC(C)CC1)S(C)(=O)=O 10540573 XRMAOFDJYMPOAR-UHFFFAOYSA-N 431.986 2.353 0 40 IEAB Cc1nc(C)n([C@H](C)CC(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)n1 12085518 MQUGHINCRBZECW-IQMFZBJNSA-N 438.532 2.179 0 40 IEAB CC(=O)c1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12881473 NOMSLYOLTJXNST-UHFFFAOYSA-N 441.553 2.323 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(OC(F)(F)F)cc1 12920779 DNESXYMEVGMLER-UHFFFAOYSA-N 445.419 2.170 0 40 IEAB CCC(=O)N(c1nnc(SCC(=O)N2CCN(c3ccccn3)CC2)s1)C1CC1 13112249 VXHBXFPUQSRXNX-UHFFFAOYSA-N 432.575 2.279 0 40 IEAB COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 13506612 WVLWTLRNTWTHKO-NRFANRHFSA-N 445.491 2.424 0 40 IEAB COc1ccc(-c2cc(NC(=O)c3snnc3C)n([C@H]3CCS(=O)(=O)C3)n2)cc1 13692774 XFTPLWBCUOAABM-ZDUSSCGKSA-N 433.515 2.331 0 40 IEAB CC[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccc(F)cc1)S(C)(=O)=O 13715838 OUQCITKFFOUNEL-MRXNPFEDSA-N 434.493 2.199 0 40 IEAB CSc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 14250821 DIWKUEYWAWOXQA-DZGCQCFKSA-N 441.509 2.431 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3Cc4ccccc4S3)CC2)cc1 14414273 IQQNEIHIOKKAMR-FQEVSTJZSA-N 430.551 2.439 0 40 IEAB O=C(CSc1nn2c(=O)c3c(nc2s1)CCN(Cc1ccccc1)C3)N1CCCC1 15414220 VYFCJEOQGKCCFX-UHFFFAOYSA-N 441.582 2.424 0 40 IEAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccccc1C(F)(F)F)c(=O)n2C 15880397 HUABQXFIZTZYTR-UHFFFAOYSA-N 436.390 2.460 0 40 IEAB O=C(c1cnccn1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349315 PFGXFWHSJQUNPB-FQEVSTJZSA-N 434.475 2.235 0 40 IEAB CC(C)OCC(=O)N1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19762329 UCSMSWIKBXLQFK-OAQYLSRUSA-N 427.501 2.032 0 40 IEAB CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)Cn2c(C)cc(C)nc2=O)nc1C 19765617 JXYDRHQMGYURFN-IBGZPJMESA-N 440.548 2.194 0 40 IEAB CN(C)c1cc2c(cc1NC(=O)c1ccc(Br)cc1)n(C)c(=O)c(=O)n2C 20428047 MIZROULNSSWHSV-UHFFFAOYSA-N 431.290 2.318 0 40 IEAB CCOc1ccc(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OC 20491176 QAHHLBHXAASRPG-NRFANRHFSA-N 448.541 2.370 0 40 IEAB CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Cc1ccc(F)cc1F 22964770 AITMLQRYNFPEMQ-UHFFFAOYSA-N 441.475 2.069 0 40 IEAB COc1ccc(Cc2nn3c(=O)/c(=C\C4=Cc5ccccc5OC4)sc3nc2=O)cc1 27021426 UFYFUZKVJHVTIY-UDWIEESQSA-N 431.473 2.086 0 40 IEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 29796955 CEDZPLSGARQGIA-KRWDZBQOSA-N 441.509 2.250 0 40 IEAB COc1ccc(CCNC(=O)CCn2cnc3cc(OC)c(OC)cc3c2=O)cc1OC 32124361 XFTRAFFJNSXZQD-UHFFFAOYSA-N 441.484 2.180 0 40 IEAB biogenic O=C(CN1C(=O)S/C(=C/c2cc(Br)ccc2O)C1=O)N1CCOCC1 33436503 FTIVTCAKTSTFCX-MDWZMJQESA-N 427.276 2.050 0 40 IEAB Cc1nc(C)c(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)s1 49029301 VJSXQEAEROBCDA-UHFFFAOYSA-N 449.514 2.083 0 40 IEAB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCN(C[C@H](O)c2cccs2)CC1 49031446 NIJFUDLVBQATGP-KRWDZBQOSA-N 426.498 2.358 0 40 IEAB COc1ccc(F)cc1CN1CCN(S(=O)(=O)c2ccc(CC(=O)O)s2)CC1 49592573 MYGGDWXVURJXBW-UHFFFAOYSA-N 428.507 2.029 0 40 IEAB COc1ccccc1CCN1CC(=O)N(c2cc(C)cc(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 57747759 XBALHLKJCIAOKZ-LEWJYISDSA-N 428.554 2.369 0 40 IEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)NC2CCCC2)c1 71772604 FXKQGSUCWNCUAE-HNNXBMFYSA-N 432.546 2.018 0 40 IEAB Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc(-c4nc(C5CC5)n[nH]4)cc3)CC2)cn1 72312763 RJMUBFPPKGSMLM-UHFFFAOYSA-N 433.516 2.365 0 40 IEAB Cc1ccc(N2C(=O)C[C@@H](N3CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)C2=O)cc1 102988013 VQWPIFBWOWBXCM-LJQANCHMSA-N 447.944 2.287 0 40 IEAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1ccncn1 257243700 IIELTVCPISHPAC-LWSSLDFYSA-N 448.498 2.353 0 40 IEAB C[C@@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408665970 RWAYQXMMAYNDSU-UKTVDESPSA-N 436.386 2.383 0 40 IEAB Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(c3cccc(Br)c3)CC2)c(=O)c1 552779207 NHYOFEJSPUDVSD-HXUWFJFHSA-N 434.334 2.019 0 40 IEAB Cc1nc2c(cc1C(=O)Nc1ccccc1-c1cn3c(n1)CCCC3)c(=O)n(C)c(=O)n2C 575621529 XYDUKBUUZQXEHM-UHFFFAOYSA-N 444.495 2.393 0 40 IEAB CS(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc(O)c3c(n2)CCCC3)c1 1528618168 ZUBVZOZCLYIGFW-UHFFFAOYSA-N 426.292 2.479 0 40 IEAB Brc1ccc(CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1889139055 FPVFGTMWNHANSQ-UHFFFAOYSA-N 432.366 2.440 0 40 IEAB O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1ccccn1)C2 2037818704 PTSKHHMNMLMKKM-RUZDIDTESA-N 448.523 2.189 0 40 IEAB O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12 597385 BMHZAHGTGIZZCT-LJQANCHMSA-N 449.207 2.194 0 40 IEAB in-man CN(Cc1ccccc1)Cc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCOCC2)no1 8623533 XDINFZVHTBKDEJ-SFTDATJTSA-N 426.561 2.324 0 40 IEAB biogenic,in-vitro COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2ccc(C)s2)c(=O)[nH]c1=O 9487133 LLFFUCJFYANYBX-ZHACJKMWSA-N 440.525 2.382 0 40 IEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)Nc1ccc(OC)cc12 9487363 QTVNMWQPISHPAW-HSZRJFAPSA-N 434.404 2.166 0 40 IEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9631056 LBYHDQXUUIGKPI-UHFFFAOYSA-N 427.482 2.096 0 40 IEAB C[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)CCC2 9789351 FZQPKDQTOSSTDG-UONOGXRCSA-N 434.587 2.400 0 40 IEAB COc1ccc(CCC(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 11796121 JLSBQIZRKTXEBE-UHFFFAOYSA-N 445.585 2.286 0 40 IEAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1cccn1C 12567862 IFYNUWLKWRCIKD-LAUBAEHRSA-N 446.573 2.210 0 40 IEAB COc1ccc(OCCNC(=O)CCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1 12728499 WIOFKUPDWBLJHW-UHFFFAOYSA-N 433.468 2.245 0 40 IEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cc(=O)[nH]c3ccccc23)c(=O)[nH]c1=O 14623630 BGHVMUNNTOOAMV-UHFFFAOYSA-N 439.516 2.453 0 40 IEAB O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 16044382 GWZVSHJAPHNIHJ-UHFFFAOYSA-N 449.838 2.194 0 40 IEAB CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@@H]2c2cc3nc(C)cc(O)n3n2)c1 19116695 RNKXKXVYBXJGIZ-QGZVFWFLSA-N 447.492 2.158 0 40 IEAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337538 NYHNXQZDKLWEBU-KRWDZBQOSA-N 435.509 2.402 0 40 IEAB CCC[C@]1(C(=O)OCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 19501963 PWHHLLSJOAWOAM-FXKZBUDASA-N 448.516 2.080 0 40 IEAB Cc1nc(C)c(C(=O)N2CCO[C@H](c3c(C(=O)N(C)CCO)sc4ncccc34)C2)o1 19702888 PQJMIQBNBVCOMO-HNNXBMFYSA-N 444.513 2.179 0 40 IEAB CCn1nc(C)c(CN2CCO[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)c1C 19703210 GNUXHJRBRUUUTO-SFHVURJKSA-N 443.573 2.425 0 40 IEAB COc1ccc(OCC(=O)N2CCC[C@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 19755743 JVYVGQQJGWRAKR-FQEVSTJZSA-N 440.500 2.009 0 40 IEAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)ncc1C(=O)N1CCCCC1 19763323 GOLNKPHFDXSAEK-QGZVFWFLSA-N 446.577 2.319 0 40 IEAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1nc(CN3CCOCC3)cs1)C2=O 22701739 TZIAYPNSZDKJEG-UHFFFAOYSA-N 428.514 2.299 0 40 IEAB CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccc(C)cc2)c(=O)n1N 27546168 XDPBGLITTPFDLW-UHFFFAOYSA-N 425.514 2.381 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(N3CCOCC3)cn2)C(C)C)cc1 29208765 GFUAOBSKLGMRQH-FQEVSTJZSA-N 432.546 2.168 0 40 IEAB COc1cccc(CCN2CC(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 55408501 SQIOGQBSNAYZOK-VQTJNVASSA-N 434.945 2.406 0 40 IEAB COc1cc(CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)cc(OC)c1OC 57731568 NDBOTJHBPDYAQT-UHFFFAOYSA-N 425.485 2.429 0 40 IEAB O=C(NC1CC1)c1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 60034587 KTBYEVMZJGNRHI-NRFANRHFSA-N 441.553 2.438 0 40 IEAB CCOC(=O)[C@@H]1CN(Cc2ccc(OC)c(OC)c2)C[C@]12COc1ccccc1C(=O)N2 72334294 UAGKTAPEQHCEQT-UUOWRZLLSA-N 440.496 2.260 0 40 IEAB Cn1nc([C@@H]2CCCN(S(=O)(=O)Cc3cccc(F)c3)C2)n(-c2ccccc2)c1=O 77100628 BUQGNHMIOXVZTO-QGZVFWFLSA-N 430.505 2.420 0 40 IEAB Cc1noc(C)c1CSc1ccccc1C(=O)N(C)C[C@H](O)CN1CCN(C)CC1 95406739 YEBUPBOICGKWBW-SFHVURJKSA-N 432.590 2.264 0 40 IEAB CS(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)NC3CC3)c2)Cc2ccccc21 95450865 HEPRZELFVXHCOR-UHFFFAOYSA-N 428.514 2.393 0 40 IEAB O=C1Nc2cc(Br)ccc2[C@H]1CNc1cnn(C[C@H](O)CN2CCCC2)c1 95940807 LIJDGOMOXLLJJO-NVXWUHKLSA-N 434.338 2.250 0 40 IEAB CN(C)C(=O)CN1[C@H]2CCN(Cc3ccccc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145840 UTNUJMJICMRMDQ-PMACEKPBSA-N 443.569 2.191 0 40 IEAB COc1ccc(Cl)cc1NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 105695299 RDTBLYSMLCUTFU-NRFANRHFSA-N 443.891 2.246 0 40 IEAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@H]1CCN(c2ccccc2)C1 106755226 CCDNRLSVCGMYOB-UZUQRXQVSA-N 432.524 2.105 0 40 IEAB O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 217639895 KCHRTDQGIZBUNV-LVCYWYKZSA-N 449.507 2.481 0 40 IEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2c(OC)cccc2OC)cc1 222721212 GCOMYADXTSVRBT-UHFFFAOYSA-N 436.530 2.477 0 40 IEAB COc1ccc2cc(C(=O)N3CCCN(S(=O)(=O)c4c(C)nn(C)c4C)CC3)[nH]c2c1 252507442 WLWHFLUNIFPASS-UHFFFAOYSA-N 445.545 2.064 0 40 IEAB O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(N2CCCCS2(=O)=O)c1 257270606 MUWWJDSZGQRZAK-UHFFFAOYSA-N 428.919 2.389 0 40 IEAB Cn1nccc1C(=O)N1C[C@@H](c2ccnn2C)[C@@]2(CCCN(Cc3ccccc3)C2=O)C1 306134403 NMFDJNSITXIYIE-YADARESESA-N 432.528 2.202 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408658037 KPWUIPXMHRMMHB-QPOHIBMRSA-N 440.496 2.399 0 40 IEAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 408663467 YJQWYGNYLITLKZ-CYBMUJFWSA-N 445.859 2.024 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)no1 408668641 VGRDALFXPQXXSF-JCURWCKSSA-N 425.441 2.704 0 40 IEAB CCCNC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1 409194487 MGCDUXPUZMVBBT-UHFFFAOYSA-N 436.530 2.130 0 40 IEAB CCOc1cc(Br)c(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)cc1OC 409201396 MRCWSLBTAUPPCL-SDQBBNPISA-N 443.319 2.429 0 40 IEAB COc1cc(OC)c(OC)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409215429 YPACKMMIFPMEII-OVCLIPMQSA-N 429.404 2.383 0 40 IEAB O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 500509916 ISQXXPVMHJUQFO-LLVKDONJSA-N 442.672 2.325 0 40 IEAB COc1cc([C@@H](CC(=O)NCCCc2nc(C)no2)c2oc(C)cc(=O)c2O)ccc1O 524731150 LKMWDTOCYFDDNY-OAHLLOKOSA-N 443.456 2.330 0 40 IEAB biogenic O=C(CCc1cc(Br)ccc1OC(F)F)N1CC[C@@H](N2C(=O)CNC2=O)C1 575604775 AXNQSUWPQZMMOH-GFCCVEGCSA-N 446.248 2.136 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)Cc5ccc(Cl)cc5)C[C@@H]4C3)nn12 1888941711 MGXOXUYCJRJDGA-HOTGVXAUSA-N 446.964 2.238 0 40 IEAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 991188 RKDGBUBKLVYBQY-UHFFFAOYSA-N 430.511 2.478 0 40 IEAB CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(C)c(C)c1 2406746 XNSOUYPPUHBJIL-LJQANCHMSA-N 438.406 2.159 0 40 IEAB O=C(N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)OCc1ccccc1 5706758 BNRIKQJCFUGCTI-UXHICEINSA-N 426.469 2.008 0 40 IEAB CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 8298839 IFDFIYVSBJLCCK-SXLOBPIMSA-N 425.533 2.376 0 40 IEAB biogenic,in-vitro COc1ccc(CNC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1OC 8626096 RJHUFZBBUGFYGV-UHFFFAOYSA-N 435.498 2.036 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1C 9158866 HXCMTUABYWTOHW-UHFFFAOYSA-N 431.464 2.453 0 40 IEAB CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1nncs1 9289800 POVNHVLMFGQPHR-UHFFFAOYSA-N 437.938 2.464 0 40 IEAB CNC(=O)NC(=O)[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 9391989 UVGWNGOMNFAVCE-IBGZPJMESA-N 441.459 2.418 0 40 IEAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCCCCC3)[nH]c2=O)cc1 9518108 USHWQXPJUYHXGQ-UHFFFAOYSA-N 431.518 2.108 0 40 IEAB Nc1cc(=O)nc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccc(F)cc1 9518789 ZTOZRSWEQDMSKB-UHFFFAOYSA-N 439.516 2.395 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 9725760 ACRKSBGAEHDTRZ-CQSZACIVSA-N 443.550 2.475 0 40 IEAB O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1cccc(N2CCCC2=O)c1 9996019 KIHQVJNVUGXXNS-CYBMUJFWSA-N 435.527 2.149 0 40 IEAB COC(=O)c1ccc([C@H]2c3c(-c4cccc(OC)c4)nnc(O)c3Nc3nnnn32)cc1 10296967 OFXQHHVSOKWWSL-SFHVURJKSA-N 431.412 2.326 0 40 IEAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1C 12634879 NVBVJCPLSXGQME-UHFFFAOYSA-N 434.452 2.099 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 12817989 GDEIUGHTRCJTOP-SJLPKXTDSA-N 430.501 2.081 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(NC[C@H](c3ccco3)N3CCCCC3)nc2)CC1 15170595 VWJJPICBYRNULB-LJQANCHMSA-N 433.578 2.250 0 40 IEAB Nc1c(C(=O)[C@H]2CCCN2C(=O)CCCN2CCCC2=O)cnn1-c1ccc(F)cc1 19337060 SDIFAFGNWITQHM-GOSISDBHSA-N 427.480 2.170 0 40 IEAB CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccccc4F)CC3)ccc21 19572492 QSPACSNOQJJJKF-QFIPXVFZSA-N 433.549 2.394 0 40 IEAB COCCN1C[C@@H](c2cc(N(C)C)nc(C3CCN(C(=O)CC(C)C)CC3)n2)CC1=O 19697330 FKNWUDBJUFYINY-SFHVURJKSA-N 431.581 2.257 0 40 IEAB COc1ccc(CCN2CN(N3CCN(C)CC3)c3nc4ccccc4n3C2)cc1OC 20637255 BHEBRYQBGUTZPH-UHFFFAOYSA-N 436.560 2.496 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCc1ccc(F)cc1 34872876 RIJCWTAJLCQHFN-UHFFFAOYSA-N 439.940 2.144 0 40 IEAB O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cc1 36390784 PXYYSEBRZIMAQC-RTBURBONSA-N 427.501 2.499 0 40 IEAB COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)NC(C)(C)C)co2)CC1 56949928 ZLOUNTQGOHLAMD-UHFFFAOYSA-N 429.517 2.264 0 40 IEAB Cn1cnc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)c(F)cc2F)c1Cl 72301059 WTDFXEBAXAVWLC-UHFFFAOYSA-N 442.897 2.229 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 78878563 HHNCIHAVWPPZGG-ZQIUZPCESA-N 443.541 2.302 0 40 IEAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 84005025 NSUDIIWFRQHYBF-FQEVSTJZSA-N 440.544 2.055 0 40 IEAB CN(C)S(=O)(=O)c1ccc2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)n2c1 95944742 UNHGAYLATCXDLA-KRWDZBQOSA-N 445.570 2.266 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1 96225100 XREQQKJXFTZOAJ-NRFANRHFSA-N 428.514 2.006 0 40 IEAB O=C(c1ccoc1)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 97097921 FXCIAIYJSQBXLD-GOSISDBHSA-N 441.875 2.394 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)CC2)cc1 102404986 SHEWWNRKBLXNOI-FEHORTKBSA-N 446.569 2.340 0 40 IEAB COc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(C)c1 225564546 ZIWJGPLRYMZJSG-UHFFFAOYSA-N 438.571 2.316 0 40 IEAB CC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)s1 225842686 GLTCYADFVJMZNL-UHFFFAOYSA-N 428.883 2.021 0 40 IEAB COC(=O)[C@]1(CC(=O)N2C[C@H](C)O[C@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 247810810 CMZGYCIEXZXDJV-VTMXZCIOSA-N 446.519 2.317 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248261097 WDDYSDDYCOLBBE-IPRDPGLQSA-N 437.471 2.293 0 40 IEAB O=C(NS(=O)(=O)c1ccc(Br)cc1)c1ccc(CN2CCOCC2)cc1 257226791 FMFFZZZSCJAJQF-UHFFFAOYSA-N 439.331 2.400 0 40 IEAB Cc1ccc(C(=O)N2CCN(C)C[C@@](O)(Cn3cccn3)C2)cc1NCc1cccnc1 257249721 JJMWOZUFSLDVLM-DEOSSOPVSA-N 434.544 2.018 0 40 IEAB O=C(CCN1CCCC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257260085 LBGQMSNOGLEBFQ-GNKBHMEESA-N 443.632 2.287 0 40 IEAB Cc1cc(N2C(=O)OC[C@H]2Cc2ccccc2)nc(C2CCN(S(C)(=O)=O)CC2)n1 257300009 RSOCVLCGYMCHFE-GOSISDBHSA-N 430.530 2.492 0 40 IEAB COCCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2ccc(F)cc2)C(=O)C3)C1 257321296 WBAGBJYAOXOCIA-KRWDZBQOSA-N 426.492 2.408 0 40 IEAB O=C(C[C@H]1CN(C(=O)Cn2cccn2)CC[C@@H]1Oc1cccc(Cl)c1)N1CCOCC1 257321521 WCAFMQGQGGJEER-PXNSSMCTSA-N 446.935 2.082 0 40 IEAB COc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 408713048 IFJXCODPNDLQMX-UHFFFAOYSA-N 431.514 2.125 0 40 IEAB CCc1ccccc1N(CC(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)S(C)(=O)=O 409258877 VWIQJLYSCUSJDT-UHFFFAOYSA-N 448.497 2.227 0 40 IEAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]12 409334640 LPLHTKVNPSEHIT-XTCWOQMQSA-N 433.844 2.304 0 40 IEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cnn(C)c3)[C@@H]21 604418510 HYKXMRBNHYDCSO-OAQYLSRUSA-N 447.451 2.191 0 40 IEAB COc1ccccc1NC(=O)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@H]2C1 1549161904 QAEHOWTUGXREMN-GOSISDBHSA-N 428.489 2.135 0 40 IEAB Cc1cc(S(=O)(=O)N(Cc2ccc(F)cc2)C[C@H]2CCCO2)ccc1-n1cnnn1 934135 KMZUCNRCLDCUML-GOSISDBHSA-N 431.493 2.480 0 40 IEAB O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCO2)NC1CCCCC1 4355272 NQEFKEDJCBBEHK-UHFFFAOYSA-N 427.457 2.220 0 40 IEAB COc1ccc(OCCCC(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 9485733 XJJBTFWVJCZGMS-AWEZNQCLSA-N 436.486 2.072 0 40 IEAB O=C(NCCCn1ccnc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9672177 KNBNLMGKXLNKBV-UHFFFAOYSA-N 442.497 2.275 0 40 IEAB O=C(c1oc2ccccc2c1NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1 9881816 ONGHFBQJDFTTTO-UHFFFAOYSA-N 444.465 2.477 0 40 IEAB Cc1nc2ccc(C(=O)N3CCC[C@H](c4ncncc4S(C)(=O)=O)C3)cc2nc1C 12128445 LVSVBRNYSPTQKI-INIZCTEOSA-N 425.514 2.460 0 40 IEAB Cn1cnnc1Sc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 12526127 LOHZYVWWIUOEHD-UHFFFAOYSA-N 443.510 2.004 0 40 IEAB O=C(NCCc1nc2ccccc2[nH]1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12627690 DRNVFUTZRWOCDX-HNNXBMFYSA-N 430.505 2.462 0 40 IEAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1 12973335 GUMJOOSUNYTDDZ-QZTJIDSGSA-N 430.526 2.260 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1 13009362 IXJQZIBTQIBPGJ-UHFFFAOYSA-N 426.546 2.407 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NCCOC 13555068 GNLWQRNJZRIEOV-XTGKAWNFSA-N 433.574 2.329 0 40 IEAB CC(=O)c1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CCN1CCOCC1 13628726 OPMMEOPVMNPXTJ-UHFFFAOYSA-N 427.526 2.116 0 40 IEAB CCOC(=O)C1CCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1 13721282 HXFCIWGRMIYNMP-UHFFFAOYSA-N 427.501 2.303 0 40 IEAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 15850823 SLKYZZZLMBGEAW-LBPRGKRZSA-N 445.859 2.231 0 40 IEAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)c4snnc4C)C3)c2N)cc1 19563435 VYQVKKMGLFDMFC-ZDUSSCGKSA-N 426.502 2.358 0 40 IEAB Cn1cc2c(n1)[C@H](C(=O)NCc1ccccn1)CN(Cc1ccc(N3CCCC3=O)cc1)C2 19701398 HZCXVTOSUCTEBP-JOCHJYFZSA-N 444.539 2.358 0 40 IEAB Cc1nc([C@H]2CCCCN2C(=O)c2ccc(=O)n(C)n2)nc2c1CCC(=O)N2CC(C)C 19740856 DNGXNZGZADALPS-GOSISDBHSA-N 438.532 2.181 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1cccc(Br)c1 21348770 SJLNDRYVZBUWCW-UHFFFAOYSA-N 426.336 2.428 0 40 IEAB CCCn1c(N)c(N(CCOC)C(=O)CCc2ccc(-c3ccccc3)o2)c(=O)[nH]c1=O 21353266 WYPMKSAVHQJOHG-UHFFFAOYSA-N 440.500 2.401 0 40 IEAB Cc1cc(O)c([C@H](c2cccc(F)c2)N2CCN(CCO)CC2)c(=O)n1Cc1ccco1 22698217 ZSPUSGDSGVCZOY-QHCPKHFHSA-N 441.503 2.342 0 40 IEAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N2CCN(C)CC2)cc1 22795571 LYZYLBBBHBYRCI-HXUWFJFHSA-N 432.471 2.017 0 40 IEAB C[C@@H]1CN(CCNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)C[C@@H](C)O1 26367723 JNJQILYXCZLRAT-HZPDHXFCSA-N 442.541 2.087 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCCCN2CCCCCC2)Oc2ccc(Cl)cc21 30872236 DPDAXXYNZCTGHE-SFHVURJKSA-N 429.970 2.249 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)c1C 36385370 IAMIUZXYXIALFN-UHFFFAOYSA-N 439.559 2.059 0 40 IEAB COc1ccc(CNC(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 36709101 OKFVOUHHAURKJM-UHFFFAOYSA-N 446.573 2.037 0 40 IEAB COCCn1cnc2ccc(NC(=O)c3cn(CCOC)c(=O)c4ccccc34)cc2c1=O 95478654 BQVAZFLMZVIDHE-UHFFFAOYSA-N 448.479 2.257 0 40 IEAB O=S(=O)(c1ccc(OCCNC(=S)Nc2ccc(F)cc2)cc1)N1CCOCC1 224499749 RZNNVTSIGLIPEQ-UHFFFAOYSA-N 439.534 2.212 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc2c(c1)sc(=O)n2C 225041523 QGTBJCODFRLPAG-UHFFFAOYSA-N 447.538 2.182 0 40 IEAB CCOC(=O)CN1[C@H]2CCCC[C@H]2NC(=O)[C@H]1CC(=O)Nc1cc(Cl)ccc1OC 227135959 ZBXKLESCWFWVQN-HYVNUMGLSA-N 437.924 2.352 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)c2ccc3[nH]nnc3c2)CC1 257250570 JNBPCMOGHHKSCS-WPFOTENUSA-N 435.528 2.408 0 40 IEAB CCn1cc(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)cn1 257297464 RHIDCCGBIJPGRF-WPFOTENUSA-N 426.561 2.207 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 2624838 DXEFBLMUUQYXHY-UHFFFAOYSA-N 425.466 2.495 0 40 IEAB O=C1O[C@H]([C@@H]2OC(=O)C(=O)[C@H]2[C@H]2CCCCCCC2=O)[C@H]([C@@H]2CCCCCCC2=O)C1=O 5664042 IJJBNKXNBQBVMB-OVAIUACHSA-N 446.496 2.287 0 40 IEAB CCCn1c(O)c(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c(=O)c2ccccc21 8425458 VZOGHOGJSWPCQF-UHFFFAOYSA-N 435.889 2.394 0 40 IEAB O=C(NCCc1nnc2ccccn12)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 8774290 SLPSOJAHLZLVGE-UHFFFAOYSA-N 447.520 2.453 0 40 IEAB CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccc(F)cc3F)c2n1 8794126 ZKZBTDNYYIRAMO-UHFFFAOYSA-N 448.499 2.483 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1 8815961 KIVSNSPWVBYELV-APWZRJJASA-N 449.573 2.264 0 40 IEAB NC(=O)COC(=O)CCc1nc2cc(C(F)(F)F)ccc2n(Cc2ccccc2)c1=O 9195647 CFDGDDSMWKKFHG-UHFFFAOYSA-N 433.386 2.425 0 40 IEAB O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)N[C@@H](CO)Cc1ccccc1 9253935 JWKCGQJOMVMODS-DZGUVLCISA-N 440.477 2.171 0 40 IEAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)NC1CC1 9496606 SWPZJNVVTMPMDI-ZDUSSCGKSA-N 432.498 2.398 0 40 IEAB CC[C@@H](OC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)cc1 12464499 UYOSZCRQBILZIR-BLLLJJGKSA-N 433.461 2.213 0 40 IEAB O=C1CCCN1c1cccc(OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 12620733 XHNNHEUFMUJAPM-HXUWFJFHSA-N 442.537 2.408 0 40 IEAB C[C@@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cn1 14201111 KKEVGKWHVVIYQM-GFCCVEGCSA-N 425.894 2.011 0 40 IEAB C[C@H]1Cc2cc([C@@H](O)CN3CCN(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O 19497870 SFVAUOKXAXPQFF-AOMKIAJQSA-N 433.549 2.392 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nn3c(C)nc4sccc4c3=O)CC2)cc1 21904083 GUNJNSQTLSMFTE-UHFFFAOYSA-N 446.554 2.246 0 40 IEAB CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 23701501 LVHLOSRHKACKAG-HXUWFJFHSA-N 442.526 2.300 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(OC)c(C)c2)c(OC)c1 28209985 YXGCRIHHKWPDBF-KRWDZBQOSA-N 448.497 2.339 0 40 IEAB CN1C(=O)[C@@]2(N=c3ccccc3=C(O)N2C[C@@H](c2ccccc2)N(C)C)c2ccccc21 36353968 FGTVWQAQBLKOSJ-JYFHCDHNSA-N 426.520 2.378 0 40 IEAB COc1cc(C2=NN(C(C)=O)[C@H](N[C@H](Cc3ccccc3)C(=O)O)C2)cc(OC)c1OC 36665007 FBKMIDJMPUHEBL-NQIIRXRSSA-N 441.484 2.280 0 40 IEAB O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)NCc1ccccc1Cl 49409307 ZAKXGGROHOADFX-UHFFFAOYSA-N 437.949 2.383 0 40 IEAB O=C(CCn1ncc2ccccc21)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325646 LVUNDJZGQPPBHQ-UHFFFAOYSA-N 425.514 2.149 0 40 IEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@H]2C(O)=N3)c1 95475239 DGHJJFWNHHIEPJ-SFHVURJKSA-N 442.497 2.395 0 40 IEAB CCOC(=O)[C@]12CCCN(C(=O)C3CCOCC3)C[C@H]1CN(Cc1cccc(C)n1)C2 96056096 ANIXOSLICPUJMD-YKSBVNFPSA-N 429.561 2.420 0 40 IEAB CC(C)CN1CC2(CCN(C(=O)c3ccnnc3)CC2)COc2ccccc2S1(=O)=O 96263513 HUYHQYAUWJBQSF-UHFFFAOYSA-N 444.557 2.438 0 40 IEAB COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O 214302858 LLCCZJSRBXMNJO-NTEUORMPSA-N 441.303 2.353 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1OC 220229105 FDYQSEINUBWTFX-KRWDZBQOSA-N 447.557 2.207 0 40 IEAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NC2CCN(C(=O)C3CC3)CC2)Oc2ccccc21 247468057 DHNJZHYMIYWKGL-XHFAZCCNSA-N 437.540 2.459 0 40 IEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCC(=O)N1CCCCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253596106 NEUFOWJCOBCVGE-WYWCTVAXSA-N 425.529 2.460 0 40 IEAB O=C(NCCCN1CCOCC1)c1nc(-c2ccnn2-c2ccccc2)n2ccncc12 306141469 VXFAXLQFWJFXMM-UHFFFAOYSA-N 431.500 2.034 0 40 IEAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 575425978 JZNQUJUCHKBIAO-CVEARBPZSA-N 430.935 2.019 0 40 IEAB CN(CCc1ccccc1)[C@H]1[C@H](NC(=O)CCC(=O)O)C[C@@H](Oc2ccccc2F)[C@@H]1O 585262276 RPCIUJBKLGJHHB-YKBLPDKLSA-N 444.503 2.230 0 40 IEAB Cn1c(=O)c2cc(C(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)n(C)c2n(C)c1=O 618685612 LQYPUJNYRRDCBD-FQEVSTJZSA-N 428.492 2.364 0 40 IEAB COC(=O)N1c2ccccc2[C@@]23CC(=O)C[C@]4(CCCN(C=O)[C@H]42)CC[C@@]13C(=O)OC 1077995416 OMANQXKGUWJXTD-PVSGBFIBSA-N 426.469 2.187 0 40 IEAB biogenic Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccccc4Cl)C[C@H]23)n1 1549161368 GXVQUZLKUMNMOL-INIZCTEOSA-N 428.880 2.366 0 40 IEAB CCOc1ccc(NCCNC(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1885289 PAGZCPOEDNZMBW-UHFFFAOYSA-N 437.500 2.050 0 40 IEAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(N2CCOCC2)cc1 3323374 FXMMGGHZAFHCIW-NRFANRHFSA-N 447.495 2.106 0 40 IEAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)NCC(F)(F)F 3481544 MYGPAVGATXHAQY-UHFFFAOYSA-N 442.843 2.350 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(Cl)cc3)cc2C1=O 3507689 CEFQUSWKAXLBSD-UHFFFAOYSA-N 444.871 2.446 0 40 IEAB COc1ccccc1CN(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9733526 LQOHGBOYDUTJPN-UHFFFAOYSA-N 439.559 2.119 0 40 IEAB CNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(OC)c(OC)c1 10416126 JFMSQTARGYAQMS-UHFFFAOYSA-N 442.497 2.010 0 40 IEAB Cc1ccc(CCC2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 13020247 IJAKITCBQLJRFO-LEWJYISDSA-N 432.586 2.202 0 40 IEAB COc1cccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)c1 13151096 GDEFMEDZXLRHTD-QGZVFWFLSA-N 446.529 2.199 0 40 IEAB O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)N[C@H]1CCS(=O)(=O)C1 13572596 IDKWZDJWVOAIKS-GFAPJHNFSA-N 428.919 2.070 0 40 IEAB Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c1C 14080432 FLPJVBFSLPVHPW-GOSISDBHSA-N 445.541 2.129 0 40 IEAB COc1cccc(N2C(=O)[C@H]3C=C[C@@H](n4nc(O)n(Cc5ccccc5)c4=O)C[C@@H]3C2=O)c1 16228049 XQNXNMMTUFNFLS-HOJAQTOUSA-N 446.463 2.114 0 40 IEAB COc1ccc(CO[C@@H]2C3OC4O[C@@H](C(O)[C@H]2O4)[C@H]3OCc2ccc(OC)cc2)cc1 17111496 OOEMZLZGBFOQOC-CNFZTQRXSA-N 430.453 2.015 0 40 IEAB CC[C@@H](C)N(C(=O)COc1ccc(Br)cc1C=O)[C@H]1CCS(=O)(=O)C1 18186657 IQMNHOPLSIPFMC-DOMZBBRYSA-N 432.336 2.455 0 40 IEAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 18224719 STROJBWTULVJLT-UHFFFAOYSA-N 446.510 2.381 0 40 IEAB COc1ccc2c(c1)C=C(C(=O)N1CCC[C@@H](c3nc(O)c4c(n3)CCN(C)C4)C1)CO2 19590213 VLERZGFULWJPFQ-OAHLLOKOSA-N 436.512 2.361 0 40 IEAB COc1cccc(CC(=O)N2CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)c1 19693075 JDCUUDPHOWKZOQ-FQEVSTJZSA-N 432.480 2.394 0 40 IEAB Cc1nc([C@H]2CCCCN2S(=O)(=O)c2cnn(C)c2)ncc1C(=O)N1CCCCC1 19765723 QZXHMDTXIPZTOC-GOSISDBHSA-N 432.550 2.061 0 40 IEAB CCOC(=O)Cc1nnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1C 24926539 RQLCYJQXPDOLAL-UHFFFAOYSA-N 437.953 2.015 0 40 IEAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccccc1S(=O)(=O)N1CCOCC1 25134077 RBVKQNGDDVXOPG-UHFFFAOYSA-N 426.498 2.205 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(C4CC4)no3)CC2)cc1OCC 32769890 UNCSNTRQTVBCJI-UHFFFAOYSA-N 436.534 2.251 0 40 IEAB Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)N2CCOCC2)o1 32842211 IDAAXQZVWHGCJM-YWZLYKJASA-N 447.557 2.102 0 40 IEAB CS(=O)(=O)N1CCCN(C(=O)COc2ccc3ccccc3c2Br)CC1 40071973 MGMCRQYAYWUATF-UHFFFAOYSA-N 441.347 2.475 0 40 IEAB O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccc(F)cc1F 40478084 YRTZGBSLQIGKCV-UHFFFAOYSA-N 432.337 2.231 0 40 IEAB Cn1ccnc1C(=O)c1cccc(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)c1 44921800 XVWFDBFDOIPUBA-UHFFFAOYSA-N 445.523 2.370 0 40 IEAB CCOC(=O)C(NC(=O)Cn1c(C)c(Br)c2ccccc21)C(=O)OCC 72272810 KKPQEVOWDQHXBE-UHFFFAOYSA-N 425.279 2.323 0 40 IEAB COC(=O)N1CCc2ccc(NS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)cc2C1 96102799 ZQZICMSWPUNWQJ-UHFFFAOYSA-N 441.509 2.447 0 40 IEAB CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224843834 OXICSJDTIMIDTF-UHFFFAOYSA-N 449.481 2.393 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)CC2=O)cc1 226452724 MJXUTQYZEVFXTK-BJLQDIEVSA-N 427.545 2.222 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@]21O3 245229889 IBMQHRGDYFQPOV-NJEGMPIUSA-N 429.561 2.053 0 40 IEAB CC(=O)NCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)CC3)C1 257215345 CPRSIFWPDPTODH-HXUWFJFHSA-N 449.555 2.149 0 40 IEAB O=C(Cn1cc(Cl)cn1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257341495 ZKOOOTHFUBXFQL-MQSCRBSSSA-N 446.979 2.226 0 40 IEAB O=C(NCCCO)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408593005 LOBAEJCCUJSFTH-INIZCTEOSA-N 431.341 2.382 0 40 IEAB Cc1ccc(CN(c2ccc(C(=O)NCCN3CCOCC3)cc2)S(C)(=O)=O)cc1 408629839 IWJFAGBDRXONRM-UHFFFAOYSA-N 431.558 2.023 0 40 IEAB COCCn1nc([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)n(C2CC2)c1=O 585233591 HVFRUMUKYHANRA-CQSZACIVSA-N 440.953 2.248 0 40 IEAB O=C(OCc1ccccc1)N1CC[C@@H](S(=O)(=O)NCCc2ccc3c(c2)OCO3)C1 1614575307 CZNHJVZZKJDQLP-GOSISDBHSA-N 432.498 2.288 0 40 IEAB FC(F)(F)c1nnc2ccc(N3CCN(c4cc(C5CCOCC5)ncn4)CC3)nn12 1888890178 QSXPIIDMWJRNRK-UHFFFAOYSA-N 434.426 2.154 0 40 IEAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cc1OC 1888918156 LBZGBFIUERCOTF-IYBDPMFKSA-N 444.557 2.048 0 40 IEAB COCCNS(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1OC 2386528 RCDCXMPRMRBZLY-UHFFFAOYSA-N 427.486 2.186 0 40 IEAB O=S(=O)(NCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F 3125365 HRGUQRGMUYYRQT-UHFFFAOYSA-N 440.797 2.315 0 40 IEAB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCC1 3277145 YJWRCAUHAMEBED-IBGZPJMESA-N 428.510 2.196 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 3311437 GPGCEHQCOMUZII-DEOSSOPVSA-N 447.495 2.199 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 8751763 GPRPXZHSCPHJHN-AVRWGWEMSA-N 449.507 2.459 0 40 IEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@@H](C)c1ccccc1 9187239 BLWGJMPZMNJJEZ-XYJFISCASA-N 437.496 2.193 0 40 IEAB O=C(COC(=O)C1CCCCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 9438613 AXUCBOUIFITNJX-UHFFFAOYSA-N 444.937 2.423 0 40 IEAB O=C(NCc1cccnc1)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 9529939 ASHVJCCEMJHJEP-JKSUJKDBSA-N 436.946 2.345 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCc2cccs2)cc1 9744930 MTNZXVJWZIGCOH-QGZVFWFLSA-N 449.598 2.422 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CC(C)(C)Cc3nc(N4CCCC4)ncc32)CC1 12254994 IWRZRWZNWDEOLD-SFHVURJKSA-N 449.621 2.268 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCSc4ccccc43)CC2)cc1 12769174 WVMFSQLGCQPWRE-UHFFFAOYSA-N 447.582 2.140 0 40 IEAB Cc1ccc([C@@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)N2CCOCC2)o1 12983178 GDUDQBGZBJAQDC-LJQANCHMSA-N 425.485 2.154 0 40 IEAB CC(C)(CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCOCC1 13002430 GMSGVANSZZBLSU-UHFFFAOYSA-N 435.521 2.467 0 40 IEAB COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1 16953616 HBXGXYCUCWXFTI-UHFFFAOYSA-N 447.474 2.250 0 40 IEAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(S(=O)(=O)N2CCOCC2)cc1 17155613 WFRQVPBJMPTMHE-UHFFFAOYSA-N 447.494 2.298 0 40 IEAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@]4(CC=CNC4=O)C3)c(Cl)cc21 19524229 ZDSSAUHCDXOMEQ-GOSISDBHSA-N 425.894 2.072 0 40 IEAB CN(C)C(=O)[C@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@@H]1c1ccnc(N2CCCCC2)n1 19581329 QLKWQYXDHNZDOU-QYZOEREBSA-N 429.565 2.056 0 40 IEAB O=C(NCCO)c1cc([C@@H]2CCN(Cc3ccnc(N4CCCC4)n3)C2)nc2ccccc12 19762703 BABCVWUOFOBKJX-GOSISDBHSA-N 446.555 2.337 0 40 IEAB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 21122089 OFBXMZWMYKTWLG-JTQLQIEISA-N 429.545 2.015 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 23995975 NHTUXFXSANGDEE-UHFFFAOYSA-N 431.558 2.352 0 40 IEAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN(S(=O)(=O)N2CCCC2)CC1 31387967 VXEIUMXLNMSSLY-UHFFFAOYSA-N 427.526 2.409 0 40 IEAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 32125187 CMUTVARJYKFBOI-UHFFFAOYSA-N 446.598 2.457 0 40 IEAB COc1ccccc1[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1nccn1C 32842420 XIDGYZXIPCJVBX-FQEVSTJZSA-N 440.525 2.270 0 40 IEAB Cc1noc(C)c1CN1CCN([C@H](C(=O)O)c2cn(C)c3cc(C(=O)O)ccc23)CC1 36354333 PHXXAZZKWRCMNY-FQEVSTJZSA-N 426.473 2.425 0 40 IEAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 36383366 YWNXLQPQTASZEI-SBUREZEXSA-N 435.524 2.487 0 40 IEAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3[C@@H](O)[C@@]21C 50197183 KJPDWMMNIXDJJC-SSLQNFTLSA-N 428.529 2.322 0 40 IEAB biogenic O=C(Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)Nc1ccc(F)cc1Cl 67245824 KZOLDKUZCAQZPN-UHFFFAOYSA-N 427.885 2.454 0 40 IEAB COCCN1CC2(CCN(C(=O)c3ccoc3)CC2)COc2ccccc2S1(=O)=O 96037181 XTHIXSWPAJQPCK-UHFFFAOYSA-N 434.514 2.232 0 40 IEAB O=S(=O)(c1ccc(Cl)cc1)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 96371214 OPOKOCNVKMWSMM-INIZCTEOSA-N 443.930 2.348 0 40 IEAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)O)CC1 100778068 OBTZKGKFJMXNSU-MWDXBVQZSA-N 441.569 2.438 0 40 IEAB COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 222771928 FUCJDRQVRJLBPX-UHFFFAOYSA-N 448.541 2.492 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCC2(c3ccccc3)CCOCC2)cc1 224611114 FOZRSGJTLLKMSM-UHFFFAOYSA-N 432.542 2.180 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1)Cc1ccccc1 226034754 LFDMTIDJCTYAQT-UHFFFAOYSA-N 445.570 2.142 0 40 IEAB O=C(NCCn1cc(-c2ccccc2)cn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 253470970 AIAVKHFFUSYHLZ-UHFFFAOYSA-N 440.525 2.001 0 40 IEAB CN1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CN(Cc3nccs3)CCO2)CC1 257253291 JYHNULPNCQJFHG-QFIPXVFZSA-N 448.564 2.096 0 40 IEAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CCN(S(=O)(=O)Cc1ccc(C)cc1)C2 257310067 UDNSDNJYOCVGNH-GOSISDBHSA-N 443.573 2.051 0 40 IEAB Cc1nc(C(=O)N2C[C@H]3Cn4c(nnc4C(=O)Nc4cccc(F)c4)C[C@H]3C2)cs1 306124635 BVOZXSZVLSZOTA-STQMWFEESA-N 426.477 2.379 0 40 IEAB COCCNc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cnc2ccccc2c1 509379031 NRWKCJLDMSTTAJ-UHFFFAOYSA-N 435.527 2.497 0 40 IEAB CS(=O)(=O)CC1(CC(=O)Nc2cc(I)cc(C(=O)O)c2)CC1 538471912 GUCWUQXOYOIPQP-UHFFFAOYSA-N 437.255 2.143 0 40 IEAB COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)c1 581863843 VUBDQNQATZBFKN-GOSISDBHSA-N 449.504 2.171 0 40 IEAB CC(C)C[C@@H]1NC(=O)C2(CCCCOC[C@@H](C)NC1=O)CCN(C1CCOCC1)CC2 643576569 SEEVYOUFYPGOMQ-CTNGQTDRSA-N 437.625 2.484 0 40 IEAB O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)N1C[C@H](CO)[C@@H](CCO)C1 1159698624 UNDRAMXQURQHOY-UONOGXRCSA-N 444.962 2.265 0 40 IEAB COc1cnccc1C(=O)N1CCC2(CC1)OCCn1c(CN(C)CC3CC3)cnc12 2055794336 LAPOYGUVZJFUNI-UHFFFAOYSA-N 425.533 2.290 0 40 IEAB COc1cc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc(OC)c1 919823 NDYRNAJUOGYDRG-UHFFFAOYSA-N 439.501 2.356 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)OC(C)(C)C 5519450 PPOBHQUEJKYAOG-UFYCRDLUSA-N 431.577 2.339 0 40 IEAB CC(C)C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N 6134982 QTLGYMZAXLPWFS-ZDUSSCGKSA-N 435.550 2.389 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)CO 8790138 RDIHDMDDFNZAPU-BKFVNKSUSA-N 433.574 2.063 0 40 IEAB biogenic COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)C(=O)Nc3ccccc3)C2)cc1 9183746 KZJLEGDVIDUGQH-DLBZAZTESA-N 445.541 2.239 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NC3CCCC3)CC2)cc1 9460804 ZIMVLALITYEEPJ-NRFANRHFSA-N 447.601 2.446 0 40 IEAB CC[C@H](Sc1ccc2nnc(CCNC(=O)c3ccc(OC)cc3)n2n1)C(=O)OC 9578661 OBYUDJWAZLKNJI-HNNXBMFYSA-N 429.502 2.149 0 40 IEAB COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 9671965 VGPMUVOVDRIDQL-LSDHHAIUSA-N 434.514 2.262 0 40 IEAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 9711966 KWLGCAUMQPNEBS-UHFFFAOYSA-N 438.513 2.108 0 40 IEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9861558 CHVCTIWCTQYSIL-QGZVFWFLSA-N 431.533 2.500 0 40 IEAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)COC[C@@H]2CCCO2)C[C@@H](C)O1 12240785 ANGNOGMICNTHIG-ZMMAXQRCSA-N 432.565 2.416 0 40 IEAB O=S1(=O)CC[C@@H](Cc2nnc(SCc3nc4ccc(Cl)cc4n3CCO)o2)C1 12516439 IZIQLBXANNJSFL-NSHDSACASA-N 442.950 2.335 0 40 IEAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)c1cccc(Cl)c1 12521577 UNBZOEJLDITJBV-UHFFFAOYSA-N 444.919 2.004 0 40 IEAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CN1C(=O)NC2(CCCC2)C1=O 12731965 HSGMGSKHYMGJTC-UHFFFAOYSA-N 427.288 2.255 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1 12791701 PDNVLVJVRJIIMQ-NRFANRHFSA-N 431.510 2.302 0 40 IEAB COc1ccc(C2=NN(C(=O)CSc3nc(N)nc(N)n3)[C@H](c3ccco3)C2)cc1 13095578 IWIQIXMRTPIGOT-AWEZNQCLSA-N 425.474 2.108 0 40 IEAB Cc1cc(C)c2sc(N3CCN(C(=O)[C@H]4CCCN(S(C)(=O)=O)C4)CC3)nc2c1 13790587 XBXDSQLPUYOXRI-INIZCTEOSA-N 436.603 2.233 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 15391552 QFALGHDPEOTVKI-QGZVFWFLSA-N 433.505 2.392 0 40 IEAB CCN1C(=O)C[C@@H](N2CCN(c3ccc(C(=O)c4ccc(OC)c(F)c4)cc3)CC2)C1=O 18265553 TWLZKHVLQXFCGH-HXUWFJFHSA-N 439.487 2.335 0 40 IEAB O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc2nsnc12)N1CCCC1 19079125 PFIYKKORZCMJJR-KRWDZBQOSA-N 428.539 2.429 0 40 IEAB O=C(C1CC1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3cccs3)[nH]c2=O)C1 19343207 DCQPSFFCGAWBAG-SFHVURJKSA-N 426.542 2.422 0 40 IEAB C[C@@H]1Cc2cc([C@@H](O)CN3CCN(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O 19497869 SFVAUOKXAXPQFF-ZHRRBRCNSA-N 433.549 2.392 0 40 IEAB COc1ccc(-c2noc([C@H]3CN(S(=O)(=O)CCc4ccncc4)CCO3)n2)cc1 19558540 LONQUEBDKJYUJE-GOSISDBHSA-N 430.486 2.086 0 40 IEAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20459827 AKJQOMZJLLOLOK-LIRRHRJNSA-N 431.514 2.381 0 40 IEAB COc1cc(C(=O)OCC(=O)N(C)[C@H]2CCCc3ccccc32)ccc1OCC(N)=O 25177369 ORYNHKWIVGLVCD-SFHVURJKSA-N 426.469 2.252 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2ccco2)sc2c1CCCC2 28421317 CXYKBAHTKOOXQP-UHFFFAOYSA-N 434.470 2.308 0 40 IEAB O=C(COc1ccc(Cl)cc1-n1cnnc1)Nc1cccc(C(=O)N2CCOCC2)c1 32646743 QOLFHCWJVFCHSP-UHFFFAOYSA-N 441.875 2.411 0 40 IEAB CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)cc1 39985374 DSQPZJZOBNIDLL-UHFFFAOYSA-N 436.530 2.082 0 40 IEAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)C1 58202093 UTUIZXGSUGQFHM-MZNJEOGPSA-N 440.544 2.139 0 40 IEAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326312 SJNQLOZVUYLZDF-HJPURHCSSA-N 425.533 2.341 0 40 IEAB Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(C)(=O)=O)c3)nn12 103248886 MYFFGZYMLKZBPZ-UHFFFAOYSA-N 438.513 2.461 0 40 IEAB in-vitro Cc1ccc2c(c1)O[C@H](C(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)CN2S(C)(=O)=O 222713949 DNSQAXHIQPFOAY-XOBRGWDASA-N 432.498 2.171 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1ccc(SCC(=O)N2CCC(C(N)=O)CC2)cc1 223395942 LVSKQDYLKHGCJZ-UHFFFAOYSA-N 447.582 2.328 0 40 IEAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224623207 CNEOILOXSQYPEY-HBMCJLEFSA-N 439.556 2.314 0 40 IEAB Cc1nc(N2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)cc(C(F)(F)F)n1 225732242 WDOMEZMOFYARGE-UHFFFAOYSA-N 446.433 2.253 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2OC)c(Cl)c1 408635498 CIDPSZJIZWOJIF-UHFFFAOYSA-N 428.894 2.291 0 40 IEAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)OC)c(I)c2)C1=O 409230333 CBAUCKAAXVDIHX-XYOKQWHBSA-N 444.225 2.146 0 40 IEAB O[C@]1(CN2CCC(F)(F)CC2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 585274737 ZUKKDSNWLJLQMC-QFIPXVFZSA-N 439.547 2.066 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc2O3)c1 1258994681 AUOTUVHTRQEZFJ-INIZCTEOSA-N 444.557 2.178 0 40 IEAB COC(=O)c1cc(NC(=O)COC(=O)c2cccc(OC)c2OC)cc(C(=O)OC)c1 3409204 SUIFQJLHXOLRQR-UHFFFAOYSA-N 431.397 2.073 0 40 IEAB CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 3882042 YNDXUCZADRHECN-KVUKYWRJSA-N 434.504 2.419 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4ccccc4[nH]3)CC2)cc1 6371893 ABZIDRIXRDCDOE-UHFFFAOYSA-N 430.555 2.497 0 40 IEAB CC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6821034 RYWVSKAIVPFAEF-OAHLLOKOSA-N 445.545 2.317 0 40 IEAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1N1CCN(C(C)=O)CC1 8831667 WKHSUMJGWUHJCW-UHFFFAOYSA-N 442.541 2.499 0 40 IEAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 9548572 BISPGYQRCIFOIX-YOEHRIQHSA-N 434.587 2.078 0 40 IEAB O=C(NCc1nnnn1C1CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9570986 NODSTEDNHVXWPG-UHFFFAOYSA-N 432.550 2.283 0 40 IEAB CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 9714380 QLUDWTSIFKJFDK-UHFFFAOYSA-N 430.940 2.047 0 40 IEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1cccc(Cl)c1N1CCOCC1 9906564 UVOXGVXZAVEDLE-UHFFFAOYSA-N 448.932 2.244 0 40 IEAB COc1ccc(NC(=O)c2ccc(COC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2)cc1 11505063 SLSIHMVZFDADPY-IBGZPJMESA-N 432.498 2.415 0 40 IEAB Cc1nc2c3ccccc3nc(SCC(=O)Nc3csc4nc(=O)c(C)nn34)n2n1 12390250 JNOHEJMQHKHIML-UHFFFAOYSA-N 438.498 2.090 0 40 IEAB O=C(NCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1cc2ccccc2[nH]1 13692483 KBTIJBDTTQKXTP-UHFFFAOYSA-N 426.498 2.003 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)cc2)C[C@@H](C)O1 15916687 QDJZIMYNDRVJEZ-HZPDHXFCSA-N 446.525 2.437 0 40 IEAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)[C@H](C)Oc3cccc(F)c3)nc2C1 19078756 GZUMASOVXZIVRG-DJJJIMSYSA-N 428.464 2.357 0 40 IEAB CNc1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 19697314 SXRNKLVYLHDRRK-INIZCTEOSA-N 429.546 2.032 0 40 IEAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1OC 22509318 SMMIOTWMFFKEHS-UHFFFAOYSA-N 434.514 2.427 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)OCCCn2c(=O)[nH]c3ccccc32)c1 26796880 BULQVRPWXFKMQM-UHFFFAOYSA-N 431.514 2.248 0 40 IEAB C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cccc4ccccc34)CC2)C[C@@H](C)O1 31663355 GODXZGUKCPKYCQ-CALCHBBNSA-N 432.546 2.343 0 40 IEAB Cc1cccn2c(=O)cc(Cn3ncc(Br)c(Br)c3=O)nc12 31804379 SLSUBQGCISXNMI-UHFFFAOYSA-N 426.068 2.133 0 40 IEAB COC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl 33656960 JYMQJLNVTCZGJP-ZSOIEALJSA-N 448.815 2.364 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1sccc1-n1cccc1 36397767 DSIYRRPEKBYCCA-UHFFFAOYSA-N 431.539 2.490 0 40 IEAB COCCn1nnnc1CN(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 57615867 JRGVOZRYJNDRFH-UHFFFAOYSA-N 434.500 2.372 0 40 IEAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(Cc3nc(-c4cccnc4)no3)C2)CC1 62022908 NVMODZAFCFSTNP-QGZVFWFLSA-N 442.520 2.081 0 40 IEAB CN(C)c1ncccc1CN1CCC(c2nnc([C@H]3CCCCN3S(C)(=O)=O)o2)CC1 72344926 GHHQLNWQIZVINH-GOSISDBHSA-N 448.593 2.397 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)c1ccccc1O 89459628 QBSGCFMNNDWAND-UHFFFAOYSA-N 448.497 2.371 0 40 IEAB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 205704510 JHRKQWBCVDTGDY-WUXMJOGZSA-N 429.834 2.411 0 40 IEAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 219988811 DXHOVATXSBWFJX-UHFFFAOYSA-N 445.541 2.488 0 40 IEAB COc1ccc(NC(=O)N2CCC(O)(c3csc(CN4CC[C@@H](O)C4)n3)CC2)cc1 225422550 YCCGXPXDQIRFDA-MRXNPFEDSA-N 432.546 2.234 0 40 IEAB biogenic,in-vitro COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 230029996 JSLUOVFOJJMTGM-BURNTYAHSA-N 431.448 2.301 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1 247754574 YSFFHCWQIMRZLS-QVWMHLQHSA-N 433.512 2.209 0 40 IEAB COc1cc2c(cc1OC)[C@@H](NC(=O)Cn1cnc3cc(OC)c(OC)cc3c1=O)CC2 524729942 OZHOEJFDVLCYKR-INIZCTEOSA-N 439.468 2.235 0 40 IEAB biogenic Cc1nnc2c(N3CCC(NS(=O)(=O)c4ccccc4C(F)(F)F)CC3)nccn12 575605195 BCAKAWFKBJFVJK-UHFFFAOYSA-N 440.451 2.399 0 40 IEAB O=C(c1ccc(Br)o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148517 QCPFZISTRCYMKX-UHFFFAOYSA-N 438.200 2.473 0 40 IEAB CCOC(=O)C(=O)Nc1ccccc1OCCOc1ccccc1NC(=O)C(=O)OCC 4108765 DECKQWFJQBRMMY-UHFFFAOYSA-N 444.440 2.148 0 40 IEAB O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 8691230 GDKRGCIKEKFXDU-VMPITWQZSA-N 434.395 2.422 0 40 IEAB O=c1n(C[C@@H](O)CN2CCCCCC2)c2ccccc2n1C[C@@H](O)CN1CCCCCC1 8926105 BSUSMYWZSLCNQN-VXKWHMMOSA-N 444.620 2.277 0 40 IEAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 9420345 ZBBXIONGQCEYJW-KRWDZBQOSA-N 425.441 2.306 0 40 IEAB NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 9668682 KDGPFTWQYZLDGY-UHFFFAOYSA-N 431.514 2.368 0 40 IEAB C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1cc2ccccc2o1 9798125 ITFYCGQXSNUKIL-OAHLLOKOSA-N 429.498 2.256 0 40 IEAB O=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030219 UMZLAAWMVQILIR-KRWDZBQOSA-N 427.931 2.231 0 40 IEAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(-c2ccncc2)n1 12232171 FQGLAPMUSJOCDR-UHFFFAOYSA-N 445.932 2.282 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12752356 QTHCFSWGIABPOZ-UHFFFAOYSA-N 448.497 2.455 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(OC(F)F)cc1 12816587 UAWWDUCQHANBSZ-UHFFFAOYSA-N 426.441 2.239 0 40 IEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(CS(C)(=O)=O)cc1 12890685 NZOZUWDXVXATFU-OAHLLOKOSA-N 443.525 2.067 0 40 IEAB CCN(CC(=O)NCc1cccs1)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 13019479 JGJZNKJHOHWOSK-OAHLLOKOSA-N 445.541 2.283 0 40 IEAB CC(C)NC(=O)CN1CCN(C(=O)COC(=O)c2sccc2-c2ccccc2)CC1 14199803 YZXMVEBNIMXGCZ-UHFFFAOYSA-N 429.542 2.241 0 40 IEAB CCc1cc(O[C@H](C)C(=O)N(CCO)CCO)c2occ(-c3nc(C)cs3)c(=O)c2c1 16756678 BGRBECSUHJNLFS-CQSZACIVSA-N 446.525 2.368 0 40 IEAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccsc1 17907241 TZSRAAMHWIZDRF-UHFFFAOYSA-N 447.991 2.116 0 40 IEAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 18356093 ZMNJMGMHKBULKO-GXTWGEPZSA-N 436.461 2.266 0 40 IEAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)c(=O)[nH]c12 19236468 QKDFZYVMENQNLJ-OAQYLSRUSA-N 434.475 2.432 0 40 IEAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@@H](C)Cn3nc(C)nc3C)C2)C1 19285861 NWQFMHQRGZGYAG-QMHKHESXSA-N 425.533 2.333 0 40 IEAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCC(NC(=O)C4CCCC4)CC3)ccc21 19572465 XWHVIFMWTISNDS-JOCHJYFZSA-N 449.617 2.203 0 40 IEAB COc1cc(CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1O 19723186 ZDZKQJATQYJLCP-UHFFFAOYSA-N 446.500 2.393 0 40 IEAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)[C@H]2CCCO2)CC1 19756265 HBUQNVGHVGDXNA-JOCHJYFZSA-N 440.544 2.319 0 40 IEAB Cc1cc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)ccc1F 22798290 AEDUCCFLJCQEBR-IBGZPJMESA-N 435.521 2.130 0 40 IEAB O=C(NCCN1CCCCC1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 26113424 YRTJKCWLBXIGBZ-JOCHJYFZSA-N 443.569 2.386 0 40 IEAB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 26935515 OFCSHYBOLSXDHQ-KRWDZBQOSA-N 425.485 2.374 0 40 IEAB CCOC(=O)c1ccsc1NC(=O)Cn1nc(C)c(S(=O)(=O)NC(C)(C)C)c1C 32810325 BPTDCWPPBHXEQV-UHFFFAOYSA-N 442.563 2.454 0 40 IEAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1ccccc1 32894316 VDYNVBCCBNNYKK-CQSZACIVSA-N 443.463 2.365 0 40 IEAB CN(CC(=O)NCc1ccco1)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 36394681 LDLBEBIFMGZBDF-CYBMUJFWSA-N 434.290 2.170 0 40 IEAB C[C@H](c1cccc(C(F)(F)F)c1)N(CC(=O)N1CCN(S(C)(=O)=O)CC1)C1CC1 40155727 XSXGJTCBMZSBAF-CQSZACIVSA-N 433.496 2.335 0 40 IEAB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 40390522 FFCCHRGUAWEAME-KBPBESRZSA-N 439.472 2.332 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccc(C(=O)OC)cc2)cc1 44900265 RZYIUTBUUJGTSS-UHFFFAOYSA-N 440.543 2.446 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 59890848 OWWCMSVLVRVHHS-VFNWGFHPSA-N 440.610 2.319 0 40 IEAB COC(=O)c1c(F)ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)c1F 72301195 GPRGSEMJZDPZKE-UHFFFAOYSA-N 440.424 2.025 0 40 IEAB COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)cc(=O)[nH]2)CC1 72399235 MHOGZLMRSSTULE-MOPGFXCFSA-N 442.560 2.185 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccc(F)cc3)C2)CC1 77200352 FIHWQAHGQBFUSN-ROUUACIJSA-N 441.525 2.473 0 40 IEAB COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccccc2-c2ccc(=O)n(C)n2)n1 96025141 TVTWGVSWEORIPG-UHFFFAOYSA-N 443.463 2.318 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)NCCn1nc(-n2ccc3ccccc32)ccc1=O 96119959 RHGFVUXCSCYBEG-UHFFFAOYSA-N 442.472 2.313 0 40 IEAB O=C(OCc1ccccc1)C1=NN[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 101076314 IXCBXTHFNJSSIN-CABCVRRESA-N 428.242 2.010 0 40 IEAB CCOc1ccccc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(C)(=O)=O 216410205 ACHAIMBZYWEPSN-UHFFFAOYSA-N 428.514 2.353 0 40 IEAB CCCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 219988547 HHNCIMRXGOKRCY-UHFFFAOYSA-N 445.541 2.490 0 40 IEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222892548 UCTBNVHZCWXZQU-IBGZPJMESA-N 445.585 2.275 0 40 IEAB CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cccc(OC)c1)S(C)(=O)=O 225275328 KTHUCKANWGFXKJ-QZTJIDSGSA-N 434.514 2.196 0 40 IEAB CCCCCNC(=O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 1889139227 GTWSHKOHTDVOAB-UHFFFAOYSA-N 436.556 2.360 0 40 IEAB Cn1nccc1CN1CCC[C@]2(CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 2056223468 NBNOIEYLJUBUFX-QFIPXVFZSA-N 446.573 2.258 0 40 IEAB CN(C[C@H]1COC2(CN(C(=O)Nc3cccc(F)c3)C2)CS1(=O)=O)C1CCCCC1 2332243035 DAGGVAHOCORDKA-IBGZPJMESA-N 439.553 2.490 0 40 IEAB Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)CC1 1380756 XGJUEKKUPUHQEA-UHFFFAOYSA-N 438.517 2.050 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)ccc1C 7265024 XWWRLAUMGLDZMC-KXBFYZLASA-N 425.576 2.418 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)O 8790459 HORMGZBYZMQGQC-YEPAUEBISA-N 447.557 2.155 0 40 IEAB biogenic C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)N[C@]2(CCc3ccccc32)C1=O 9209015 RMCPMPJZQIQLSS-GYCJOSAFSA-N 434.496 2.244 0 40 IEAB CN1CCN(C2=N[C@@H](c3ccco3)C3=C(N2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 9287452 SOIBYWKZPVULNN-KRWDZBQOSA-N 425.876 2.008 0 40 IEAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2cc(O)ccc2O)cc1 9429084 ICDHQBBISKQVFW-QFIPXVFZSA-N 449.463 2.245 0 40 IEAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)Nc1ccc(N2CCCC2)cc1 9781853 RSVVPVSWULSBBW-UHFFFAOYSA-N 426.498 2.320 0 40 IEAB CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(C)CC2)c2sccc23)cc1 9908932 FBTGIBBGXABGGM-UHFFFAOYSA-N 442.570 2.486 0 40 IEAB COc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc(Cl)c1OCC(N)=O 9958444 ZMNWZIKOYVFPAM-UHFFFAOYSA-N 442.863 2.453 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCCn2cnc3ccccc32)cc1 12534512 MTJMXUBNTZYULE-OAQYLSRUSA-N 442.541 2.405 0 40 IEAB C[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCc1ccc(S(N)(=O)=O)cc1 13557409 ZZXDAQLAOBYIGL-CYBMUJFWSA-N 442.493 2.013 0 40 IEAB Cn1c(=O)n(C)c2cc(NC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)ccc21 14000173 BCPAKFIJVCQBSV-UHFFFAOYSA-N 434.493 2.201 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)CSc3ccc(NC(C)=O)cc3)C2=O)cc1 14108499 PNTAIASVAUOFQY-NRFANRHFSA-N 442.497 2.244 0 40 IEAB COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)ccc1OCC(N)=O 15084858 IAWSLCQENRFFDL-CQSZACIVSA-N 446.467 2.404 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1ccc(OC)c(OC)c1OC)CC2 16048781 MOTBCHGTOGVZRU-UHFFFAOYSA-N 445.468 2.471 0 40 IEAB COCCOc1cc(CN2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)ccc1OC 19593629 WBYDHZBDZLAMJS-UHFFFAOYSA-N 436.512 2.467 0 40 IEAB CNc1nc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)nc2c1CN(C(C)=O)CC2 19710618 HKHVJWRMXZKOCY-MRXNPFEDSA-N 441.507 2.347 0 40 IEAB C[C@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 22228308 XYNMHYLIARWICE-KRWDZBQOSA-N 429.542 2.007 0 40 IEAB COc1ccc(C(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)cc1OC 24877841 NGHSJCOSLGZKQQ-QFIPXVFZSA-N 426.425 2.168 0 40 IEAB O=S(=O)(CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(Cl)cc1 31593965 GCEYLNZHIMRQIN-UHFFFAOYSA-N 442.990 2.261 0 40 IEAB Cc1c(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c(=O)n(-c2ccccc2)n1C 32896096 LVSFHIQJWVXYIR-UHFFFAOYSA-N 433.468 2.188 0 40 IEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N(C)CC(=O)Nc1ccccc1Br 32926818 LVLINNXXYRKHBH-UHFFFAOYSA-N 444.307 2.017 0 40 IEAB CCCN(C)c1nccn2c(=O)n(CC(=O)Nc3ccc(C)cc3Br)nc12 49400406 XQKLYLKLNCTDCP-UHFFFAOYSA-N 433.310 2.447 0 40 IEAB COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2cccc(SC)c2)CC1 56997882 GGNMYMCSOWLSQT-UHFFFAOYSA-N 428.558 2.294 0 40 IEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Oc1ccc(I)cc1 57991725 BJVLDRRXRIBCFG-UHFFFAOYSA-N 436.205 2.290 0 40 IEAB Cc1c(C(=O)Nc2ccccc2F)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 69769862 ZSWMMMQUSIATJX-UHFFFAOYSA-N 429.477 2.285 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cnccn4)sc3C2)c1 77196321 NWUQBUBJBLVJAD-UHFFFAOYSA-N 443.510 2.135 0 40 IEAB CN(C)[C@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1cnn(C)c1 89694684 UCJOZGPBQDULST-GOSISDBHSA-N 437.548 2.261 0 40 IEAB CC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 100033161 ZHZTYZGUSURTFU-QZTJIDSGSA-N 425.832 2.475 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCSc1ccc(Br)cc1 102398185 LYBZSCDXXWSGET-IYVPYFHTSA-N 435.343 2.465 0 40 IEAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 224114102 QIHIUKMNMRDJMZ-KRWDZBQOSA-N 448.541 2.424 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 225247957 OHRLQMQQMPECEF-UHFFFAOYSA-N 444.513 2.333 0 40 IEAB O=C(Nc1nnc(S(=O)(=O)NCCCN2CCCC2)s1)c1ccc(Cl)cc1 225418695 HWNIILYHUCBQFF-UHFFFAOYSA-N 429.955 2.208 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cc(C)ccc2OC)CC1 408595518 SBDCWQMWRRVMCG-KRWDZBQOSA-N 447.557 2.028 0 40 IEAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2C)cc1 409330812 MWXHAPCKQQXVTR-UHFFFAOYSA-N 441.513 2.493 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@@H](CN2CC[C@@H](C)[C@H](O)C2)C3)c1 585103142 DNERTBHOYFIEJY-ZPMCFJSWSA-N 432.561 2.418 0 40 IEAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)Nc5ccc(F)cc5)C[C@H]4C3)ncnc21 1888930697 VAVSEXNDANHIBZ-GASCZTMLSA-N 425.468 2.212 0 40 IEAB COc1ccc2cc([C@@H](C)C(=O)OCCOCC(=O)OCCOCC(=O)O)ccc2c1 2060999981 JPWJDJMZNRPSEA-OAHLLOKOSA-N 434.441 2.156 0 40 IEAB COC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)CC1 2655463 FDRCYBZAJAKICA-UHFFFAOYSA-N 440.905 2.437 0 40 IEAB COc1cccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1 3318634 STJJSOUPDNDXBY-UHFFFAOYSA-N 438.527 2.339 0 40 IEAB COc1ccccc1N1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)CC1 8635631 RIRIZOIUVIFXDY-PCCBWWKXSA-N 429.609 2.235 0 40 IEAB biogenic,in-vitro Cc1ccccc1NC(=O)Cc1nc(COC(=O)CCN2C(=O)NC(C)(C)C2=O)cs1 8728428 UQHIMNZXCDVKTC-UHFFFAOYSA-N 444.513 2.396 0 40 IEAB COc1ccccc1/C=C1\SC(=O)N(CC(=O)N[C@@H](CO)Cc2ccccc2)C1=O 9216191 FFBHFLJEPULARZ-UEXNTNOUSA-N 426.494 2.451 0 40 IEAB COc1ccc(C(=O)N(C)Cc2cccc(OC)c2OC)cc1S(=O)(=O)NC1CC1 9376825 KQSVADFVTINQFF-UHFFFAOYSA-N 434.514 2.425 0 40 IEAB Cc1sc2ncnc(SCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)c2c1C 9507976 MUBXWBCOGQUVME-UHFFFAOYSA-N 433.559 2.382 0 40 IEAB O=C(Cc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9570019 OKJBFKQVNSGVAC-UHFFFAOYSA-N 439.940 2.290 0 40 IEAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 9664780 VJAYMJBXCLJUPU-UHFFFAOYSA-N 432.498 2.120 0 40 IEAB CCc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(C(=O)OC)Nc3nnnn32)cc1 10232180 WZFYIMCAQRKFQL-SFHVURJKSA-N 434.412 2.469 0 40 IEAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)N[C@H]1CCS(=O)(=O)C1 10345495 CYAFFXJYKOVPIF-HNNXBMFYSA-N 448.595 2.450 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)C1=O 11904893 XQXDTYWULXBOTF-GFCCVEGCSA-N 428.919 2.131 0 40 IEAB COc1ccc(CC(=O)N2C[C@@H](C(=O)NC(C)(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)cc1 12126685 VZUOSGQYSUFRGR-HFZDXXHNSA-N 449.551 2.336 0 40 IEAB COc1ccc(CNC(=O)COC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)cc1OC 12531370 CJYYNPCRTLFXAG-NRFANRHFSA-N 446.475 2.457 0 40 IEAB O=C(O)c1ccc(CSCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 12779024 JKXLIUOIJHJXKJ-UHFFFAOYSA-N 448.566 2.292 0 40 IEAB C[C@@H]1C[C@@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 12991689 FFIWUAONJFGNPJ-HUUCEWRRSA-N 431.961 2.290 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(OC)c1 12993641 FYSCALJAFFBFKX-PKNBQFBNSA-N 430.526 2.391 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)COC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 13057796 NDOURIKLBDWWLT-CYBMUJFWSA-N 449.485 2.402 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4cccnc4)n(C)c3=S)CC2)cc1 13063556 YHJLSTPDKXEOAY-UHFFFAOYSA-N 444.586 2.286 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)ccc1Cl 13148072 NBYSDQOWTGTFCV-UHFFFAOYSA-N 442.877 2.061 0 40 IEAB Cc1cccc(-n2nnnc2SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 13394292 QUOFYOAJNBEHBI-SFHVURJKSA-N 436.497 2.356 0 40 IEAB O=C(Cn1c(=O)n(CCC(=O)N2CCCCC2)c(=O)c2sccc21)NC1CCCCC1 13606985 SKJYIGYMMSPOSP-UHFFFAOYSA-N 446.573 2.076 0 40 IEAB CN(CC(=O)Nc1ccccc1Br)C(=O)Cn1c(=O)n(C)c2ccccc21 14280837 IFCZVTDNOSSSQN-UHFFFAOYSA-N 431.290 2.200 0 40 IEAB Cc1ccc2c(Cl)cc(Cl)c(OS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c2n1 15323900 BWRSTOSJDSVCHH-UHFFFAOYSA-N 430.269 2.015 0 40 IEAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1ccccc1Cl 17177930 GBIQQJBXGQETMX-KRWDZBQOSA-N 431.876 2.197 0 40 IEAB O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(N2CCCC2=O)c1 18085313 KLDPLUHGSNPTLD-UHFFFAOYSA-N 444.509 2.191 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@H](c2nc(Cc3cccs3)no2)C1 19343827 JVGWVRGDRZXVPS-KRWDZBQOSA-N 449.510 2.255 0 40 IEAB C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCc2ccccc21 21330287 ZMZASKSRZSYCHF-OAHLLOKOSA-N 434.489 2.357 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN(C)Cc3c(F)cccc3Cl)C2=O)cc1 22060301 IKJMWELGHZPUHJ-OAQYLSRUSA-N 448.882 2.418 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 22962856 NEUBPJYCFFOXSL-LJQANCHMSA-N 432.542 2.139 0 40 IEAB COc1ccc(S(=O)(=O)NCCC(=O)OCc2nc3ccccc3nc2C)cc1OC 32689209 IVPYQRXWWDHSRT-UHFFFAOYSA-N 445.497 2.367 0 40 IEAB C[C@@H](C(=O)NC1CCCCCC1)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 32796746 HCTOVQGPYDIOIB-HNNXBMFYSA-N 430.592 2.079 0 40 IEAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(NC(=O)c2ccccn2)CC1 32928220 AXMLPTQZEQZLIR-HXUWFJFHSA-N 426.492 2.396 0 40 IEAB CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC1CCCC1 40140701 HBNWHHIOMCZVCR-UHFFFAOYSA-N 426.535 2.392 0 40 IEAB Cc1c(C(=O)NCC(=O)N(C)Cc2ccncc2)cnn1-c1ccc(C(F)(F)F)cn1 58172076 XCUPGSMJLPMYIN-UHFFFAOYSA-N 432.406 2.378 0 40 IEAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 61718994 GWDJGTUFVNPYNO-QGZVFWFLSA-N 441.484 2.270 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)C1 90591866 HSYLMNJVGMMVPD-MSOLQXFVSA-N 427.505 2.458 0 40 IEAB COc1cc(/C=C/C(=O)N2CCCSC[C@H]2CN2CCOCC2)cc(OC)c1OC 90609072 KNWKLEACNLUAOQ-DUMMIQTOSA-N 436.574 2.392 0 40 IEAB NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 95941401 TWHVQNKFGBEJOT-CABCVRRESA-N 428.455 2.114 0 40 IEAB CCn1nc([C@@H](C)C(=O)N2[C@@H]3CC[C@@H]2Cc2c(O)nc(C)nc2C3)c2ccccc2c1=O 100219916 RQGCFOASUHLCHF-FVQBIDKESA-N 433.512 2.482 0 40 IEAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 216247572 UHUWABICKQBBSH-UHFFFAOYSA-N 431.514 2.299 0 40 IEAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3CN3CCOCC3)ccc21 225698909 XNIJUCILFWYKEX-UHFFFAOYSA-N 447.582 2.394 0 40 IEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)NCC(=O)N1CCCCC1)NC2=O 247934343 GPJNWSOXGIIADN-JONRRIDBSA-N 441.528 2.079 0 40 IEAB CC(=O)N1CCC[C@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 248021815 RKGBEDJZRZNOIE-AYPBNUJASA-N 432.540 2.404 0 40 IEAB Cn1nccc1C(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 257201515 AHYMWKPYOWMISB-QHCPKHFHSA-N 444.507 2.110 0 40 IEAB CCS(=O)(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)C3)C1 257307782 TUCLGFWYGUPRHX-GOSISDBHSA-N 428.558 2.446 0 40 IEAB CNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3cc(OC)ccc3OC)C2)nc1C 257331527 XTGOUJKNSWZELN-MRXNPFEDSA-N 426.517 2.419 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)c1 260743605 NDIHNOYWYMWMFU-JLTOFOAXSA-N 434.514 2.417 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3ncn[nH]3)C2)c(C)c1 260752245 XVVJURWWVBKAJF-INIZCTEOSA-N 437.591 2.039 0 40 IEAB O=C(NC1CC2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)C1)[C@H]1CCCS1(=O)=O 585102766 DZFXNSNKKQAPHU-OAQYLSRUSA-N 442.585 2.310 0 40 IEAB NC(=O)c1cc(C(=O)N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)c[nH]1 614025408 CWCPOVZANKQUMI-UHFFFAOYSA-N 432.480 2.291 0 40 IEAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@@H](CNC(=O)c1cc(C3CC3)on1)OC2 1614940581 HAVPYOMCCJXBRE-INIZCTEOSA-N 435.484 2.087 0 40 IEAB Cc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccccc2C)cc1 850884 FGRAEEHAXXCDCT-GOSISDBHSA-N 449.511 2.092 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 1426154 KDJZEAYXXGMXNW-SFHVURJKSA-N 445.497 2.208 0 40 IEAB COc1ccc(Cc2nn3c(=O)/c(=C/c4sccc4C)sc3nc2=O)cc1OC 2263072 HFMJRJALKCWEHD-YVLHZVERSA-N 427.507 2.037 0 40 IEAB CC(C)OC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 2342552 NIPBFHZVDSICPU-UHFFFAOYSA-N 425.470 2.369 0 40 IEAB CCCCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3537040 BTJJQDWODYPTEU-UHFFFAOYSA-N 427.549 2.361 0 40 IEAB COC(=O)c1ccc([C@H]2[C@H](C(=O)OC(C)C)[C@@](C)(O)CC(=O)[C@@H]2C(=O)OC(C)C)cc1 4112403 CZCYWGTVNNUEQB-KCESLBEFSA-N 434.485 2.416 0 40 IEAB CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@@H]3CCCO3)cc2c1 6196616 MHNINFMFLUGGMQ-IBGZPJMESA-N 432.590 2.344 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1ccccc1 8818841 ZZXRFTITDHQAAF-FNGUVFISSA-N 448.500 2.334 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 8855625 NECOWDTWHIJDFA-UHFFFAOYSA-N 440.525 2.418 0 40 IEAB CCn1c(=O)c(C(=O)CN2CCC[C@H]2c2cccn2C)c(N)n(Cc2ccccc2)c1=O 9664853 WTLZZQATEPUBJS-IBGZPJMESA-N 435.528 2.019 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c1 9960527 YYCFYTXRMZJEFH-UHFFFAOYSA-N 438.461 2.361 0 40 IEAB Cc1cc(C(=O)COC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C)n1C1CC1 10021640 VEFZMZMIFXNBSO-ZDUSSCGKSA-N 429.498 2.293 0 40 IEAB Cc1cnc2c(c1SCC(=O)Nc1ccc(Br)cc1)c(=O)n(C)c(=O)n2C 10216522 KONOPRMYLNUBEH-UHFFFAOYSA-N 449.330 2.434 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cccc(C(=O)NC2CC2)c1 11549763 YLYBQBQRHDKVRE-UHFFFAOYSA-N 430.530 2.188 0 40 IEAB COc1ccc([C@H](NC(=O)CN(C)S(=O)(=O)c2cccs2)c2nccn2C)cc1 12547545 VOKWTJXDVDQKPJ-SFHVURJKSA-N 434.543 2.017 0 40 IEAB Cn1c(=O)c2ccccc2n2c(CN3C(=O)N[C@]4(CCCCc5ccccc54)C3=O)nnc12 12610141 IQRATNCONJQYHP-DEOSSOPVSA-N 442.479 2.255 0 40 IEAB CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 12791394 LVVYGRIRKVDBCQ-UHFFFAOYSA-N 437.562 2.133 0 40 IEAB CSCC[C@H](NC(=O)c1ccccc1C(=O)O)C(=O)NCc1ccc(C(=O)O)cc1 12938710 CMXRZMDGDXJJDX-KRWDZBQOSA-N 430.482 2.251 0 40 IEAB COc1ccc(CC(=O)N(C)Cc2cccc(F)c2)cc1S(=O)(=O)N1CCOCC1 13010802 IBXMOJVZPDVQGZ-UHFFFAOYSA-N 436.505 2.056 0 40 IEAB O=C(c1cc(Br)ccc1O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 13100788 SYXFJJXIRTVCCS-UHFFFAOYSA-N 439.331 2.443 0 40 IEAB Cn1c(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)nc2sccc2c1=O 13418137 YWWSVZRWWYRUFQ-OAHLLOKOSA-N 442.522 2.381 0 40 IEAB COc1ccc(Cl)cc1N(CC(=O)NCCCN1CCCCCC1)S(C)(=O)=O 13674297 DEZPKQZHTVBHRZ-UHFFFAOYSA-N 431.986 2.497 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cc3cc(OC)ccc3n2C)C(C)C)CC1 13729787 ZTSAKFAKBMWQKU-FQEVSTJZSA-N 444.532 2.242 0 40 IEAB CS(=O)(=O)CC[C@@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 14241524 NYHHQZZHIQWABS-HNNXBMFYSA-N 443.506 2.334 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19692781 HFGQSKQNQYLPCU-SFHVURJKSA-N 437.541 2.309 0 40 IEAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)cc1OC)C3 19816921 SDRAKGRQDYSNMA-LLVKDONJSA-N 428.470 2.319 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2ccc(Cl)cc2)cc1 19999969 LWAXJASVEDDWNO-UHFFFAOYSA-N 437.949 2.318 0 40 IEAB CCOc1ccccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20769110 RMCBSZSMRPPOID-UHFFFAOYSA-N 431.514 2.125 0 40 IEAB CCOC(=O)c1cc(C)n(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C 20902382 CZLVSXAWVYYSQK-UHFFFAOYSA-N 427.501 2.355 0 40 IEAB Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccc(Cl)cc1 21730721 GFKBFDVZVRELIP-UHFFFAOYSA-N 441.850 2.376 0 40 IEAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 32671889 QRNYDJLWECPANH-QGZVFWFLSA-N 445.401 2.485 0 40 IEAB COc1cc(C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2)cc(Cl)c1OC 36806723 ZGLDHHBDEIYOFZ-UHFFFAOYSA-N 442.903 2.323 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc1 40115582 KPYHFVQTLFMLRK-UHFFFAOYSA-N 435.531 2.099 0 40 IEAB O=C(CCNC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)Nc1ccc2c(c1)OCO2 43732622 MRPIOFJXHSQNOR-VFNWGFHPSA-N 425.466 2.130 0 40 IEAB CCOC(=O)c1sc(NC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)nc1C 72325457 OZZRMCNEIYOHLR-HNNXBMFYSA-N 442.497 2.218 0 40 IEAB biogenic Cc1cc(C)n([C@@H](C)CC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338838 CSPGFEGRXJMPOI-KKSFZXQISA-N 431.562 2.420 0 40 IEAB COCCNC(=O)Cn1cc(NC(=O)COc2ccccc2OCc2ccccc2)cn1 78874731 IICKBCNEMGGLMJ-UHFFFAOYSA-N 438.484 2.242 0 40 IEAB CC(=O)Nc1cc(NC(=O)c2ccccc2CN2C(=O)CNC2=O)ccc1Cl 97325210 UPJVGPLECXTABN-UHFFFAOYSA-N 400.822 2.603 0 40 IEAB CCCC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)CCOC)nn3c(O)c2C1 100234711 VSGXGEVLQAKRGW-GOSISDBHSA-N 429.521 2.210 0 40 IEAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)c1 224142272 QIMQEONSFJPRSS-UHFFFAOYSA-N 431.558 2.272 0 40 IEAB C[C@@]1(C2CCN(C(=O)CCn3nc(O)ccc3=O)CC2)CN(c2ccc(F)cc2)C(=O)O1 257291414 QGWGCJNRZSUUKK-QFIPXVFZSA-N 444.463 2.132 0 40 IEAB Cc1cccc(N([C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 260892745 FLMDODCBVRUEJD-LJQANCHMSA-N 445.585 2.298 0 40 IEAB Cc1ccc(CC(=O)N2CC[C@@H]3Cn4c(nn(Cc5cccc(F)c5)c(=O)c4=O)[C@@H]3C2)cc1 306137494 QXSYNADOPGDMOZ-TZIWHRDSSA-N 448.498 2.089 0 40 IEAB CCc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)cc1 408615171 MVEXUPMNSKRQKC-AEFFLSMTSA-N 439.512 2.116 0 40 IEAB Cc1ccc(CN(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 408620113 KKIJPDQBZQIZGC-UHFFFAOYSA-N 445.585 2.024 0 40 IEAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc(Br)cc1 408656565 FPVAKASDQJOARY-BMEPFDOTSA-N 449.301 2.352 0 40 IEAB CCOC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1 606301540 IKVZNRKXMFMKNF-QGZVFWFLSA-N 447.536 2.099 0 40 IEAB CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)OC[C@@H](O)CO)C(=O)C[C@H]1O 622788422 RJXVYMMSQBYEHN-KLAUYEDNSA-N 426.550 2.063 0 40 IEAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H]3CCCN(Cc4cccnc4)C3)CCOCC2)o1 1547139754 ZRBBBGDFHOENDB-IBGZPJMESA-N 441.528 2.268 0 40 IEAB biogenic CCOC(=O)C(=Cc1cc(N)cc(C=C(C(=O)OCC)C(=O)OCC)c1)C(=O)OCC 3844936 IZQLFICGCYHSPI-UHFFFAOYSA-N 433.457 2.288 0 40 IEAB biogenic CCCNC(=O)CSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)s1 8906685 IBMJTXIGSXOSKE-GFCCVEGCSA-N 449.558 2.157 0 40 IEAB CC(C)CN(C(=O)COC(=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 9049334 UIRLMCQTWPIQHW-OAHLLOKOSA-N 432.336 2.278 0 40 IEAB O=C(CSc1nc(-c2ccncc2)n[nH]1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 9550103 JWHZLPIYUMJZPM-INIZCTEOSA-N 429.527 2.179 0 40 IEAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 10216633 XLIYJJJNRAGQIF-KSFYIVLOSA-N 427.457 2.428 0 40 IEAB Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1CCCN(C)C 10233395 SPMCDZJFXKWPTG-UHFFFAOYSA-N 428.924 2.111 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc2c(c1)OCCCO2 11759854 NBIJXAYUDFEOKA-UHFFFAOYSA-N 448.497 2.130 0 40 IEAB CC(C)c1nc2oc3c(=O)n(CC(=O)N4CCOCC4)cnc3c2c2c1COC(C)(C)C2 12324778 XJFMHQWYBOQRGU-UHFFFAOYSA-N 440.500 2.371 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1OC 12443485 XYZUDFMORVRJCT-UHFFFAOYSA-N 441.513 2.067 0 40 IEAB CCCCc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1 12627243 URLMMOPHOCUXFN-UHFFFAOYSA-N 426.502 2.025 0 40 IEAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 12913513 GEOJRMKQAWZLQB-QGZVFWFLSA-N 434.968 2.005 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 13669253 MZCDNSZFOJQLGI-UHFFFAOYSA-N 436.486 2.285 0 40 IEAB CC(=O)N1CCN(C(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(-c3ccc(F)cc3)on2)CC1 15673276 QZBXSRAUGWBSFM-OALUTQOASA-N 428.508 2.330 0 40 IEAB biogenic,in-vitro COCCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(S(C)(=O)=O)ccc21 16943001 JOERVIXUDIKOPH-MRCUWXFGSA-N 448.522 2.265 0 40 IEAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCn2nc(O)c3ccccc3c2=O)c1 18105205 SPOFBIVKLSUJFS-UHFFFAOYSA-N 444.513 2.208 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2oc(C)nc2C)CCO1 19702926 GJWXZSFQYFPPIL-HNNXBMFYSA-N 444.513 2.491 0 40 IEAB CNC(=O)c1cc([C@@H]2CCN(C(=O)c3ccnc(N4CCOCC4)c3)C2)nc2ccccc12 19756884 WMPOHRJUEXTDBG-GOSISDBHSA-N 445.523 2.456 0 40 IEAB O=C(Cn1nc(S(=O)(=O)c2ccccc2)ccc1=O)Nc1ccc(Br)cc1 23126261 NAPBFUDCCDKXOQ-UHFFFAOYSA-N 448.298 2.477 0 40 IEAB Cc1cc(C)n2c(CNC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)nnc2n1 24971499 PGUQGTQJJRAQRH-UHFFFAOYSA-N 442.545 2.154 0 40 IEAB NC(=O)[C@H](c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl 34447027 ASCDSDXZLHMPQY-CQSZACIVSA-N 425.659 2.498 0 40 IEAB COC(=O)c1sccc1NC(=O)CN1CCCN(Cc2ccc(C)cc2)S1(=O)=O 35447208 PJLDCPHRWLXVED-UHFFFAOYSA-N 437.543 2.234 0 40 IEAB COc1ccc(CNC(=O)CCn2nc(-c3ccc4c(c3)OCO4)ccc2=O)cc1OC 41253846 YECNJUKFPNDTAP-UHFFFAOYSA-N 437.452 2.363 0 40 IEAB CCOC(=O)C1CCN(CC2=C(C(=O)OC)[C@@H](c3cccc(Cl)c3)NC(=O)N2)CC1 67285559 VUXWSNYPOWTUBR-GOSISDBHSA-N 435.908 2.396 0 40 IEAB CCc1c(C)nc2cc(-c3cc(C)oc3C)nn2c1N1CCN(S(=O)(=O)N(C)C)CC1 72337457 MZCNEUDGIZOLNJ-UHFFFAOYSA-N 446.577 2.405 0 40 IEAB NC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)o3)c2)nn1 89780571 JTOWZNCCCWCJAE-UHFFFAOYSA-N 430.218 2.436 0 40 IEAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(N2CCCS2(=O)=O)cc1 95479660 ZEFUSZOGARGLNG-GOSISDBHSA-N 442.497 2.345 0 40 IEAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2cccc(C)c2)CC3)C1=O 96144436 GHBABAYMQHOJMG-XMMPIXPASA-N 426.561 2.453 0 40 IEAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1 100201118 HZZJUWRRGHAJJE-IAGOWNOFSA-N 441.557 2.116 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 220671474 HZSVHFAYSMPGJF-IBGZPJMESA-N 440.562 2.432 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 225699652 QUOBHYAHJUDWPR-UHFFFAOYSA-N 436.530 2.428 0 40 IEAB O=C(C[C@H]1CN(C(=O)c2ccno2)CC[C@@H]1Oc1ccc(Cl)cc1)N1CCOCC1 257281241 OOGSGNHOFNAARI-YJBOKZPZSA-N 433.892 2.487 0 40 IEAB CC(=O)N[C@@]12CCNC[C@@H]1[C@@H](c1ccccc1)N(C(=O)c1ccc(OCCCN)cc1)C2 257307118 SXHHVCCCCLWIGD-VDKIKQQVSA-N 436.556 2.096 0 40 IEAB CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccnc3OC)CC1)COC2 306125485 CSGUCSLYQBCWMX-INIZCTEOSA-N 428.537 2.023 0 40 IEAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(C(=O)O)cc3)c2=O)=N1 409037101 MYKROSHTRIGAHE-MTGKDYNDSA-N 448.500 2.497 0 40 IEAB O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 514289454 LHKIBNMQXQZPLY-WOJBJXKFSA-N 446.473 2.246 0 40 IEAB biogenic,in-vitro OC1(CN2CCOC[C@@](O)(COc3ccccc3)C2)CCN(c2ccccc2F)CC1 585286714 HXSNSPLKETWIQY-XMMPIXPASA-N 430.520 2.299 0 40 IEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3ncc[nH]3)[C@H]21 604404929 JLRVTDUHKASOJZ-IBGZPJMESA-N 433.424 2.180 0 40 IEAB biogenic COCCn1cnc2c(N3C[C@H]4CN(C(=O)Nc5c(F)cccc5F)C[C@H]4C3)ncnc21 1888941724 IEHYJYVXSSTAAC-OKILXGFUSA-N 443.458 2.351 0 40 IEAB COc1ccc(N2C(=O)NC(=O)/C(=C(\C)NCc3cc(OC)cc(OC)c3)C2=O)cc1 1283069 MOLJTNOYOCNSDO-UYRXBGFRSA-N 425.441 2.359 0 40 IEAB O=C1c2cccc3c(NC(CO)(CO)CO)ccc(c23)C(=O)N1c1ccc(Cl)cc1 3045195 FSPUENFUJXUDEA-UHFFFAOYSA-N 426.856 2.421 0 40 IEAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 9218654 GFONDSWULVXUHW-FQEVSTJZSA-N 444.532 2.238 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 9846175 ZXPDGILULDXWKJ-UHFFFAOYSA-N 439.559 2.122 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1nc(C)cs1 10555628 RXYIHKLXOTWMIL-ZDUSSCGKSA-N 443.572 2.261 0 40 IEAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 11998163 VXUCOJYGQFJTAY-HXUWFJFHSA-N 427.526 2.320 0 40 IEAB CC[C@@H]1CCCCN1C(=S)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 12656147 WRXJRLLBNKYCRW-MRXNPFEDSA-N 439.603 2.295 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)CC2)c1 12768656 AZYGCLURTYAFKZ-SFHVURJKSA-N 445.516 2.401 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 12972045 RBGNLADSXWCENV-MRXNPFEDSA-N 435.571 2.167 0 40 IEAB Cc1c(Cl)cccc1NC(=O)[C@@]1(CC(=O)O)CC(c2ccccc2OCC(N)=O)=NO1 13591754 FCVLTBTWMBIWNC-NRFANRHFSA-N 445.859 2.489 0 40 IEAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1c(C(=O)N3CCOCC3)oc3ccccc13)CS2 14672475 IGMQASDDVRTHJS-SZNDQCEHSA-N 429.498 2.298 0 40 IEAB CCn1cc(S(=O)(=O)N2CCN(Cc3cccc(Br)c3)CC2)c(C)n1 17095335 GXWMJENINZHVOL-UHFFFAOYSA-N 427.368 2.480 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O 19699934 LAODDKUULTXRKI-LJQANCHMSA-N 430.524 2.156 0 40 IEAB CN1CCN(C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)[C@@H](c2ccccc2)C1 19751199 KBICWGJJOFIUJD-GOSISDBHSA-N 437.525 2.072 0 40 IEAB COc1ccccc1CNC(=O)c1ccc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)nc1N 19765777 KUAHUSCVIRGJKQ-NRFANRHFSA-N 438.528 2.487 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(C(F)(F)F)n(C)c3=S)CC2)cc1 21322061 ZFVOMLQPUKJLFR-UHFFFAOYSA-N 435.497 2.242 0 40 IEAB COc1ccccc1NC(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 22250106 TVFCNFIYDBYYTA-UHFFFAOYSA-N 440.905 2.387 0 40 IEAB Cc1ccc(C)c(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 22329063 WJIUHBRUPHGTKW-MRXNPFEDSA-N 438.571 2.350 0 40 IEAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(C(C)=O)CC2)c(OC)c1 22627502 DPNNEZITZTWOGD-QGZVFWFLSA-N 431.518 2.076 0 40 IEAB CC(C)(C)c1cc(NC(=O)Cn2c(=O)oc3ccccc32)n([C@@H]2CCS(=O)(=O)C2)n1 22698498 SXIADJARMZSQHK-CYBMUJFWSA-N 432.502 2.087 0 40 IEAB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 25058669 SNZDAURGCIJDBS-OAQYLSRUSA-N 436.556 2.433 0 40 IEAB C[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccc(C(F)(F)F)c1 32983516 WCNSBIANSZGTIX-BXUZGUMPSA-N 431.436 2.048 0 40 IEAB O=C(Cn1nc2c(Oc3ccccc3)nccn2c1=O)N1CCN(c2ccccc2F)CC1 49008462 UTJHHWYCAZYGQW-UHFFFAOYSA-N 448.458 2.171 0 40 IEAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 57992633 FBBBUGCSCQZXGQ-NRFANRHFSA-N 449.490 2.411 0 40 IEAB CCCN(CC)c1ccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 72278808 REKMWSAORCBPFQ-UHFFFAOYSA-N 428.577 2.499 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)NC[C@H](C)C(=O)OC(C)C)c(Br)c1 72307398 WVBQRAOCFUVOQM-NSHDSACASA-N 436.324 2.492 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3C[C@H](O)C[C@@H]3c3ccc(F)cc3)C2=O)cc1 95455865 RYWZYJKJTCLJTG-PWHSHALESA-N 425.460 2.236 0 40 IEAB COc1cc(CNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc(OC)c1OC 220317010 TUHYIBUQRBWZHZ-CYBMUJFWSA-N 440.493 2.322 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1I 223649728 BXLBIFIAOKRLMZ-UHFFFAOYSA-N 432.239 2.200 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)Cc1ccccc1Cl 225012334 RFYFIDUVEKODIV-UHFFFAOYSA-N 434.905 2.468 0 40 IEAB O=C(NC1CCCCC1)[C@H]1[C@@H]2C(=O)N(C3CC3)[C@@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 245230458 SERHDJBFTOPWOL-JWEZWNSLSA-N 441.572 2.197 0 40 IEAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)c(Br)c(Cl)c1O 408549271 RULHMYLXAROJGO-XBXARRHUSA-N 433.642 2.273 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704509 OTDCHJJVRUOZQG-AWEZNQCLSA-N 448.497 2.428 0 40 IEAB Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)C2)n1 542793043 QJNNUFUIJPUYHN-PZJWPPBQSA-N 445.589 2.242 0 40 IEAB CN1c2ccc(F)cc2N(CCNC(=O)C2(c3ccccc3)CCOCC2)S1(=O)=O 575610876 BYGZWQYXGWKGLS-UHFFFAOYSA-N 433.505 2.191 0 40 IEAB CCCn1cc(Cl)c(C(=O)NS(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)n1 585272792 OSBNGZCDLCSLGO-JTQLQIEISA-N 426.882 2.093 0 40 IEAB NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)cc1 624050375 XVFQZNRYSFCFAN-UHFFFAOYSA-N 431.445 2.356 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 913846 KFSUOSXVNHSLDK-UHFFFAOYSA-N 444.509 2.196 0 40 IEAB CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccccc1 3558316 XKJVLHQBQBNWDG-FQEVSTJZSA-N 448.479 2.477 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)O 8790460 HORMGZBYZMQGQC-HFRMIMLQSA-N 447.557 2.155 0 40 IEAB biogenic CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 9668194 VVHISCRNPSCXBN-NHSMTEEKSA-N 437.606 2.350 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCCc1ccc(F)cc1 9910203 QPPDPWKIIIHSPW-FQEVSTJZSA-N 436.505 2.259 0 40 IEAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 10431285 KXIPLPUFRJYUFJ-UHFFFAOYSA-N 426.304 2.375 0 40 IEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 12140129 GNVPOOCKJAUIAR-ZDUSSCGKSA-N 427.482 2.386 0 40 IEAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1nc(-c2ccc(F)cc2)no1 12779694 FBNPQLOYYCYDTP-UHFFFAOYSA-N 444.444 2.438 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)CCN2C(=O)COc3ccccc32)cc1 12901409 DXWYIEJKLAKINL-AWEZNQCLSA-N 425.441 2.331 0 40 IEAB NC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)sc2c1CCCC2 12946106 SQKMLUKRAKWWTA-QFIPXVFZSA-N 438.509 2.058 0 40 IEAB O=C(COC(=O)c1ccc(I)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 13016456 GUTQGLSJLUBDHJ-UHFFFAOYSA-N 437.193 2.256 0 40 IEAB O=S(=O)(CCc1ccncc1)N1CCO[C@H](c2nc(Cc3ccccc3F)no2)C1 19349720 JSDUCWANPSKTHK-SFHVURJKSA-N 432.477 2.140 0 40 IEAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cc(C(C)C)n[nH]3)[nH]c2=O)C1 19499119 IRQKIRZSGJCBMC-SFHVURJKSA-N 426.521 2.279 0 40 IEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(Cc2cccc(F)c2)C[C@@H]1C(=O)N(C)C 19580949 OATGHQKIYQBDPK-QPPBQGQZSA-N 425.504 2.469 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN(CC(=O)Nc3ccccc3F)C2)n1 19709570 FPCKNMAUPGCTBC-KRWDZBQOSA-N 442.539 2.478 0 40 IEAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(CC(=O)N(C)C1CCCCC1)CC2 19710555 VTLVOXARTUJAND-SFHVURJKSA-N 442.608 2.393 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2-n2ccnc2C)ccc1OC 20049268 YXHIUJQHRNFNHB-UHFFFAOYSA-N 428.514 2.418 0 40 IEAB Cc1cn2c(=O)c(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)c(C)nc2s1 20921904 AOUMJGGULBKROY-UHFFFAOYSA-N 432.571 2.316 0 40 IEAB Cc1ccc(CN(C)C(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c(C)c1 22935392 DGWYAYDJCMDQRO-NHCUHLMSSA-N 428.621 2.384 0 40 IEAB C[C@H](CNC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 31594300 ITUSURFCVFNVFG-UXHICEINSA-N 429.586 2.442 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2nnc(SCc3nnnn3-c3ccccc3)n2c1 32858538 DRTSDFXUIYUCKR-UHFFFAOYSA-N 444.546 2.028 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44908767 YYCLHMPWUGCVTD-FOIQADDNSA-N 434.514 2.196 0 40 IEAB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN([C@]1(C)CCS(=O)(=O)C1)CO3 57160203 YBDDZQUVZSOMLR-JOCHJYFZSA-N 449.525 2.326 0 40 IEAB CCn1cc(C(=O)NCC(C)C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 67338453 PKYXWEKAPWEAGC-UHFFFAOYSA-N 447.605 2.417 0 40 IEAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 95385662 IFUJJQGQANTTID-QUCCMNQESA-N 427.570 2.485 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 95958148 FPFCGCVIZCBDLP-YHUYYLMFSA-N 444.484 2.262 0 40 IEAB Cc1cnc(C(=O)N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC4CC4)[C@H]3CC2)cn1 96145901 JSZKZIBPBKKQKV-OALUTQOASA-N 442.541 2.252 0 40 IEAB O=C(NC1CCCC1)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCC2)N(C2CCCC2)C(=O)[C@H]13 100430727 AJUGEODEELKVEN-OAIJQJBHSA-N 441.572 2.197 0 40 IEAB COc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102076241 VOFDLUPQNFQHCU-JMOBLLKWSA-N 437.492 2.499 0 40 IEAB NS(=O)(=O)c1cccc(N/C=C2/C(=O)N(c3nccs3)C(=O)c3ccccc32)c1 102397183 SKVNPQFGDFTQMV-LFIBNONCSA-N 426.479 2.431 0 40 IEAB Cc1cccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)[nH]c4n3)CC2)c1 102621600 WMADNMNTUMGKEN-UHFFFAOYSA-N 428.496 2.351 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)Cc2ccccc2Cl)cc1 224230991 AGRDTTHHZNYEGD-UHFFFAOYSA-N 432.951 2.089 0 40 IEAB COc1ccc(O[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224309783 YLDXLYXTGNEROC-QGZVFWFLSA-N 448.541 2.442 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225421135 VKFWPUANUFFLTH-INIZCTEOSA-N 435.521 2.063 0 40 IEAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1 253472375 LXPBTSMRBGBAKO-CQSZACIVSA-N 426.347 2.145 0 40 IEAB O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1cnn2cccnc12 257268452 MLSPITIMSBIKIA-TZBSWOFLSA-N 449.555 2.033 0 40 IEAB Cc1cc(-c2cncnc2)cc([C@H]2CN(C(=O)CCn3c(C)cc(C)nc3=O)CCO2)n1 257341929 ZMLXAZCFORXSPA-OAQYLSRUSA-N 434.500 2.011 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408608841 PXVRLSSSHZSWES-NSHDSACASA-N 426.878 2.441 0 40 IEAB O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 514289452 LHKIBNMQXQZPLY-VQTJNVASSA-N 446.473 2.246 0 40 IEAB biogenic,in-vitro Cn1cc(C(=O)N2CCCCC3(CO)CCN(CC3)C(=O)c3ccccc3OCC2)cn1 643579144 UTPYQPRXLSRJOC-UHFFFAOYSA-N 440.544 2.340 0 40 IEAB COc1cc(=O)n(C)cc1C(=O)N(C)C1CN(c2ncnc(-c3ccc(F)cc3)c2F)C1 1775978973 WSOHJYALAJHUKI-UHFFFAOYSA-N 441.438 2.090 0 40 IEAB Cc1ccc2[nH]nc(C(=O)N3CCN(C)[C@@H](C(=O)NCCOc4ccccc4C)C3)c2c1 1848353554 XYPZDLYWMTYBNV-HXUWFJFHSA-N 435.528 2.131 0 40 IEAB CC(C)NC(=O)N[C@@H]1C[C@H](C(=O)NCc2ccccc2)[C@@H](O)[C@H]1c1cnc(C2CC2)[nH]1 2332241960 WHCDKRGVCICCFU-ONCXSQPRSA-N 425.533 2.144 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2F)cc1 780798 AYFLSORWPVLGDW-UHFFFAOYSA-N 447.532 2.049 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@@H]1c1ccccc1OC 2230261 DCBSQNRTTIRNJD-KDOFPFPSSA-N 426.469 2.212 0 40 IEAB O=C(Cc1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3557074 FKESKNWSMAATCR-UHFFFAOYSA-N 436.917 2.187 0 40 IEAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)NCc1ccc(F)cc1 9034040 UXFCCUWTZRGTAE-YCRPNKLZSA-N 428.416 2.319 0 40 IEAB biogenic CCCn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Br)cc1)C1=C(COC1=O)N2 9283074 CVCMWYVZDPJNHJ-ZDUSSCGKSA-N 432.274 2.088 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)c(F)c1 9373290 YZVMKPLUBCAVMF-UHFFFAOYSA-N 432.470 2.095 0 40 IEAB COC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2OC)CC1 10542186 IUJFQQWJZHSVPV-UHFFFAOYSA-N 438.546 2.141 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 10575507 FGXYURQLJXKNMR-SFHVURJKSA-N 433.505 2.396 0 40 IEAB COc1ccc(NC(=O)c2ccc(Cn3cc(S(=O)(=O)N(C)C)ccc3=O)cc2)cc1 10969875 YZDUHPUUZCHUTO-UHFFFAOYSA-N 441.509 2.408 0 40 IEAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)c12 12871850 DQPBJOLIGRNDDX-FPTDNZKUSA-N 446.500 2.164 0 40 IEAB biogenic NC(=O)c1ccc(-c2nnn(CC(=O)N3CCC(c4nc5ccccc5s4)CC3)n2)cc1 13121008 ZAKVWNGTXLNOFC-UHFFFAOYSA-N 447.524 2.455 0 40 IEAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)c2cccc(F)c2)no1 13505860 PDOHIMYOCDXFBZ-KRWDZBQOSA-N 432.452 2.169 0 40 IEAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@@H]1C 14358671 PMBMZYXQFSHUCP-CBZIJGRNSA-N 430.501 2.295 0 40 IEAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)[C@H](C)c3ccccc3)C1)C2=O 19699742 GFMHXJZOCIUDRI-IEBWSBKVSA-N 440.544 2.104 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(OC)cc3)C1)C2=O 19699922 JSYLCFNSQYWTCH-LJQANCHMSA-N 442.560 2.025 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)CC2 19741816 AJFNHTMTMWWMDZ-IBGZPJMESA-N 427.549 2.444 0 40 IEAB CN1CCN(C(=O)Cn2cccc(C(=O)NC3CCCCC3)c2=O)[C@H](c2ccccc2)C1 19750679 PLOJRTAQCXLLLW-QFIPXVFZSA-N 436.556 2.426 0 40 IEAB COc1ccc(N2C(=O)/C(=C/N[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c(OC)c1 19881319 PDDXXBCNVRDFIM-CRRKTRLDSA-N 442.493 2.008 0 40 IEAB COc1ccc(CNC(=O)Cn2c(=O)c3c(C)cc(C)nc3n(-c3ccccc3)c2=O)cc1 20353536 BJLQZFZNYBCCAZ-UHFFFAOYSA-N 444.491 2.489 0 40 IEAB O=C(NCCN1CCCCC1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 26113416 YRTJKCWLBXIGBZ-QFIPXVFZSA-N 443.569 2.386 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28210005 HPFIVMBJENADBZ-KRWDZBQOSA-N 446.481 2.109 0 40 IEAB CCN1CCN(c2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccccc3F)cc2)CC1 32736243 AHIFANBQWOYPND-MRXNPFEDSA-N 434.537 2.273 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1NS(=O)(=O)c1ccc(F)cc1 32780794 WVUKACFURKTAEB-GFCCVEGCSA-N 442.490 2.008 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCCc2ccccc21 36386933 XKOTYSNUQFPJOK-UHFFFAOYSA-N 439.581 2.461 0 40 IEAB CN1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)[C@H]2CCOC2)CC1 72280901 IIJIIXRFBVVLPY-INIZCTEOSA-N 428.346 2.201 0 40 IEAB O=C(O)[C@@H]1N[C@H](c2ccc(Br)cc2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 72333391 GRUXGZCIDYZYPP-CAOSSQGBSA-N 433.233 2.492 0 40 IEAB COC(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2c(C)nc3cc(C)ccn23)CC1 95953007 XJONIIYHKGBLDQ-UHFFFAOYSA-N 442.541 2.244 0 40 IEAB COCCN1CC2(CCN(C(=O)NCC(C)C)CC2)COc2ccccc2S1(=O)=O 96145178 LDFFLSFWIZPRMO-UHFFFAOYSA-N 439.578 2.164 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 100180531 PLWFOIIEDNVIBA-UMYFYFFOSA-N 427.501 2.242 0 40 IEAB COc1cc2c(cc1OC)CN(Cc1c(O)occ(CN3CCSCC3)c1=O)CC2 100796224 YJHHRDNIMJPOFO-UHFFFAOYSA-N 432.542 2.470 0 40 IEAB biogenic COCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222959031 AVUQOCKOQPGRMC-QGZVFWFLSA-N 444.528 2.435 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223520065 GPUNLMPLISJILZ-MRXNPFEDSA-N 435.521 2.145 0 40 IEAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1 229647893 JSLUOVFOJJMTGM-BQJUDKOJSA-N 431.448 2.301 0 40 IEAB OC[C@H]1CC[C@@H](NC2(Cc3cc(CN4CCN(c5ccccc5)CC4)on3)COC2)CC1 252506129 QJPDJZLYYUVIMK-OYRHEFFESA-N 440.588 2.449 0 40 IEAB biogenic,in-vitro COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1OC 408701370 WTWDWUHNPDYFMP-UHFFFAOYSA-N 448.541 2.469 0 40 IEAB CN(C)C(=O)CN1Cc2ccccc2CC2(CCN(C(=O)CC(F)(F)F)CC2)C1=O 1565549554 ZQMGFZYCPXYJEI-UHFFFAOYSA-N 425.451 2.221 0 40 IEAB Cc1cc(C)n(-c2ccc(N3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)nn2)n1 1889219220 AOBMCSJBERBUNK-UHFFFAOYSA-N 444.425 2.062 0 40 IEAB CN=c1[nH]c([C@H]2CCN(C(=O)CCc3cc4c(cc3OC)CCC4)C2)nc2c1CN(C)CC2 2037769644 OJBAHZYEGNOLFX-FQEVSTJZSA-N 449.599 2.374 0 40 IEAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CCc1nc2cc(Cl)ccc2n1C 2037880173 MFRKHZJIIFXUDH-QFIPXVFZSA-N 442.951 2.439 0 40 IEAB Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1083581 LUKLWXYEDCZIBG-UHFFFAOYSA-N 427.526 2.470 0 40 IEAB Cc1c(CC(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)c(=O)oc2cc(O)ccc12 2130445 GRTGILMUNLVPMB-LJQANCHMSA-N 436.420 2.349 0 40 IEAB biogenic O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)NC(=O)[C@H]1COc2ccccc2O1 2650512 CXFMWZUJZXSKSW-OAQYLSRUSA-N 435.432 2.490 0 40 IEAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3313508 VURSUYUVGTZXER-UHFFFAOYSA-N 442.493 2.314 0 40 IEAB COCCNC(=S)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@H]1CCCO1 6239028 BNIXQYSETDIEIZ-MRXNPFEDSA-N 435.546 2.047 0 40 IEAB CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(Br)cc2)n(C)c1=O 8708899 XBTMWCCNUIBBLC-UHFFFAOYSA-N 448.321 2.238 0 40 IEAB CN(C)C(=O)CN(C)C(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 8765035 JQYGTRKDHUCFPN-UHFFFAOYSA-N 442.512 2.311 0 40 IEAB biogenic Cc1c(C)c2ccc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(C)c2oc1=O 8995792 JEQWUKVLWLMTKD-UHFFFAOYSA-N 444.509 2.103 0 40 IEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3c(c1)CCCN3S(C)(=O)=O)C2=O 9218593 JKDPGWRGRCUQDS-LHSJRXKWSA-N 433.530 2.082 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9413414 UDCKARXBTMJAHE-SJLPKXTDSA-N 438.480 2.499 0 40 IEAB O=C(c1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2C=CC=NN12 9424604 YBENXVQXEAZPFP-XLNTUCKNSA-N 433.395 2.151 0 40 IEAB CCOC(=O)C1=C(CSc2nnc(-c3ccc(OC)c(OC)c3)o2)NC(=O)N[C@H]1C 9666332 STXCALJZHSTMPO-JTQLQIEISA-N 434.474 2.364 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CNc1cc(S(C)(=O)=O)ccc1C)n2CC 11037845 DKXDZBQNJPWYLV-UHFFFAOYSA-N 433.534 2.030 0 40 IEAB NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccc(F)cc2)c1N 12467051 FSZCYZMZTQFVGR-UHFFFAOYSA-N 445.451 2.066 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12632783 FDSRSBMERQOBIV-UHFFFAOYSA-N 426.498 2.210 0 40 IEAB Cc1nn(C)c2sc(C(=O)N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)cc12 12734785 GYDKUMYYUCTMAZ-UHFFFAOYSA-N 440.497 2.368 0 40 IEAB Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(Br)cc3F)CC2)no1 12754104 WNFWVLHEAGYWPB-UHFFFAOYSA-N 425.258 2.281 0 40 IEAB CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1=CCCCC1 13148469 OWWSPMFVNDWFJI-UHFFFAOYSA-N 449.573 2.071 0 40 IEAB Cc1cccc(C)c1NC(=O)C[S@](=O)CC(=O)Nc1ccc(N2CCOCC2)cc1 15935692 WTQFMRUOUXQQTC-PMERELPUSA-N 429.542 2.466 0 40 IEAB COc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1OC 16047671 RSHDRKKFZPMAQO-MRXNPFEDSA-N 443.500 2.368 0 40 IEAB CNC(=O)[C@@H]1CN(Cc2cc(OC)ccc2OC)C[C@H]1c1ccnc(N2CCCC2)n1 19591944 AJFYRNSPKALNBS-RTBURBONSA-N 425.533 2.056 0 40 IEAB CCOC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)Nc1ccc(C(C)C)cc1)c(=O)n2C 19625636 PYLHNJQFLRJFTJ-UHFFFAOYSA-N 438.484 2.342 0 40 IEAB CCCC[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 25115947 DBNWKPVZHQEPAY-XDHUDOTRSA-N 435.480 2.281 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)Cc3ccc(F)cc3)CC2)c(C)c1 32797542 HXIDISINJDTXII-UHFFFAOYSA-N 448.516 2.061 0 40 IEAB NC(=O)COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)N3CCCCCC3)o2)n1 36359225 SQMUBVJTHBPQSY-UHFFFAOYSA-N 446.485 2.425 0 40 IEAB COc1cccc([C@@H]2C(C(=O)OCC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)c1OC 39888797 ZTWQJIBCPTYIMD-QGZVFWFLSA-N 443.500 2.132 0 40 IEAB COc1ccc(CCCNC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1OC 44851819 WFJGSXMYMYFBQT-FQEVSTJZSA-N 448.541 2.370 0 40 IEAB O=C(NCCN1CCN(Cc2ccccc2)CC1)c1nc(N2CCCC2)ncc1Cl 48286588 KMUTVOMRNXVXIK-UHFFFAOYSA-N 428.968 2.278 0 40 IEAB O=C(O)c1ccn(-c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)n1 48355563 HHFFXSLHMDPJPN-UHFFFAOYSA-N 426.454 2.498 0 40 IEAB COc1cc(-c2noc(COC(=O)CNC(=O)c3ccc(N)cc3)n2)ccc1OC(F)F 72312578 PGVONPVKODHTPA-UHFFFAOYSA-N 448.382 2.402 0 40 IEAB CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1cn(C)c2ccccc12 77171669 DXNBKRCFCTTZDJ-OAQYLSRUSA-N 428.558 2.461 0 40 IEAB CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 95475704 ZINJHPGGNINNOG-VFUGHAIPSA-N 434.602 2.480 0 40 IEAB Cc1ccc(CNC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)cc1 101169709 SSLDCSONXICLCR-ROUUACIJSA-N 429.839 2.397 0 40 IEAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 101619144 PFOBDPJVWPMEPM-FCEWJHQRSA-N 429.517 2.200 0 40 IEAB CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225444332 XUKQXKQJELETLN-UHFFFAOYSA-N 436.519 2.393 0 40 IEAB Cn1ccc2cc([C@H](O)CNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)ccc21 239593171 DSAMDXDHSRDSNE-OAQYLSRUSA-N 434.496 2.484 0 40 IEAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 252347131 XYJHJKBRXBIALT-PMXSJFBMSA-N 431.448 2.301 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCCn2ccnc2)CC1 257205517 AZLQBZQKVRSVQD-CQOQZXRMSA-N 426.561 2.499 0 40 IEAB CN1CCN(C(=O)Cn2nnc3ccccc32)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257239144 HODBJONUWYVZPT-QHCPKHFHSA-N 440.507 2.405 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1=O 643555842 GEUTXDUYFMBQIE-DEOSSOPVSA-N 440.544 2.135 0 40 IEAB COc1cc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)ccc1OCC(N)=O 1547139257 RALNYTOINMCNPX-NRFANRHFSA-N 446.463 2.241 0 40 IEAB biogenic Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Cc4csc5ccccc45)C[C@H]23)n1 1549161168 FAWYZNMAZZPDDI-IBGZPJMESA-N 449.536 2.464 0 40 IEAB COc1ccc([C@H](OC)[C@H](C)NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1 1637373274 OLRGPCQKRFLRHJ-HMBMHKHQSA-N 444.503 2.231 0 40 IEAB CO[C@H]1CN(Cc2cccc(C(=O)O)c2)CCCCc2ccccc2OC[C@@H](O)[C@H]1O 2037971337 PKLKCDHMMDOSHZ-AKIFATBCSA-N 429.513 2.339 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(S(=O)(=O)C5CCCCC5)C[C@H]4C3)ncn2)n1 2086896559 QQYIVCXNZVAXBG-QZTJIDSGSA-N 430.578 2.310 0 40 IEAB CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cnccn3)n2)cc1 797082 SBYNDLWHYYDHGF-UHFFFAOYSA-N 444.455 2.420 0 40 IEAB COc1ccc(Cc2nn3c(=O)/c(=C/c4cccc(Cl)c4)sc3nc2=O)cc1OC 1450156 PYNJSXDDIWJYSH-WQRHYEAKSA-N 441.896 2.320 0 40 IEAB CNC(=O)NC(=O)COC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(OC)c1 3454774 AYMXUMHZBYEWMO-UHFFFAOYSA-N 426.404 2.299 0 40 IEAB COc1ccc(NC(=S)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 6136692 QJXNVJWKKMKIJL-UHFFFAOYSA-N 427.482 2.457 0 40 IEAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)NCc1ccc(F)cc1 9340946 NRVCZWRWWGMSDK-UHFFFAOYSA-N 447.532 2.049 0 40 IEAB Cc1c(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C 9416770 XFZSXXNZXZJIME-JQIJEIRASA-N 440.525 2.403 0 40 IEAB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@@H]1c1ccc(O)c(OC)c1 9420849 CJINYKNPAWELPX-MRXNPFEDSA-N 434.474 2.109 0 40 IEAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)NCc1ccc(F)cc1)CS(=O)(=O)C2 10250583 ZNACUUHUXNLFGH-UHFFFAOYSA-N 442.472 2.003 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N3CCOCC3)c12 11696187 UWTYWBBFZXALOQ-CQSZACIVSA-N 446.554 2.300 0 40 IEAB C[C@@H](Cc1cccs1)NC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086639 GICJWAIJAMNLJC-QMHKHESXSA-N 441.553 2.369 0 40 IEAB CN(C)S(=O)(=O)c1cccc(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)c1 12950421 GGHPGXKWERUIHB-UHFFFAOYSA-N 437.562 2.075 0 40 IEAB CCCN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)C1=O 12983398 OAEGTHYNRLXDSS-UHFFFAOYSA-N 443.481 2.253 0 40 IEAB O=C(CN(C[C@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1)NCCc1ccccc1 13501587 AQUZQMIQSMZFFB-GOSISDBHSA-N 444.557 2.228 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccccc1 13566759 NOJQIYKQLGGIBM-UHFFFAOYSA-N 438.933 2.398 0 40 IEAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1 13676596 ATXKLVRUGCZLRR-UHFFFAOYSA-N 448.497 2.145 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCc1cccc(C)c1 13676713 RFJJUXZQIPAKIC-UHFFFAOYSA-N 432.542 2.387 0 40 IEAB CCOc1cc2c(cc1NC(=O)CCNC1=NS(=O)(=O)c3ccccc31)O[C@H](C)C2 16302911 QAJKOZAQQWGJLA-CYBMUJFWSA-N 429.498 2.476 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccccc1 16682447 UWRUZLRFVUKCSY-NXNYUAIASA-N 437.521 2.457 0 40 IEAB CCS(=O)(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19520308 XJHKWSHYHBWELE-HNNXBMFYSA-N 433.578 2.265 0 40 IEAB O=C(CNC1=NS(=O)(=O)c2ccccc21)OCC(=O)c1ccc(Cl)cc1Cl 20856434 XUCMGRDAIRWKOR-UHFFFAOYSA-N 427.265 2.458 0 40 IEAB CC(C)C(=O)N1CCN([C@@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)CC1 25436443 FUNOQGQRFALNEJ-FCHUYYIVSA-N 427.570 2.431 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)NC(C)C 26112258 GDZQUIOOHXLKQY-UHFFFAOYSA-N 435.521 2.483 0 40 IEAB O=C(CSc1nnnn1Cc1ccccc1)NC(=O)Nc1ccc2c(c1)OCCCO2 30967771 HGWVYQPKCIJXGZ-UHFFFAOYSA-N 440.485 2.323 0 40 IEAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCSCC1)[C@H]1CC(=O)N(c2ccccc2)C1 32074201 SXLFKCMSMUHIIZ-FPOVZHCZSA-N 437.565 2.342 0 40 IEAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(OC)cc1 38200774 ZUDFNEPCSVWSQT-QGZVFWFLSA-N 437.456 2.287 0 40 IEAB CCN(C)Cc1cccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 65593472 XVJHKYDRGHQEGR-UHFFFAOYSA-N 446.573 2.481 0 40 IEAB CCOC(=O)c1csc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)n1 70638015 FLLFLCCLIFVRMP-UHFFFAOYSA-N 427.490 2.151 0 40 IEAB O=C(CS(=O)(=O)C1CCCC1)NCCc1ccc(I)s1 72086763 OATMNLGRBDZOAM-UHFFFAOYSA-N 427.329 2.369 0 40 IEAB O=S(=O)(c1ccc(Cl)cc1)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 96371213 OPOKOCNVKMWSMM-MRXNPFEDSA-N 443.930 2.348 0 40 IEAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CN2CCN(CCc3ccccc3)CC2)C1=O 103448254 SSYAXSPUGJCJCI-GBAJDQEWSA-N 438.572 2.420 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2nc(-c3cccs3)no2)Oc2ccccc21 218796080 CECRYNAJRVARNQ-CQSZACIVSA-N 434.499 2.032 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nnc(SC)s3)C2)cc1 224219625 ZDCJJUSCYVBGIS-LLVKDONJSA-N 428.561 2.308 0 40 IEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224872463 FPBCIDKUIJOIKH-AHRSYUTCSA-N 443.519 2.410 0 40 IEAB C[C@@H]1CN(C(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2cc(Cl)ccc2O3)CC[C@H]1O 253601782 FAQGORDIXZTEMB-UZSYQUHHSA-N 434.920 2.286 0 40 IEAB Cn1c(=O)c2c(nc3n(-c4ccc5c(c4)OCCO5)c(-c4ccccc4)cn23)n(C)c1=O 1101494 GXCRBVDFGIOPPY-UHFFFAOYSA-N 429.436 2.114 0 40 IEAB COc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)cnc32)cc1 1330820 YHUICESQDYMABS-UHFFFAOYSA-N 433.424 2.001 0 40 IEAB O=C(c1c(F)cccc1Cl)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3557122 OFGWLTLJPYNAAW-UHFFFAOYSA-N 440.880 2.397 0 40 IEAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)N1CCN(c2ccccc2F)CC1 8745487 UMBRSGBIZPLPKS-HXUWFJFHSA-N 449.486 2.119 0 40 IEAB C[C@H](NC(=O)C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1)C(=O)Nc1ccc(F)cc1 8789826 CMAAKFIMDDCEPR-KKSFZXQISA-N 440.519 2.078 0 40 IEAB biogenic COc1ccc(OC)c(NC(=O)C[C@H](NCCc2ccc(OC)c(OC)c2)C(=O)O)c1 10186422 VLWKNHBHCIEIHU-KRWDZBQOSA-N 432.473 2.335 0 40 IEAB COc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 11114658 LINMJIMEGCEZHH-UHFFFAOYSA-N 429.542 2.129 0 40 IEAB Cn1ccnc1[C@]1(O)COC2(CCN(C(=O)c3ccc(OC4CSC4)cc3)CC2)C1 12116243 PLCPEPZSXIWKJC-JOCHJYFZSA-N 429.542 2.197 0 40 IEAB Cc1cccnc1C1(O)CCN(C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 12117337 BTTZQFIDXWFRJT-SFHVURJKSA-N 449.507 2.289 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1 12224952 HXZNXWFLLICDNN-UHFFFAOYSA-N 433.534 2.042 0 40 IEAB CCc1cc(CC)n(-c2nc3c(c(=O)n(CC(=O)C(C)(C)C)c(=O)n3C)n2C(C)C)n1 12232160 HIJGHHDHPBWZNV-UHFFFAOYSA-N 428.537 2.403 0 40 IEAB COC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2cccc(C)c2)S1(=O)=O 12415418 CVYOZXFMWIXYBJ-UHFFFAOYSA-N 431.514 2.173 0 40 IEAB CC(C)(CNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCOCC1 12906032 RNTXFOBTMIKUTF-UHFFFAOYSA-N 431.558 2.006 0 40 IEAB C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 12906504 PYQXRGMFXOKAAC-KGLIPLIRSA-N 441.571 2.243 0 40 IEAB Cc1ccc(N2C(=O)N(CN3CCN(S(=O)(=O)c4ccccc4)CC3)C(=O)[C@@H]2C)cc1 13097752 IIPJWFBVPZWGGC-SFHVURJKSA-N 442.541 2.116 0 40 IEAB O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)[C@H]1CC(=O)N(c2ccccc2)C1 17190158 VGRCYMLWKSIGPG-SFHVURJKSA-N 447.543 2.376 0 40 IEAB Cc1nc(C)n(CC(=O)N2CCCC[C@H]3CN(C(=O)c4ccc(CN(C)C)cc4)C[C@H]32)n1 19285740 OXVYQUXTLBTVBZ-FCHUYYIVSA-N 438.576 2.110 0 40 IEAB Cc1sc2c(C3CCN(C(=O)[C@@H](C)N[C@@H]4CCS(=O)(=O)C4)CC3)nc(C)n2c1C 19561754 RVSXYXFSNVPFIZ-SJKOYZFVSA-N 438.619 2.192 0 40 IEAB COCCN1C[C@H](c2cc(N(C)C)nc(C3CCN(C(=O)C(C)(C)C)CC3)n2)CC1=O 19697365 IVUSSXKRSIHWFW-QGZVFWFLSA-N 431.581 2.257 0 40 IEAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCN(C(=O)OCC)CC1 20189058 LLUHHDFYKFKACW-UHFFFAOYSA-N 446.504 2.456 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCc2sccc2C1 21626013 DQYVJSVOPGLXSH-IBGZPJMESA-N 436.555 2.407 0 40 IEAB CCNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(CN2CCOCC2)cc1)c1ccccc1 22358746 JFGDCQOGSLFUBJ-FQEVSTJZSA-N 425.485 2.263 0 40 IEAB O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N[C@@H]1CCCc2ccccc21 22916404 WXYYDARZTMAVNP-HXUWFJFHSA-N 437.569 2.067 0 40 IEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(Cc4c(F)cccc4Cl)CC3)ccc21 23844941 ACDLYNYUTLINAZ-UHFFFAOYSA-N 444.894 2.460 0 40 IEAB Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)N2CCN(C=O)CC2)c2ccccc2n1C 27564074 SWWWRDILQIZTOL-DEOSSOPVSA-N 430.508 2.333 0 40 IEAB CCOC(=O)C1=C(CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)NC(=O)N[C@H]1c1ccco1 31801584 WJCBJGARSLBHEB-ACJLOTCBSA-N 438.440 2.308 0 40 IEAB CCN(CC)S(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 32906415 HCJAVHGYVVFSIY-JXMROGBWSA-N 430.368 2.193 0 40 IEAB COc1ccc(OCCN2CC(=O)N(c3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 36080523 DGAIDKKDGQJMFM-FCHUYYIVSA-N 444.553 2.205 0 40 IEAB Cc1cc2ncn(C[C@H](O)CNC(=O)Cn3c(S)nnc3-c3cccs3)c2cc1C 58063334 VEQLOIYHUVEICJ-CQSZACIVSA-N 442.570 2.439 0 40 IEAB CN(C)c1nccc(N2CCN(S(=O)(=O)c3ccc(F)cc3C(F)(F)F)CC2)n1 72292510 NXVVLTIBUHDTMC-UHFFFAOYSA-N 433.431 2.211 0 40 IEAB CCCCOC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 72303213 ZNUGUUBDJPCRNT-INIZCTEOSA-N 436.574 2.424 0 40 IEAB COc1ccc(CC(=O)Nc2nc3c(s2)CN(S(=O)(=O)C2CC2)CC3)cc1OC 77154760 ZWYZKIINPIWHJL-UHFFFAOYSA-N 437.543 2.192 0 40 IEAB C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(C(=O)CC3CCCCC3)CC1)C2=O 95441125 RIBGCEBNTGEDJV-ROUUACIJSA-N 446.592 2.374 0 40 IEAB O=C(Nc1nc([C@H]2CCCO2)n[nH]1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 95472289 HWYUOJGDIVIVHK-CQSZACIVSA-N 425.898 2.492 0 40 IEAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CCC2)cc1 95954968 FTBIIOYWXBYWLC-UHFFFAOYSA-N 427.526 2.266 0 40 IEAB CC(C)(CN1CCn2ccnc2C1)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 95992961 QLAKDDKLPGRDTE-FQEVSTJZSA-N 429.540 2.054 0 40 IEAB C[C@H]1Cc2cc(C(=O)NCCCN3CCOCC3)ccc2N1S(=O)(=O)c1ccccc1 223071084 WHMBPVLGDMYZRF-SFHVURJKSA-N 443.569 2.279 0 40 IEAB COc1ccc(S(=O)(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1NC(C)=O 223852486 HPAJGTPKZQIREL-UHFFFAOYSA-N 431.514 2.255 0 40 IEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCCN1CCCC1=O)[C@]1(C2)NC(=O)c2ccccc2O1 253596142 NQGZVQNOPRBKND-OEDAOFSRSA-N 425.529 2.460 0 40 IEAB Cc1cc(C)c2[nH]c(CCC(=O)N[C@H]3CCC[C@H](n4cnc5c(N)ncnc54)[C@H]3O)nc2c1 257220240 DKDNURRAHUFJNV-HTZUNMPGSA-N 448.531 2.105 0 40 IEAB O=C(c1ccncc1)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 257336403 YOGBFAMTCKJFCZ-QGZVFWFLSA-N 438.509 2.377 0 40 IEAB Cc1ccc(CN2CC3(CCN(C(=O)N(C)C)CC3)Oc3ncccc3S2(=O)=O)cc1 306128544 HDFKNNBCHJZZGL-UHFFFAOYSA-N 444.557 2.490 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 408652639 GIKFYMZHLBSACH-MRXNPFEDSA-N 439.468 2.069 0 40 IEAB COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(OC)c1OC 409217932 RSLQHBWWEKZDHE-XNTDXEJSSA-N 429.404 2.383 0 40 IEAB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)CC1 409352826 DYUWUBKGXAKGBS-GZTJUZNOSA-N 428.514 2.172 0 40 IEAB COC(=O)c1cc(NC(=O)N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc(Cl)c1F 616896818 UDLPXOVKVQUMMF-PXAZEXFGSA-N 440.903 2.282 0 40 IEAB Cc1nc(N2C[C@H]3CN(C(=O)C4(c5ccccc5)CCOCC4)C[C@H]3C2)nc(O)c1F 1888890663 RXZPEQXMFZHUEK-CALCHBBNSA-N 426.492 2.273 0 40 IEAB COc1ccc2c(=O)n(CC3CCN(S(=O)(=O)c4c(C)noc4C)CC3)cnc2c1 1889252842 BUJCEQDFHHXZHO-UHFFFAOYSA-N 432.502 2.111 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1 1363313 FEPCMQCJVZCBJF-INIZCTEOSA-N 432.498 2.141 0 40 IEAB C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N[C@H](CC(=O)O)C(=O)O 1737600 COHGIZCCOYJYPA-SJKOYZFVSA-N 425.393 2.271 0 40 IEAB biogenic COC(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2I)c1 3570046 NJQAOCUDYAOPQG-UHFFFAOYSA-N 438.221 2.446 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1CCN(C)C 8709890 GLNXMLFBMBINLA-UHFFFAOYSA-N 446.914 2.169 0 40 IEAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21 9001065 PVZSGDQVIOAJJR-UHFFFAOYSA-N 431.452 2.039 0 40 IEAB O=C(CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)NC[C@H]1CCCO1 9483003 STNXWXXVQZTILD-CQSZACIVSA-N 439.559 2.390 0 40 IEAB Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)no1 9525936 FDFKDMASUQGTMU-HNNXBMFYSA-N 429.429 2.083 0 40 IEAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc2c1 9660507 GUXAYBLPXXUDMM-UHFFFAOYSA-N 439.540 2.202 0 40 IEAB CCc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 9806240 IUWXOCLHTZGHGO-LJQANCHMSA-N 429.542 2.465 0 40 IEAB CNC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10337455 QVYKJAKDQLVELR-UHFFFAOYSA-N 425.507 2.286 0 40 IEAB O=C(NCCCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 12897234 ISMJPIZKTNKKRE-XSARVHFWSA-N 432.476 2.451 0 40 IEAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCC(=O)Nc1ccccc1Br 12917495 IFMHDOVGJIHREH-UHFFFAOYSA-N 432.196 2.385 0 40 IEAB CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)Cc1ccccc1 13013505 ZJAXITYWFDZWCG-UHFFFAOYSA-N 431.558 2.477 0 40 IEAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 13056319 VNLSQKKIPSSNAF-UHFFFAOYSA-N 428.558 2.232 0 40 IEAB COC(=O)c1sccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 13533119 CFJRRXUDIYULSX-UHFFFAOYSA-N 445.478 2.353 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 13685817 PNXQQOMGZHGYDR-NRFANRHFSA-N 434.496 2.420 0 40 IEAB Cc1cc(C(F)(F)F)c2c(C)nn(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2n1 17095349 WJGGDSKELBVTSZ-UHFFFAOYSA-N 427.408 2.353 0 40 IEAB O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCCN3C(=O)c3cc[nH]n3)[nH]c(=O)c2C1 19292544 YKDYEMWGTYKYLQ-IBGZPJMESA-N 438.532 2.325 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(C)c3C)c(=O)n2[C@H]1c1cccs1 19636768 DTCJRSHPFCSAFK-BXBHGGAKSA-N 442.566 2.210 0 40 IEAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)COc3ccc(F)cc3F)cc2)[C@@H](C(N)=O)C1 19698761 NFJAKYQPUWQRBL-MOPGFXCFSA-N 445.466 2.049 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 19709652 PTJREKLLNPLJMZ-SFHVURJKSA-N 425.533 2.306 0 40 IEAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)CC1(NC(C)=O)CCCCC1)CC2 19710548 RTCYREBKTZNKQN-GOSISDBHSA-N 442.608 2.441 0 40 IEAB CN(CC(=O)N1CCO[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1)Cc1ccccn1 19762547 YRAMFWBNOCBFIK-QHCPKHFHSA-N 447.539 2.364 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 21871655 FAOUFNBLRPSUTA-UHFFFAOYSA-N 429.608 2.237 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)C1=O 24641889 LPWTWNVIIJWXCX-HSZRJFAPSA-N 449.442 2.182 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cc(Br)c[nH]2)c1 32747426 GVWFTFQHEZMSOT-UHFFFAOYSA-N 439.218 2.146 0 40 IEAB Cc1nn(CCO)cc1CCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 32934760 FHVFLAWJIKIKAC-UHFFFAOYSA-N 442.541 2.347 0 40 IEAB CCOC(=O)COc1cccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c1 33551402 VXKMWLWINDGHLZ-YBEGLDIGSA-N 428.397 2.101 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCCC2)C1 44899850 OOOPOKPUPDOQRP-KRWDZBQOSA-N 436.578 2.160 0 40 IEAB CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(-n4nnnc4C)ccc3F)cc2C[C@@H]1C 58330388 KDUJXEORMOHFQT-NSHDSACASA-N 430.465 2.208 0 40 IEAB COCCN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 83902689 VMWYAPHQDSMKGJ-GFCCVEGCSA-N 443.875 2.218 0 40 IEAB O=C(NCCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2 101007720 QNRFJLGVOMITIJ-SPEDKVCISA-N 442.537 2.358 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223526824 IYWQASSOEYRXSU-INIZCTEOSA-N 435.521 2.145 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225195114 MCRIXGOWWZWBIY-SFHVURJKSA-N 431.558 2.233 0 40 IEAB CC(C)(NC(=O)CCc1ccccc1)C(=O)N1CCOC[C@H](Cc2ccc3nccn3n2)C1 257219053 DFLFFMCDOSLOAF-HXUWFJFHSA-N 449.555 2.274 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CN2CCC[C@@](C(N)=O)(c3ccccn3)C2)c(Cl)c1 257269509 MQHMEEFGHVFPHP-NRFANRHFSA-N 429.908 2.151 0 40 IEAB Cc1cnc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)cn1 257307046 SWZOTGGDSLCHNT-LSQMVHIFSA-N 438.572 2.213 0 40 IEAB CC(C)Cn1nc2n(c(=O)c1=O)CC1(CCN(Cc3ccc(OC(C)C)cc3)CC1)N2C 306144022 YTRDBESMHOAUKQ-UHFFFAOYSA-N 441.576 2.333 0 40 IEAB C[C@]1(CCCC(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)NC(=O)NC1=O 1137367576 OKVASDNRAXOARB-AUSIDOKSSA-N 425.485 2.184 0 40 IEAB C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)C(=O)NC(N)=O 3343508 BKSZLJOKXDDINK-SECBINFHSA-N 443.840 2.020 0 40 IEAB COc1cc(/C=c2\sc3nc(Cc4ccccc4)nn3c2=O)cc(OC)c1OC(C)=O 9914744 FFVNLFRAWAIGSV-WQRHYEAKSA-N 437.477 2.232 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)c1cc(C)n(CC(F)(F)F)c1C 10455592 BOUCKFHSKPLRES-UHFFFAOYSA-N 448.419 2.363 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2cc(C(C)C)n([C@@H]3CCS(=O)(=O)C3)n2)CC1 11906937 CDKVLPQWYVKRLI-QGZVFWFLSA-N 446.573 2.337 0 40 IEAB Cc1nc2ccc(C(=O)N3CCC[C@@H](c4ncncc4S(C)(=O)=O)C3)cc2nc1C 12128437 LVSVBRNYSPTQKI-MRXNPFEDSA-N 425.514 2.460 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(c3cc(O)nc(-c4cnccn4)n3)CC2)cc1 12258529 VRNWGSDYKRJNNC-UHFFFAOYSA-N 427.486 2.216 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)CSCc2ccc(C)cc2)c(=O)[nH]c1=O 12904710 OHCWINXGNKTJCW-UHFFFAOYSA-N 434.562 2.140 0 40 IEAB CCCCN(C(=O)c1[nH]c(C)c(C(=O)OCC)c1C)c1c(N)n(CCCC)c(=O)[nH]c1=O 13011812 QXNDJDZTBNYZRA-UHFFFAOYSA-N 447.536 2.487 0 40 IEAB Cc1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)cc1 13505881 VLBKMGRFZRBEQJ-GOSISDBHSA-N 428.489 2.339 0 40 IEAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3OC)CC2=O)cc1 13517202 VGBLWLKHHRPKPI-OAHLLOKOSA-N 426.425 2.017 0 40 IEAB O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 14704309 FSEOKFXISKLJEP-UHFFFAOYSA-N 439.921 2.196 0 40 IEAB Cc1cccc2c1NC(=O)[C@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 16022008 NLLXPTRRSFTVMA-FRBSRZPYSA-N 433.508 2.462 0 40 IEAB C[C@@H](C(=O)N(C)CCc1ccccc1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 19077436 XBDAPTSZBZVFQA-XDHUDOTRSA-N 435.528 2.035 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N(C)Cc1cc(N(C)C)nc(C2CCNCC2)n1 19710123 UFOUWGBWSKBQSN-UHFFFAOYSA-N 433.578 2.147 0 40 IEAB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccc(S(N)(=O)=O)c4)ccc1c23 19923870 FMLZLEXODDALNA-UHFFFAOYSA-N 431.495 2.268 0 40 IEAB Cc1nc(SCC(=O)O[C@H](C)C(=O)NCCc2ccccc2)c(C(N)=O)c(C)c1C 20974548 CJEUMSLZFCXHAB-MRXNPFEDSA-N 429.542 2.488 0 40 IEAB Cc1cc(NC(=O)CN2CCCN(CC(=O)NC(C)(C)C)CC2)n(-c2ccccc2)n1 23247968 UVWKPSHTGUUJCJ-UHFFFAOYSA-N 426.565 2.042 0 40 IEAB C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)NC(=O)NC1CCCCC1 23527155 IYYUTQAPLBBXJY-MRXNPFEDSA-N 442.516 2.493 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)NC)cc2)cc1OCC 23533819 GSDRXLBYXANKDW-UHFFFAOYSA-N 449.529 2.103 0 40 IEAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1Cl 24840859 CQHQIPMJCNHLLG-UHFFFAOYSA-N 439.940 2.444 0 40 IEAB COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1Cl 28207985 LFXHLMSYWGULCQ-UHFFFAOYSA-N 426.878 2.394 0 40 IEAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 29230919 BWCPDTCGAWFFRA-INIZCTEOSA-N 433.530 2.158 0 40 IEAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)NCCCO 33703586 GIUGEEILAZRKJS-UHFFFAOYSA-N 443.319 2.127 0 40 IEAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(c3ncccn3)CC2)c2ccc(Cl)cc21 36359196 CETYXCFEHYSFQF-SFHVURJKSA-N 429.864 2.117 0 40 IEAB CS(=O)(=O)NC[C@H]1CCCCN1CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 40072433 WGSSOLHVUMHORA-XLIONFOSSA-N 439.578 2.497 0 40 IEAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)nc21 77197625 NZEFXEDYCJYORW-CABCVRRESA-N 429.498 2.102 0 40 IEAB CN(C(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C1CCN(CCc2ccccn2)CC1 83855700 VOYAJUAXRMQZKC-UHFFFAOYSA-N 442.585 2.301 0 40 IEAB Cc1cc([C@H](O)CCNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)o1 90613462 XZCHDFASCURHPI-LJQANCHMSA-N 442.559 2.228 0 40 IEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C(=C\c1ccccc1)n1nnnc1C 96620043 XNUJKQXIHBLKSJ-CPNJWEJPSA-N 448.483 2.238 0 40 IEAB CC(C)(C)C(=O)NCc1ccc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)s1 103637863 ZMGZXZHBQRBGHU-HUUCEWRRSA-N 448.541 2.312 0 40 IEAB O=C(NC1CCCCC1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(C1CC1)[C@H]3C(=O)NC1CCCCC1 245230460 SERHDJBFTOPWOL-RPMNLZPZSA-N 441.572 2.197 0 40 IEAB Cn1cc(C(=O)N2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)n(C)n3)C2)cn1 257233628 GQAYNOLSYUDGJD-FQEVSTJZSA-N 431.443 2.267 0 40 IEAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1ccccn1 306130738 JOHGAYLQFUWRTM-MSOLQXFVSA-N 428.539 2.374 0 40 IEAB O=C(N1CCCC1)N1CC[C@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306134305 NIMPMLMQUDLISB-QFIPXVFZSA-N 442.541 2.325 0 40 IEAB COC[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408615470 APHOYXGFGNZHBA-INIZCTEOSA-N 436.530 2.359 0 40 IEAB O=C(c1cccc(-c2nc[nH]n2)c1)N1CCCN(C(=O)c2cccc(-c3nc[nH]n3)c2)CC1 503413264 FPGSSIQPDQAZIN-UHFFFAOYSA-N 442.483 2.245 0 40 IEAB CC(=O)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)c2ccccc21 555740296 YCUAMIKJMWUBRY-PMACEKPBSA-N 434.496 2.215 0 40 IEAB CCc1ccc(C(=O)N2CCOC[C@H]2c2ncnn2-c2ccccc2)cc1S(C)(=O)=O 556462627 FRXMHLGJHOKMCH-IBGZPJMESA-N 440.525 2.447 0 40 IEAB COc1cc(CN(C)C[C@@]2(O)CCN(c3ccccn3)C2)ccc1OCCCN(C)C 585274324 VGWXHMNPAUXGOQ-DEOSSOPVSA-N 428.577 2.494 0 40 IEAB C=CC(=O)N1CCC(C(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)(c2ccccc2)CC1 1170064196 IHRNKDDAXMOYRI-UHFFFAOYSA-N 449.507 2.259 0 40 IEAB O=C(NCC1CC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)c2cccc(Cl)n2)C1 2055793455 GPDRMNFGTQNJQN-OAQYLSRUSA-N 428.924 2.335 0 40 IEAB NC(=O)C1CCN(C(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1 784236 ZKQMPFAWDJKDHX-UHFFFAOYSA-N 435.933 2.259 0 40 IEAB CC(C)(CC(=O)O)CC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 5433875 TVMPJDHUKUUNCI-YXUGBTPSSA-N 446.529 2.159 0 40 IEAB biogenic,in-vitro CCS(=O)(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccccc4Cl)c3n2)C1 6161928 DJTNHJUQUUMSAK-CYBMUJFWSA-N 436.925 2.158 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)c3cccc(N4CCCS4(=O)=O)c3)CC2)cc1 9229019 AYVDBFJEBNWDER-UHFFFAOYSA-N 427.526 2.392 0 40 IEAB CCCc1cc(=O)oc2cc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 9487149 AEPSDBGOJTUGQM-UHFFFAOYSA-N 444.509 2.131 0 40 IEAB NC(=O)c1c(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)sc2c1CCC2 9612648 WJGQFBKUNIOWGV-QFIPXVFZSA-N 438.509 2.058 0 40 IEAB CCn1c(=O)c(-c2csc(NC[C@H]3CCCO3)n2)c(N)n(Cc2ccccc2)c1=O 9619380 XWZPYKYUVTVGQU-OAHLLOKOSA-N 427.530 2.375 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 9670425 AJLYIZNREDJDPR-UHFFFAOYSA-N 444.509 2.233 0 40 IEAB COc1ccc(Cc2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2N)cc1 9799394 OIZAVQAIYWRINL-FQEVSTJZSA-N 439.541 2.284 0 40 IEAB O=C(Cc1c(F)cccc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9987667 XKOGMLNVOPJQJP-UHFFFAOYSA-N 432.926 2.420 0 40 IEAB O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 14069391 NSDYZQMQSISNDS-UHFFFAOYSA-N 435.590 2.236 0 40 IEAB C[C@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)Nc1ccc(C(N)=O)cc1 14246055 NKEIWARTQLQVTK-NSHDSACASA-N 431.832 2.307 0 40 IEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1=O 18230845 IOTLYDROSTYYJS-HXUWFJFHSA-N 428.832 2.136 0 40 IEAB Cc1nn(C)cc1CN1C[C@@H](C(=O)NC(C)C)[C@H](c2ccnc(N3CCCCC3)n2)C1 19583926 FTGNLFVZIXJKOJ-WOJBJXKFSA-N 425.581 2.249 0 40 IEAB COc1ccc([C@@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1OC 20493308 OWPKDXDODANPIW-OAHLLOKOSA-N 436.530 2.351 0 40 IEAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NCc1ccccc1 22228253 MMNBSDWCMZYJDX-UHFFFAOYSA-N 443.569 2.273 0 40 IEAB C[C@@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1 22228304 XYNMHYLIARWICE-QGZVFWFLSA-N 429.542 2.007 0 40 IEAB O=C(O[C@@H]1C2CCN(CC2)[C@@H]1CN1CCOCC1)[C@](O)(c1ccccc1)C1CCCC1 22588465 HUNNPEGZZSIPJQ-OYRHQHFDSA-N 428.573 2.403 0 40 IEAB O=C(CSc1nnc(Nc2ccccc2)s1)N1CCN(CC(=O)N2CCCC2)CC1 23653770 FNNQVQVRNURXGG-UHFFFAOYSA-N 446.602 2.140 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[C@H]2Sc3ccccc3NC2=O)C1=O 23950022 KEQHCQIUKMZXFY-VGOFRKELSA-N 438.509 2.464 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c1=O 29049934 GSRRTSIXRCEVIZ-IBGZPJMESA-N 428.920 2.256 0 40 IEAB CC(C)CN1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 33939812 AHMYIHLZXLGTIQ-JFHULYJISA-N 443.588 2.301 0 40 IEAB O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1)N1CCCC1 35388300 HCXMKTHKUMOLFE-OAQYLSRUSA-N 431.533 2.496 0 40 IEAB CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)N1CCOCC1 36416328 HTCGVNZMJUGVGO-WIYYLYMNSA-N 437.606 2.194 0 40 IEAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1)[C@H]1Cc2ccccc2CN1 36548231 MOTHUJKQNSAOTL-TUACAJSNSA-N 446.551 2.205 0 40 IEAB biogenic CCN(CC)S(=O)(=O)c1ccc2nnn(OCc3cn4cc(Cl)ccc4n3)c2c1 40159338 FYVSPDWGBRFTRW-UHFFFAOYSA-N 434.909 2.392 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@H]1c1cccs1 57415978 RFJCBROHQPHTQV-IBGZPJMESA-N 430.505 2.490 0 40 IEAB Cc1cc(C)cc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)c1 57747726 SPBNZGCEILVTOZ-RBUKOAKNSA-N 428.510 2.047 0 40 IEAB O=S1(=O)CC[C@@H](N(C2CC2)S(=O)(=O)c2ccc(Br)cc2Cl)C1 58457620 NLZPJZUKYWCSAT-LLVKDONJSA-N 428.757 2.443 0 40 IEAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)CCc2ccco2)CC1 72335899 MXVGKXWRLYIRGO-UHFFFAOYSA-N 432.546 2.412 0 40 IEAB COc1ccc(CN2CCC(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1OC 79493118 NAPXUKBAUHSCGQ-LJQANCHMSA-N 439.560 2.491 0 40 IEAB C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104257728 SMCSVMONGRDJLM-CXOVXGEYSA-N 428.938 2.474 0 40 IEAB O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@H]1CC(=O)N(C2CCCCCC2)C1 107591906 TYVAOICRLUMXNW-ROUUACIJSA-N 439.564 2.028 0 40 IEAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 108030112 GZXZFEAZIVVUTA-UHFFFAOYSA-N 443.569 2.233 0 40 IEAB C[C@@H](Oc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1)C(=O)N1CCOCC1 408588150 CQQGYTFUDAWXIF-OAHLLOKOSA-N 438.933 2.445 0 40 IEAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3OC)CC2=O)cc1 408656115 MMTAMFMQMPTFCO-MRXNPFEDSA-N 440.452 2.407 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2)cc1 408656189 MTAJZZRLPCINOD-INIZCTEOSA-N 440.452 2.407 0 40 IEAB CN(C)c1nc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc(N2CCCCC2)n1 575605415 AGFRFVXLWVFHKH-UHFFFAOYSA-N 444.483 2.425 0 40 IEAB COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)c1C2 604404002 HUGDQATXPKEXQA-QIIPPGSGSA-N 436.512 2.471 0 40 IEAB biogenic O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1556652423 HFTPTXVXYWIIPU-CGXNFDGLSA-N 425.485 2.190 0 40 IEAB CC(C)c1nc(S(=O)(=O)N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)cn1C 1888920895 NNWGMWWSWFKZKX-UHFFFAOYSA-N 442.545 2.217 0 40 IEAB O=C(c1ccc(CO)cc1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 3345730 XFLXEQPAKJOAPZ-UHFFFAOYSA-N 428.432 2.344 0 40 IEAB O=C1CCC(=O)N(CNc2cccc(Cc3cccc(NCN4CC(=O)CCC4=O)c3)c2)C1 5615397 ZYWCAOZNKUCXPY-UHFFFAOYSA-N 448.523 2.399 0 40 IEAB Cn1nc(C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c2ccccc2c1=O 9056349 PLWSBQHZZORKEZ-FQEVSTJZSA-N 432.480 2.354 0 40 IEAB COc1ccccc1-c1nnc(SCC(=O)NCC(=O)Nc2cccc(C)c2C)n1N 9128471 FINIEUABICTPHC-UHFFFAOYSA-N 440.529 2.131 0 40 IEAB COc1ccc(C(=O)NCc2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 9261404 HYRUOCKGGZRRIX-UHFFFAOYSA-N 425.514 2.162 0 40 IEAB COc1ccc(-c2coc3cc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)ccc3c2=O)cc1 9577502 AAQWCRSFDYZDFG-OAHLLOKOSA-N 443.477 2.151 0 40 IEAB biogenic O=C(COC(=O)[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9612605 JSTYSWQAWDGPOD-NRFANRHFSA-N 445.493 2.427 0 40 IEAB O=C(CSc1nnnn1C1CCCC1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9819692 VVTLUMUGMSACFM-KRWDZBQOSA-N 435.575 2.096 0 40 IEAB Cc1ccc(OC[C@H](O)Cn2c(NCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 10274090 KENJIXBIECJTEW-GOSISDBHSA-N 449.511 2.092 0 40 IEAB COc1ccc(OCCNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1 12006001 ATZDKCDFVVOOGI-UHFFFAOYSA-N 432.498 2.207 0 40 IEAB CCN(CC)C(=O)Cn1nc2n(CC(=O)N[C@H]3CCCC[C@H]3C)c3ccccc3n2c1=O 12117651 ORJKKHNEOQCLCE-SJORKVTESA-N 440.548 2.014 0 40 IEAB C[C@@]1(CSc2ccccc2C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)NC1=O 12913498 KMBZHGOIROTORR-QFIPXVFZSA-N 441.509 2.121 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3COc4ccccc4O3)c2)C[C@@H](C)O1 13126708 PQWRSSWBHXARSP-NUJGCVRESA-N 446.525 2.054 0 40 IEAB O=C(CSc1cccc[n+]1[O-])NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 14361542 BINNJHRXTDTQOC-PTNGSMBKSA-N 433.486 2.404 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 15391551 QFALGHDPEOTVKI-KRWDZBQOSA-N 433.505 2.392 0 40 IEAB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1ccccc1Cl 15823721 IJZPUVFEEMPHMT-UHFFFAOYSA-N 448.976 2.448 0 40 IEAB C[C@@H]1CCc2c(sc3ncn(C4CCN(C(=O)[C@@H]5CC(=O)N(C)C5)CC4)c(=O)c23)C1 19497199 VZTZOMRONMZPKJ-ZIAGYGMSSA-N 428.558 2.225 0 40 IEAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)C2=NNC(=O)CC2)C1 19591356 JOPJSOUMSVRTES-RUZDIDTESA-N 448.523 2.135 0 40 IEAB CCn1nc(C)c(CN2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c1C 19762379 GFQBRLSZHNHLMM-HSZRJFAPSA-N 437.544 2.364 0 40 IEAB Cc1ccc(C)c(N(CC(=O)NCc2ccccc2-n2ccnc2)S(=O)(=O)N(C)C)c1 20460535 BKOOORHFGNRNRF-UHFFFAOYSA-N 441.557 2.418 0 40 IEAB C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 36398286 VQJBWBIWSLBMJC-IBGZPJMESA-N 437.544 2.271 0 40 IEAB Cc1noc(C)c1CCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382391 JOLCSCPXLAHCAM-RTBURBONSA-N 425.485 2.427 0 40 IEAB CC(C)(C)c1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccccc3)CC2)cc1 59488501 CLYAMZLIZXLWPI-UHFFFAOYSA-N 436.556 2.497 0 40 IEAB CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1 61237623 WUIAULYNNOOJBN-KRWDZBQOSA-N 430.530 2.012 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 63376387 MXDLMEJOTDKJOE-UXHICEINSA-N 434.945 2.406 0 40 IEAB Cc1ccc(CN2C(=O)Cc3c(C)nc(C4CCN(S(=O)(=O)N(C)C)CC4)nc32)cc1 72371953 ZNAORNPHEXTWSB-UHFFFAOYSA-N 443.573 2.169 0 40 IEAB COc1ccc2c(c1)O[C@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)N[C@@H]1CN3CCC1CC3)NC2=O 100181703 JZPKEUKJIURZGC-FLOFOGMGSA-N 425.529 2.160 0 40 IEAB CN(C)S(=O)(=O)c1cc(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)ccc1Cl 101676822 ZIGGQMZOXKWPJJ-HNNXBMFYSA-N 425.869 2.473 0 40 IEAB CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)OCO2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102020870 IDUHILHDQLCMOQ-IXDOHACOSA-N 442.468 2.263 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1OC 220238794 FVONTIFZCYECMJ-INIZCTEOSA-N 436.530 2.362 0 40 IEAB O=C(O)CCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 257214862 CNTBCPNZUDDHLV-CHOVIJNXSA-N 442.487 2.114 0 40 IEAB Cn1c(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)cc(=O)n(C)c1=O 257268357 MLJBQDPNHKYESN-KRWDZBQOSA-N 426.448 2.169 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O 408625901 JONKPHYRLZJTOG-UHFFFAOYSA-N 433.530 2.166 0 40 IEAB C[C@@H]1CN(CC(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3cccnc3)cc2)C[C@@H](C)O1 409412830 PRTBAUBOHHBVDF-PWHSHALESA-N 436.556 2.070 0 40 IEAB COc1ccccc1C1(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCCC1 559877253 PITWNXFLDVKEPP-UHFFFAOYSA-N 426.517 2.591 0 40 IEAB Cc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4)C3)CC2)cc1 585287179 KFXIGUHYOXEZRL-RUZDIDTESA-N 426.557 2.469 0 40 IEAB CC(=O)N1CCCN(C)CCN(C(=O)c2cnc3sccn3c2=O)Cc2ccccc21 643554507 ULSDFULFYRGAMK-UHFFFAOYSA-N 439.541 2.087 0 40 IEAB Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2ccccc2Br)n(C)c1=O 641036 YIZYSRHVTQCSJE-UHFFFAOYSA-N 444.289 2.450 0 40 IEAB biogenic O=C(COC(=O)CNC(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 3300226 LOMVHANAGZNFCS-UHFFFAOYSA-N 435.230 2.090 0 40 IEAB NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 3427094 PMUJUBHCFNKUQB-INIZCTEOSA-N 444.340 2.222 0 40 IEAB COc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C(C)=O)cc4)CO[C@H]23)cc1 4235797 NUQZLJLPJUXZRB-DOIPELPJSA-N 440.452 2.411 0 40 IEAB biogenic,in-vitro Cc1cc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n(-c2nc(C)c(C)c(O)n2)n1 9038945 ISVLYHPGLCUOMN-UHFFFAOYSA-N 433.472 2.072 0 40 IEAB CCc1sc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)nc1-c1ccccc1 9191535 MRPJFXKMSJJLEU-UHFFFAOYSA-N 438.513 2.148 0 40 IEAB COc1ccc(C2=NO[C@H]3[C@@H]2[C@H]2O[C@@H]3[C@@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]23)cc1 9242967 QEPGYSLFGDWBMK-HNJSAKBSSA-N 432.432 2.204 0 40 IEAB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)NCc1ccccn1)c1ccccc1 9974197 QWMTYAMJYIDTKU-PMACEKPBSA-N 448.431 2.234 0 40 IEAB Cc1nc2cc(C(=O)N3CCC[C@@H]([C@H]4Nc5ccccc5S(=O)(=O)N4)C3)ccc2n1C 12088093 CKIBYHCKUJSYDE-IERDGZPVSA-N 439.541 2.464 0 40 IEAB C[C@@H](Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCc1ccc2c(c1)OCO2 12509498 KURXEXURDNJXQM-OAHLLOKOSA-N 431.514 2.317 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 12690255 CZFYZQCOXIKFJN-MRXNPFEDSA-N 445.541 2.231 0 40 IEAB COc1ccc([C@@H]2CN(C(=O)Cc3ccccn3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1OC 19285436 PHQPOZSKQDJKAL-RBUKOAKNSA-N 434.496 2.443 0 40 IEAB Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(-c2ccccn2)n1 19287098 LVOUPDWAZXBVRG-UHFFFAOYSA-N 441.488 2.133 0 40 IEAB C[C@H]1Cc2cc([C@H](O)CN3CCN(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O 19497872 SFVAUOKXAXPQFF-KSFYIVLOSA-N 433.549 2.392 0 40 IEAB CCOc1cc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)ccc1OCC(N)=O 19532215 YTXPCTCTOXGGTQ-UHFFFAOYSA-N 442.541 2.088 0 40 IEAB COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@H]4CCC(=O)N4)C3)cc2)cc1 19558189 JPASCXPSCUTBSI-BWKNWUBXSA-N 435.524 2.277 0 40 IEAB COCCN(C(=O)CNC(=O)c1cc(C)oc1C)c1nc2c(s1)CCc1c-2cnn1C 19567700 UBOSEECYFYFZHC-UHFFFAOYSA-N 443.529 2.261 0 40 IEAB CN(C)[C@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)C1 19581727 MYPFHMOEXWAKNE-VABKMULXSA-N 448.615 2.455 0 40 IEAB Cc1nc([C@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCCN2Cc1ccccn1 19706896 KNWFCODSZJQJFT-LJQANCHMSA-N 430.578 2.466 0 40 IEAB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)CC1 25009051 SUPSHDKJFSIARC-UHFFFAOYSA-N 432.818 2.192 0 40 IEAB CCOC(=O)/C=c1\s/c(=C/c2ccc(F)cc2)c(=O)n1Cc1ccc(C(=O)OC)cc1 33504840 LICKBGXJYHYJIH-JFUXKBHTSA-N 441.480 2.056 0 40 IEAB NC(=O)Cn1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c2ccccc21 35127090 DTGHROKDSSIKIU-VIZOYTHASA-N 432.392 2.362 0 40 IEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 40040842 ZIXFQFAPYHPUTI-HZPDHXFCSA-N 449.529 2.084 0 40 IEAB CCOc1ccc(-n2ncc(C(=O)NCc3ccccc3CN3CCCC3=O)c2C)nn1 40072294 CURHWBNWWDJOTR-UHFFFAOYSA-N 434.500 2.422 0 40 IEAB Nn1c(SCc2cc(=O)n3ccccc3n2)nc2ccc(Br)cc2c1=O 71768782 HVKPYKMBGPDMED-UHFFFAOYSA-N 430.287 2.173 0 40 IEAB COc1ncnc(N(C)C)c1NC(=O)C(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 95444224 ZDZNJBAIKBVFHZ-SFHVURJKSA-N 434.500 2.293 0 40 IEAB COc1ccc(CCN2C[C@H]3CCN(C(=O)c4cc(C)on4)CC[C@H]3S2(=O)=O)cc1 96145518 OTKRDQLPARXZSW-YLJYHZDGSA-N 433.530 2.101 0 40 IEAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 219990089 IFIQUWRGHYRPNS-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222414843 VTABWBVKDDLCCS-INIZCTEOSA-N 435.521 2.063 0 40 IEAB CCc1ccc(OCCNC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 223657695 JCMYGQTUFSLQGE-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB CC[C@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224248850 VEGPLLDQPZOJAU-SFHVURJKSA-N 436.530 2.298 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCSC1CCCC1 225762944 SHTPOVSFYZSHEL-UHFFFAOYSA-N 425.620 2.337 0 40 IEAB O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(C1CC1)[C@H]3C(=O)NC1CCCCC1 245229745 FBEYRBZCIYJZCO-TXWOCOHRSA-N 449.551 2.065 0 40 IEAB O=C(C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cc[nH]n2)C1)N1CCOCC1 257332052 XVNHZFOJSVKOFG-QFIPXVFZSA-N 430.480 2.099 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCCn2ccnc2)C1 408597476 WVYREQYGJJHGBR-HNNXBMFYSA-N 440.953 2.152 0 40 IEAB CCc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)cc1 408615174 MVEXUPMNSKRQKC-WMZOPIPTSA-N 439.512 2.116 0 40 IEAB COc1nc(CNS(=O)(=O)c2ccc(Br)s2)nc(N2CCCCC2)n1 575608434 UNQGSUHNPWKQHE-UHFFFAOYSA-N 448.368 2.173 0 40 IEAB COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 643275766 YWQMIDBLVYEOKT-NRFANRHFSA-N 446.569 2.034 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C)CC2)C12CN(Cc1cccnc1)C2 1549166204 BDRVLSPGJFPMLX-QHCPKHFHSA-N 447.583 2.058 0 40 IEAB Cc1nc(N2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)cc(C(F)(F)F)n1 1888913370 ASXVYUQVQYLCKR-AWEZNQCLSA-N 448.453 2.449 0 40 IEAB Cc1ccc(OC[C@H](O)CNS(=O)(=O)c2ccccc2C(=O)N2CCCCC2)cc1 864276 MHBBVOYIKNPPIB-GOSISDBHSA-N 432.542 2.339 0 40 IEAB COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)cc1OC 1295775 XFIDXAICANIFSG-DAYGRLMNSA-N 425.363 2.203 0 40 IEAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1 1363872 ZDNDPHKBDMSUDU-QGZVFWFLSA-N 440.529 2.319 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC 1378837 ZGKBICBXVIXPNX-SFHVURJKSA-N 436.505 2.355 0 40 IEAB CCc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)s1 9263939 UEOSMKXONISBJJ-UHFFFAOYSA-N 435.510 2.029 0 40 IEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1=NN(c2cccc(C)c2)C(=O)CC1 9634340 MFFDHZOXNOJDIM-UHFFFAOYSA-N 447.495 2.390 0 40 IEAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cn2cc(Cl)ccc2n1 10323015 OQMREYCIPCYYFZ-UHFFFAOYSA-N 434.905 2.450 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)nc2)sc(C(=O)NC)c1C 10806284 WPPRENJXIYYCMA-UHFFFAOYSA-N 439.877 2.437 0 40 IEAB COc1ccccc1C(=O)N[C@@H](C)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 12089010 KIGYERKAAGGBDN-KRWDZBQOSA-N 436.512 2.217 0 40 IEAB Cc1cccnc1[C@H](Cc1ccsc1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 12229689 PYJPXWHYLGUDRD-KRWDZBQOSA-N 442.522 2.244 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1nc2ccccc2[nH]1 12628014 DKLURVAHQNWEFR-SFHVURJKSA-N 430.486 2.276 0 40 IEAB CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)ccc21 12648759 GIBAFUJMSMMNDQ-UHFFFAOYSA-N 444.538 2.453 0 40 IEAB O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12805775 KQBLOMVIKQIDHU-FQEVSTJZSA-N 435.496 2.291 0 40 IEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(=O)c3ccccc32)cc1 12881152 IAAZPVMYGYPSFI-OAHLLOKOSA-N 441.509 2.418 0 40 IEAB CCOc1ccc(NC(=O)C[C@H]2N=C(N3CCN(c4ccccc4F)CC3)NC2=O)cc1 13725357 HZZPHBBJHQTGOW-LJQANCHMSA-N 439.491 2.230 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)n(C)c1 14404562 BZUZBVAFKXNAIL-LJQANCHMSA-N 447.536 2.448 0 40 IEAB COc1c(Br)c(C[C@@H]2CC(C(N)=O)=NO2)c(Br)c2c1OCO2 15085744 GLYUBOXESAYZJW-RXMQYKEDSA-N 436.056 2.122 0 40 IEAB CCCc1nnsc1C(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 19708382 YAUQXKAHUHDSNL-UHFFFAOYSA-N 429.546 2.378 0 40 IEAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(C(=O)N2CCOCC2)cc1 25557481 XHNNEIWGFQHRLP-UHFFFAOYSA-N 438.480 2.210 0 40 IEAB C[C@H](C(=O)NC1CCCCCC1)S(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 32796747 HCTOVQGPYDIOIB-OAHLLOKOSA-N 430.592 2.079 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 34853929 LKZBZSWEFWYORE-UHFFFAOYSA-N 445.541 2.020 0 40 IEAB Cc1cc2ncn(CC3CCN(S(=O)(=O)CCN4C(=O)CCCC4=O)CC3)c2cc1C 38488533 HUUFLGVTOVDPTM-UHFFFAOYSA-N 446.573 2.234 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 48234836 KHQMHPPYZBKENI-UHFFFAOYSA-N 429.454 2.213 0 40 IEAB COc1cccc(C[C@@H](C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)n2nnnc2C)c1 48366555 GZDFQOXXXNITKQ-QUCCMNQESA-N 446.515 2.223 0 40 IEAB O=C(c1ccc(CN2CCCC2)o1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338797 ZXOKAWORCNZHRP-OAQYLSRUSA-N 444.557 2.458 0 40 IEAB Cc1cc(C(=O)N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC4CC4)[C@H]3CC2)no1 96145900 HGIHAIOFNCYHGD-ROUUACIJSA-N 431.514 2.450 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1OC 100207772 DMYOOPSREMVGOU-MDTICMOCSA-N 433.464 2.135 0 40 IEAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)OC5C[C@@H]6CC[C@@H](C5)N6C)nc4c23)C1 100475594 ACHHTMXMBVPGDS-RDBSUJKOSA-N 441.557 2.399 0 40 IEAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222411779 YOKDUTQLHXUXDO-SFHVURJKSA-N 431.558 2.233 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 222738609 JEMXPEYXHHUZKR-GJZGRUSLSA-N 434.514 2.498 0 40 IEAB O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)c2ccccc2O1 223035254 JNZZAQDFDUCOBW-IBGZPJMESA-N 446.488 2.480 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 223044891 JKSXYHUZSSXAAG-INIZCTEOSA-N 448.541 2.357 0 40 IEAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223137566 FLOSKVRQKIHUKZ-FGZHOGPDSA-N 443.617 2.451 0 40 IEAB CCSc1nnc(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)s1 223462119 XPJUOQPTHKATIB-UHFFFAOYSA-N 432.549 2.072 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)cc1OC 223910954 ZFWYWXFKLYSHSU-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB COc1ccc(OCCCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 224229817 NZGHQNRCFVKOQT-UHFFFAOYSA-N 436.530 2.300 0 40 IEAB COc1cccc(N(CCCC(=O)NCCOc2ccccc2OC)S(C)(=O)=O)c1 224691152 AAMVJBZDWLBKKU-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)s1 225864461 MOMCLJZHHYGQGO-UHFFFAOYSA-N 428.883 2.069 0 40 IEAB CCCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)OC)c(OC)c2)C1=O 409233272 UNFVBKFRPQCVOD-KPKJPENVSA-N 427.251 2.312 0 40 IEAB O=C(N[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O)c1ccccc1 514288359 AXSOYENKDNFHGK-PCCBWWKXSA-N 449.473 2.386 0 40 IEAB biogenic,in-vitro C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)c1ccccc1F)CC2 643564691 AQRIELZTXPSRPL-KRWDZBQOSA-N 433.524 2.260 0 40 IEAB CC[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)[C@H](CO)[C@@H]1CN1CCC[C@@H]1COC 1772594656 DZGORVYYLPKDGS-KLICCBINSA-N 432.533 2.083 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)NCc2cccnc2)c1 6261658 FTAWNJCZPQBVNN-UHFFFAOYSA-N 425.466 2.219 0 40 IEAB O=C(CSc1ccccc1C(=O)N1CCN(c2ncccn2)CC1)NCc1ccco1 8724235 NHJQYFBJXUFYPA-UHFFFAOYSA-N 437.525 2.441 0 40 IEAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1 8848919 LLOUUAUAESDWQH-UHFFFAOYSA-N 449.364 2.353 0 40 IEAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 9063847 ARCMJPSATOJGAK-KRWDZBQOSA-N 432.542 2.467 0 40 IEAB C[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9184144 XNKMLYQZHDGCHQ-FXAWDEMLSA-N 435.590 2.289 0 40 IEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 9445443 GNVPOOCKJAUIAR-CYBMUJFWSA-N 427.482 2.386 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 9467116 ZHGKYLNBBOKDIW-XVNBXDOJSA-N 446.481 2.097 0 40 IEAB Cn1nc(CC(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c2ccccc2c1=O 9799483 BLSJJJZNNPLDAZ-QFIPXVFZSA-N 446.507 2.283 0 40 IEAB CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)ccc2F)c1 12031405 UJEFOGFABIWUOO-MRXNPFEDSA-N 439.486 2.241 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)NC1CC1 12564288 UBQGKQQEEWSTAO-UHFFFAOYSA-N 433.505 2.237 0 40 IEAB COC(=O)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 12765537 IGZJBNSMTJDCJY-UHFFFAOYSA-N 439.440 2.290 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)cc1 12800915 LXXRSMGSJNHZRO-UHFFFAOYSA-N 437.606 2.478 0 40 IEAB CC(C)c1n[nH]c(CC(=O)N2CCO[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)n1 19702758 NFWZHIHFAAXNPQ-CQSZACIVSA-N 442.545 2.382 0 40 IEAB C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2cn3ccccc3n2)CC1 22926343 XBLKAICHHGLRMT-QFIPXVFZSA-N 446.599 2.185 0 40 IEAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)/C=C\c3ccc4c(c3)OCO4)CC2)cc1 23134637 AMIKTZDTBOIPJJ-UITAMQMPSA-N 432.484 2.057 0 40 IEAB O=C(/C=C/c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 25287788 MPUNSZPTIHFAPM-HWKANZROSA-N 442.360 2.452 0 40 IEAB CCOC(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1 30567342 GOHAZRPXCXDVCV-INIZCTEOSA-N 431.489 2.461 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4ccccc43)CC2)cc1 32103892 BMSBVUOBFOBHSL-UHFFFAOYSA-N 440.525 2.133 0 40 IEAB Cc1ccc(NC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)cc1C 35425653 AVQBTSWONNDGJO-UHFFFAOYSA-N 432.484 2.136 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCCOC(C)C)n2C 36761488 CHVBZOSPOKZMKB-UHFFFAOYSA-N 438.594 2.468 0 40 IEAB COc1ccc(-n2c(O)nc3nc(N4CCN(c5ccccc5F)CC4)ncc3c2=O)cc1 67264230 RYEVHJOWIPOQPE-UHFFFAOYSA-N 448.458 2.356 0 40 IEAB Cn1nc2n(c1=O)CCN(C(=O)c1cc(-c3ccc4c(c3)OCCO4)nc3ccccc13)C2 89741028 QAPUMOJXWLGYCV-UHFFFAOYSA-N 443.463 2.224 0 40 IEAB O=C(c1cccnc1I)N1CCN(c2cc(Cl)ncn2)CC1 95457385 IEPMNNIGTLONEQ-UHFFFAOYSA-N 429.649 2.092 0 40 IEAB CC(C)c1nncn1CCNC(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1 95962839 WKTYEJWNZKJZIB-UHFFFAOYSA-N 431.518 2.209 0 40 IEAB COc1ccccc1-c1cc(C(=O)NCCn2nc(-c3ccco3)n(C3CC3)c2=O)[nH]n1 211075486 ZVQTWNXDJFYKOR-UHFFFAOYSA-N 434.456 2.468 0 40 IEAB COc1cccc(-c2noc(CN(C)C(=O)CN(Cc3ccccc3)S(C)(=O)=O)n2)c1 222697835 TXRRJMRRYZFEIQ-UHFFFAOYSA-N 444.513 2.165 0 40 IEAB COc1cccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c1 225155430 AVPLZKBXZYIVAO-UHFFFAOYSA-N 448.526 2.465 0 40 IEAB Cc1nc(N)cc(C2(C)CCN(C(=O)[C@@]3(Cc4ccc(F)cc4)CN(C)CCO3)CC2)n1 257222029 DRPGVSUPYKWNSX-XMMPIXPASA-N 441.551 2.330 0 40 IEAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)[C@@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 257333161 YAKCOBYKVXEZTG-QFIPXVFZSA-N 446.507 2.361 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408670911 XQORLHQAJKEZCE-XJSUSFSXSA-N 436.386 2.383 0 40 IEAB CCc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)on1 585261667 PUAMBTTXPGZCQH-HWBMXIPRSA-N 440.588 2.456 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888919658 HKBFFTXNEFZHGU-UHFFFAOYSA-N 444.561 2.437 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1nnc(-c2cccs2)n1 8733916 GJXBCLMKCDTODV-UHFFFAOYSA-N 435.307 2.227 0 40 IEAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c(C)c12 8877541 FVSUWJOWIJISFG-AWEZNQCLSA-N 443.456 2.025 0 40 IEAB biogenic COCCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nc2ccccc21 8898265 QHDGDOGQRHCESY-UHFFFAOYSA-N 431.518 2.061 0 40 IEAB COc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c(OC)c1 9421323 ZAAWSIFASPPBCK-UHFFFAOYSA-N 449.442 2.499 0 40 IEAB COc1ccccc1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21 9660733 LAKOHFBNYQADMS-UHFFFAOYSA-N 430.464 2.448 0 40 IEAB O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 9712603 ZIWLESDNVDFCBC-ZDUSSCGKSA-N 426.844 2.371 0 40 IEAB COc1ccc(C2=NN(C(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)[C@H](c3ccco3)C2)cc1 9741954 RTYDNOGLHPEXGD-APWZRJJASA-N 431.514 2.085 0 40 IEAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OS(=O)(=O)c1ccc(OC)cc1 9761627 RTTVMWSWCCPGND-UHFFFAOYSA-N 444.465 2.494 0 40 IEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 10708629 HCMNFSSUQDIECB-AWEZNQCLSA-N 437.543 2.149 0 40 IEAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)Cc2ccccc2O)CC1 12133305 SNCJXYCNYJQOBU-UHFFFAOYSA-N 444.557 2.135 0 40 IEAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2cccnc2)CC1 12133360 JJTQKOWOYBVUGH-UHFFFAOYSA-N 429.546 2.285 0 40 IEAB CCn1cc(C2=NS(=O)(=O)N(C)C(C(=O)NCC34CC5CC(CC(C5)C3)C4)=C2)c(C)n1 12156061 AJBDEURFDNOMIQ-UHFFFAOYSA-N 445.589 2.407 0 40 IEAB O=C(CCN1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)NC(=O)NC1CCCC1 12521784 PTVDTFOHIOLZSL-UHFFFAOYSA-N 448.589 2.382 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(OC(F)F)c2)CC1 12780434 WTHZQCDEVGFKMP-UHFFFAOYSA-N 429.445 2.430 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 12816677 UWQJUFSQWMOGQH-UHFFFAOYSA-N 449.529 2.103 0 40 IEAB COc1cc(C(=O)N[C@H](C)C(=O)OCC(=O)Nc2cccc(F)c2)cc(OC)c1OC 13058287 WOFYDSAXFQMJHB-GFCCVEGCSA-N 434.420 2.152 0 40 IEAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)Nc1ccccc1O 15019748 CWAQGPFNXMDZKN-UHFFFAOYSA-N 447.542 2.218 0 40 IEAB C[C@H](NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 16109052 ITSRTLCGYOVULT-ZDUSSCGKSA-N 444.962 2.387 0 40 IEAB COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3ccc(OC)c(OC)c3)n2)cc1 16954184 IBJNILLSJQBGHI-UHFFFAOYSA-N 438.440 2.160 0 40 IEAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)[C@H](C)N4CCCC4=O)CCNC3=O)cc2)cc1 19079204 QNWXGMVILLVORT-AVRDEDQJSA-N 449.551 2.490 0 40 IEAB O=C(N[C@H]1CSC[C@@H]1O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372534 QNFKTFHWBYMCQV-CGXNFDGLSA-N 428.529 2.349 0 40 IEAB O=C(CN1CCO[C@@]2(CC=CCN(CCc3ccccc3)C2=O)C1)Nc1nccs1 19704351 DMNMBKIBJFTWAF-QFIPXVFZSA-N 426.542 2.184 0 40 IEAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)S(=O)(=O)c2ccc(C)c(F)c2)cc(N(C)C)n1 19709798 WCGDLVIDCRXFOI-LJQANCHMSA-N 449.552 2.494 0 40 IEAB Cc1nc(NC(=O)Cn2cc(C(=O)N[C@@H](c3nccn3C)C3CC3)ccc2=O)sc1C 19749258 NQBBZRMMFXPNNW-GOSISDBHSA-N 440.529 2.175 0 40 IEAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)CC(=O)Nc2ccccc2F)cc(N(C)C)n1 19763380 PFPAHQWJNMJNHK-LJQANCHMSA-N 428.512 2.436 0 40 IEAB CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1 20357725 LNGWVZBNOGLPNY-UHFFFAOYSA-N 431.562 2.351 0 40 IEAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)N1CCN(c2ncccn2)CC1 23138479 GFJXYWODXMFTMG-UHFFFAOYSA-N 436.541 2.052 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cn1c(SC(F)F)nc2ccccc21 30583801 YVVPLAJJFWVOKB-LBPRGKRZSA-N 432.518 2.281 0 40 IEAB CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccnc(N2CCOCC2)c1 30636590 VZNCAGHCIQCFHS-QFIPXVFZSA-N 449.555 2.399 0 40 IEAB CCCN(CC1CC1)S(=O)(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 32770743 LDZWXTVVVRJAND-UHFFFAOYSA-N 429.608 2.318 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(=O)c1ccc(OC)c(OC)c1 41097376 ZAHYRDQLDNDYSK-SFHVURJKSA-N 428.485 2.114 0 40 IEAB O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)N[C@@H]1CCc2ccccc21 49421723 JCEJVRDKIVMVIW-GOSISDBHSA-N 427.457 2.019 0 40 IEAB Cc1cccc(Cl)c1NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520713 CFCKMNWKDXIKLZ-UHFFFAOYSA-N 433.921 2.357 0 40 IEAB COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1 57594702 GNRRQDPJTQPNJQ-JOCHJYFZSA-N 446.511 2.118 0 40 IEAB CC(C)C(=O)N[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)C1 58202096 UTUIZXGSUGQFHM-XDHUDOTRSA-N 440.544 2.139 0 40 IEAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@@H](c2cccc(O)c2)C1 95532131 OAXYYJYPJOWRSN-GOSISDBHSA-N 431.470 2.306 0 40 IEAB O=C(CCn1ccc(=O)[nH]c1=O)N1[C@H]2CC[C@@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 100112773 JBBIPQIAQHOACL-QRTARXTBSA-N 437.418 2.404 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222934435 ZOPICDTYISIKKJ-HXUWFJFHSA-N 431.558 2.314 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCOc1cccc(C)c1C 223952681 ATCAPZFWUXUXLR-UHFFFAOYSA-N 445.585 2.357 0 40 IEAB C[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1 408614839 ITLZUAZIVCFWSL-GJZGRUSLSA-N 445.903 2.207 0 40 IEAB CCn1cc(C(=O)Nc2cc3c(cc2F)N(C)S(=O)(=O)N3C)c(=O)c2ccc(C)nc21 575610911 CDSMNHITEYAERS-UHFFFAOYSA-N 445.476 2.247 0 40 IEAB O=C1CCCN1CCCOc1ccc(CNC[C@]2(O)CCN(c3ccc(F)cn3)C2)cc1 585271217 UONFVRMLUGWTAT-XMMPIXPASA-N 442.535 2.343 0 40 IEAB COC(=O)CN1C(=S)N(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 872299 JMIOZQIBNKSPPD-SFHVURJKSA-N 441.509 2.195 0 40 IEAB COc1ccc(N2CCCn3c2nc2c3c(=O)n(CC(=O)c3ccccc3)c(=O)n2C)cc1 8708920 HZOLKUMEEUCONW-UHFFFAOYSA-N 445.479 2.330 0 40 IEAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12)c1ccccc1 8764603 NICGCBKJLRXPIT-QFIPXVFZSA-N 443.551 2.414 0 40 IEAB biogenic Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1 8848019 XGJLZUYKJWUHMC-UHFFFAOYSA-N 445.541 2.276 0 40 IEAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1cccc(OC)c1OC 8943429 JMZRDMJXAPTRGQ-UHFFFAOYSA-N 446.533 2.054 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 9049695 FNCLGXJXVFKITB-HOTGVXAUSA-N 426.510 2.028 0 40 IEAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N[C@@]1(C)CCS(=O)(=O)C1)n2CC 9155274 DMJICSTZUHBWMH-IBGZPJMESA-N 439.559 2.018 0 40 IEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9222587 FOJUQEYQFAHHHC-UHFFFAOYSA-N 448.545 2.054 0 40 IEAB C[C@H](Sc1nnc(CNC(=O)c2ccc3c(c2)OCO3)n1C)C(=O)Nc1nccs1 9426792 RMFQZGIJSZYFOC-JTQLQIEISA-N 446.514 2.050 0 40 IEAB O=C(CCNC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Nc1nccs1 9476886 UIOXWVHRQZUART-UHFFFAOYSA-N 426.502 2.121 0 40 IEAB CC(C)Cn1c(N)c(C(=O)CSc2nccn2-c2cccc(F)c2)c(=O)n(C)c1=O 9477030 MSZNSXDMWMUDNF-UHFFFAOYSA-N 431.493 2.085 0 40 IEAB COc1ccc(C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1S(=O)(=O)NC1CC1 9783064 WRTUNLMZEXKQDD-INIZCTEOSA-N 432.498 2.048 0 40 IEAB Cn1c(OCc2ccco2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C 9886112 KOGIMUJOVVQGBN-UHFFFAOYSA-N 445.273 2.417 0 40 IEAB COc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1OC 10293937 GUNJZBGMMXJRAI-UHFFFAOYSA-N 441.484 2.017 0 40 IEAB CCc1cc(O)n2nc([C@@H]3CCCCN3C(=O)C3CCN(S(=O)(=O)CC)CC3)cc2n1 12161397 PXULUKRTDJPWCP-SFHVURJKSA-N 449.577 2.113 0 40 IEAB CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1nc2ccccc2c(=O)[nH]1 12746649 ZCYQQCWPDSKGHZ-UHFFFAOYSA-N 439.541 2.423 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1 14240907 KGEQLCUBGUBADH-UHFFFAOYSA-N 441.597 2.474 0 40 IEAB Cc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1 17041843 GBIXYHINEACQHO-UHFFFAOYSA-N 432.455 2.370 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccccc1 17100282 JDOHYXNJOJZTRX-RTWAWAEBSA-N 436.512 2.224 0 40 IEAB Cn1c(=O)c2c(SCC(=O)Nc3ccc(F)cc3)nc(CC(C)(C)C)nc2n(C)c1=O 17112810 SRYHTQPKPKHRRV-UHFFFAOYSA-N 445.520 2.486 0 40 IEAB O=C(CN1CCN(C(=O)c2cccc(I)c2)CC1)N1CCCCC1 18234413 NDWZDPWJHXCARH-UHFFFAOYSA-N 441.313 2.062 0 40 IEAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)CCn2cnnn2)CCO1 19696754 DNMQOXVPWYCANJ-OAHLLOKOSA-N 428.518 2.016 0 40 IEAB Cc1nc(C2CCN(C(=O)[C@H](C)N3CCCC3=O)CC2)nc2c1CCC(=O)N2CC(C)C 19739481 FSVDNYUDURRVTH-KRWDZBQOSA-N 441.576 2.437 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 19741512 ATJQGWJEQHRFLE-CQSZACIVSA-N 448.520 2.410 0 40 IEAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)C[C@@H](C)O1 21063313 WWIMFZOAJZVSQU-OKILXGFUSA-N 443.997 2.398 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCC5)CC2)cc1 21848568 JCSBTHHFCZUUJH-UHFFFAOYSA-N 444.582 2.288 0 40 IEAB COc1cc(N2C[C@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2=O)cc(OC)c1OC 23112711 PWGVAUSPYNDFBR-CYBMUJFWSA-N 448.497 2.108 0 40 IEAB COc1ccc(N2C(=O)NC(=O)/C(=C(\NCCc3cnc[nH]3)c3ccccc3)C2=O)cc1 25180472 CBQCFKLESMUZFS-FMQUCBEESA-N 431.452 2.245 0 40 IEAB O=C1CN(C(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CCN1 33019825 MUAUNKWIRCLDOM-UHFFFAOYSA-N 428.297 2.366 0 40 IEAB COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3C3CCCCC3)N2C)cc1 35442420 YLUJEQGMVPYKRW-FJIJXJHWSA-N 442.604 2.297 0 40 IEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 35672540 HJEQXHIYEKWSAC-MRXNPFEDSA-N 425.528 2.082 0 40 IEAB CC[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1 36312410 RNXBAYSQRRPAKN-KRWDZBQOSA-N 443.635 2.402 0 40 IEAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCN(c3ccccn3)CC1)cn2CCC(=O)O 36365483 HAAPTAKKKWCNJV-QFIPXVFZSA-N 438.484 2.468 0 40 IEAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1)C(=O)OC 36569514 GQOZIEFEUMVZSM-CRAIPNDOSA-N 434.880 2.215 0 40 IEAB COc1ccc(NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1NC(=O)c1cccc(F)c1 46844447 SRGLEKGBNPIQDY-UHFFFAOYSA-N 440.431 2.343 0 40 IEAB CC[C@H](C)N(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 57463337 UFGYTZPKBWXJIH-QFBILLFUSA-N 427.998 2.276 0 40 IEAB CN(C(=O)c1ccc(N2CCCS2(=O)=O)cc1)C1CCN(Cc2ccncc2)CC1 58166294 JVBBQNAAGCJLDN-UHFFFAOYSA-N 428.558 2.358 0 40 IEAB COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 95477765 BWSAHWCPQLNWHO-RTWAWAEBSA-N 426.469 2.294 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(OC)c(Cl)c4)[C@@H]3C2=O)cc1 101166001 JEAMLODEPAPNNB-ROUUACIJSA-N 443.847 2.289 0 40 IEAB CC[C@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)O 101412581 QWAQVSQFHMTKIR-XHDPSFHLSA-N 440.547 2.429 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCCN2CCCc3ccccc32)cc1 225091052 MYZKPUOYMMCURJ-UHFFFAOYSA-N 427.526 2.461 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCCN(C(=O)c3csc(-c4ccccc4)n3)CC2)c1 238926198 UQYJOUKIMIRYLY-UHFFFAOYSA-N 431.543 2.080 0 40 IEAB CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@H]2O[C@@H]3c4ccccc4OC(C)(C)[C@H]3C[C@@H]2C1 257257487 KPVJXQVJZUCZQO-XAIUOZLPSA-N 428.529 2.134 0 40 IEAB COc1ccc(C)cc1N([C@H](C)C(=O)NC[C@H]1COc2ccccc2O1)S(C)(=O)=O 260910276 XQOSZXHTJPWAQJ-CVEARBPZSA-N 434.514 2.114 0 40 IEAB CCOCC(=O)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(Cc1ccccc1)CC3 306131832 KQOOJQZRNSILTQ-UHFFFAOYSA-N 436.556 2.003 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3CC[C@@H](c4ccccc4)S(=O)(=O)CC3)ccc2N1 390830845 NUSTUUNSQJWDCX-IBGZPJMESA-N 434.539 2.122 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(C)CC1)c1ccc(F)cc1 408586102 AFNIIISBACUCMA-UHFFFAOYSA-N 435.521 2.112 0 40 IEAB COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c(OC)c1 409149412 FQAOGXVWZLURDX-UHFFFAOYSA-N 429.292 2.383 0 40 IEAB Cc1cc(C)cc(-n2nc(NC(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)cc2C)c1 537450735 YPMAJDNJILXXMI-UHFFFAOYSA-N 432.484 2.304 0 40 IEAB O=C(Cn1ccnc1)N1CCC(CCCC2CCN(C(=O)Cn3ccnc3)CC2)CC1 574950469 CTPOBGOZTKIUOR-UHFFFAOYSA-N 426.565 2.427 0 40 IEAB COc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccn2)ccc1-n1cnnn1 934246 ZZRJNWSZSRVLSE-UHFFFAOYSA-N 436.497 2.457 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)C(C)(C)C)n2N)c1 3294502 JSXDTTOJZVYLCX-UHFFFAOYSA-N 425.580 2.397 0 40 IEAB O=C(COC(=O)C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(Br)cc1 9129174 AMZUEMLWPJANOU-CYBMUJFWSA-N 440.319 2.415 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 9284322 MLTIIYJXGMZDHW-UHFFFAOYSA-N 437.525 2.264 0 40 IEAB Cn1c(=O)c2c(SCC(=O)NC3CCCCC3)nc(-c3cccs3)nc2n(C)c1=O 9411575 GTHPYHPDLZTHNH-UHFFFAOYSA-N 445.570 2.297 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(C(=O)C[C@@H]4CC(C)(C)OC4=O)CC3)c(=O)c2c1C 12188655 FPLVMKZPMAHINO-OAHLLOKOSA-N 447.557 2.160 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)C1 12595039 DPBSGVPVEAJXGW-KDURUIRLSA-N 426.561 2.076 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)c1 12877155 SQIHNWWFWGPDCL-TZMCWYRMSA-N 436.461 2.266 0 40 IEAB Cc1nn(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)c2ccccc12 12878368 HMWGWADBVYYHIB-UHFFFAOYSA-N 432.933 2.322 0 40 IEAB COc1ccc(-c2noc(COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)c(OC)c1 13163579 DDNXPMHVQMNKJT-GJZGRUSLSA-N 441.440 2.138 0 40 IEAB COc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccco4)C[C@]34C=C[C@H]2O4)cc(OC)c1OC 13610083 ISXOWZYGLYPNPI-MUXOPTKESA-N 440.452 2.226 0 40 IEAB Cc1cccc(OCCNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c1 18147589 PZJGQNICIWXDOZ-UHFFFAOYSA-N 444.557 2.260 0 40 IEAB Cc1ccc(F)c(S(=O)(=O)NCCc2nc(NC3CC3)ncc2C(=O)N2CCCC2)c1 19697820 OCEYQIRNIOOTMG-UHFFFAOYSA-N 447.536 2.255 0 40 IEAB O=C(Cn1cc(C(=O)N2CCC[C@@H](CN3CCCC3)C2)ccc1=O)NCc1ccccc1 19751014 SMYLMWRJPDKGHC-NRFANRHFSA-N 436.556 2.113 0 40 IEAB COCCNC(=O)c1cc([C@@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)nc2ccccc12 19762858 OROOZRKLZBJTFE-QFIPXVFZSA-N 449.511 2.232 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(C(=O)OC)c2)cc1 21473448 RTYDHXGHXCGTRS-UHFFFAOYSA-N 427.500 2.271 0 40 IEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)OCC(=O)c1ccc(Br)s1 23674069 DATPFTFHQQMWPU-UHFFFAOYSA-N 429.292 2.491 0 40 IEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 29021557 DDMHZZGAKXQDDO-UHFFFAOYSA-N 433.464 2.289 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3c(C)nn(C(F)F)c3C)CC2)cc1OC 36614912 VENJRVNASYADNW-UHFFFAOYSA-N 444.504 2.419 0 40 IEAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)o1 59005051 POGUNBDWPYFEAY-GOSISDBHSA-N 443.428 2.099 0 40 IEAB CCCc1nc2c3cc(OC)c(OC)cc3n(CC(=O)NCCc3ccccc3)c(=O)n2n1 65534874 DAGAFWOGEKACDE-UHFFFAOYSA-N 449.511 2.373 0 40 IEAB Cc1nn(C[C@H](C)C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1C 72338887 SHCJSRAVPFONIN-LHSJRXKWSA-N 445.589 2.413 0 40 IEAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)[C@@H](C)c1n[nH]c(=O)c3ccccc13)CC2 72347118 BVJOJPUXNXXSHR-HNNXBMFYSA-N 446.511 2.010 0 40 IEAB COc1ccc(C2(CN3CCC(NC(=O)CN4C(=O)CNC4=O)CC3)CCCCC2)cc1 72393619 SKFINGFJQJKPLX-UHFFFAOYSA-N 442.560 2.030 0 40 IEAB COc1ccc(/C=c2/sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)c(OC)c1OC 95950386 MUZIRGJCQBJVGS-YBFXNURJSA-N 433.489 2.260 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 245265790 IBVMBBMYHBTRJM-HZMTTXTESA-N 432.517 2.306 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)Cc1ccc(F)cc1 408620023 IUPSDSWWZPVEPG-VMPITWQZSA-N 445.560 2.445 0 40 IEAB C[C@@]1(NC(=S)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)CCS(=O)(=O)C1 575424688 VNNBUSWKGOKTOP-QGZVFWFLSA-N 425.557 2.445 0 40 IEAB COc1ccc(CNC[C@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@H]2O)cc1OC 643551370 HPSNRTFAQULWNA-GGAORHGYSA-N 448.947 2.014 0 40 IEAB COc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CSCC(=O)O)C2)cc1 4237069 VXRMIPOYBCVLMH-GOEBONIOSA-N 428.510 2.287 0 40 IEAB biogenic,in-vitro O=C(O)C1CCN(C(=O)CCCCCN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)CC1 5423630 CAJNJRJLMPUXSD-IBGZPJMESA-N 427.501 2.259 0 40 IEAB COc1ccc(CCNC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OC 8439315 IDLSIDRAJYBIPX-UHFFFAOYSA-N 436.530 2.146 0 40 IEAB COc1cc(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)cc(OC)c1OC 8671120 YDSMCIXKMYQKAH-UHFFFAOYSA-N 447.513 2.200 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1 9604043 OGNDDIHJJQZUGI-UHFFFAOYSA-N 438.461 2.361 0 40 IEAB O=C(COC(=O)c1cccc(Cl)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9665274 XOMDWRQVOJBXBM-UHFFFAOYSA-N 438.889 2.156 0 40 IEAB CCCCCN(C(=O)COC(=O)/C=C/c1ccco1)c1c(N)n(CCCC)c(=O)[nH]c1=O 9884699 ATMYIAXMKLZVRE-ZHACJKMWSA-N 446.504 2.292 0 40 IEAB COC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CC1 10542006 KOXSXOUPVYSZSE-UHFFFAOYSA-N 446.525 2.302 0 40 IEAB Cc1nc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)nn1-c1ccc(F)cc1 11451918 MBPFEFPBKGBJDV-UHFFFAOYSA-N 449.533 2.359 0 40 IEAB COc1cccc(-c2nnc3ccc(OCCNS(=O)(=O)Cc4ccccc4)nn23)c1 11694568 BUIAMUAIWMRRDA-UHFFFAOYSA-N 439.497 2.298 0 40 IEAB O=C(Nc1nc2ccc(F)cc2s1)c1cc(S(=O)(=O)N2CCOCC2)ccc1O 12421815 YUTXPYKQBZSZIG-UHFFFAOYSA-N 437.474 2.414 0 40 IEAB COc1ccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c(OC)c1OC 12506231 BBPZXXIHBCSZTJ-LJQANCHMSA-N 425.445 2.320 0 40 IEAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12779327 VQDVPXGYGNRCEL-UHFFFAOYSA-N 443.525 2.196 0 40 IEAB COc1ccccc1C(=O)NCCC(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 13009343 PQPPNRKJEKSGRK-FQEVSTJZSA-N 429.492 2.144 0 40 IEAB COC(=O)CSc1nc2ccccc2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 13149675 FUBWLOBKHHXHKE-UHFFFAOYSA-N 436.493 2.449 0 40 IEAB CCn1c(Cc2ccccc2)nnc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 13150064 HPGNBBAAPARADA-UHFFFAOYSA-N 442.545 2.267 0 40 IEAB NC(=O)c1c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)sc2c1CCCC2 13778646 QACKRQHUDPZNHF-LBPRGKRZSA-N 441.509 2.489 0 40 IEAB O=c1cnc2ccccc2n1CCS(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14123818 PRZGDADOPIIQAE-GOSISDBHSA-N 441.509 2.335 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCc1c[nH]c2ccccc12 17295676 IOHVNENCPOZHNP-UHFFFAOYSA-N 441.553 2.480 0 40 IEAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(C)CC3)cc2c1 19499582 MBVKYRZCYJQRMG-HXUWFJFHSA-N 439.564 2.395 0 40 IEAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc(C)cc3)[nH]c2=O)C1 19520460 ZKAFDPRMRCNZHI-LJQANCHMSA-N 444.557 2.154 0 40 IEAB Cc1c(S(=O)(=O)N2CCC(c3n[nH]cc3C(=O)N3CCCCCC3)CC2)cnn1C 19553856 NARINAUCEHBUTN-UHFFFAOYSA-N 434.566 2.036 0 40 IEAB COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)[C@H]4CC(=O)N(C)C4)C3)cc2)cc1 19587199 DOOPEFNCOUHJQR-HFZDXXHNSA-N 449.551 2.477 0 40 IEAB COc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2cccnc2N3C)cc1Cn1cccn1 19590905 DNQRCAJMTYYKKA-UHFFFAOYSA-N 446.511 2.147 0 40 IEAB CN(C)c1ncc(-c2cncnc2)c([C@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 19692653 LCGPJGOXJVVCFG-LJQANCHMSA-N 438.463 2.118 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)C2 19739618 QQXLGMRWZSTUBK-IBGZPJMESA-N 427.549 2.444 0 40 IEAB CN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2Cl)CC1 19819896 RFWFXSVTVOTNIR-SFHVURJKSA-N 437.949 2.336 0 40 IEAB COc1ccc(N2C(=O)C=C(NCCCN3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 19900262 NDKBJVSXWJKDLE-UHFFFAOYSA-N 438.503 2.393 0 40 IEAB CCOC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 20560258 XRQAJFOFWLIXND-JOCHJYFZSA-N 435.528 2.383 0 40 IEAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23012736 KIZOXYOCFPINOX-UHFFFAOYSA-N 436.512 2.265 0 40 IEAB CC(C)NS(=O)(=O)c1cccc(C(=O)OCCCN2C(=O)c3ccccc3C2=O)c1 24837841 BOUXPQFRZSSGAA-UHFFFAOYSA-N 430.482 2.216 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3ccccn3)c12 25705797 CLEZATYOOMPQDX-INIZCTEOSA-N 425.514 2.302 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCc3ccccc3C2)c1 28651656 UQQPALPPJWTXQY-UHFFFAOYSA-N 429.542 2.032 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 32836523 NBIWHVHGVXCPTH-VMPITWQZSA-N 427.570 2.250 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)CNC(=O)N1CCN(c2ccccc2)CC1 44918670 SPCAIFFQOYHBPY-UHFFFAOYSA-N 425.489 2.124 0 40 IEAB C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 57614620 UMCQOUSFDMYXGZ-CQSZACIVSA-N 448.511 2.169 0 40 IEAB CC[C@@H](C)NC(=O)CN1CCN(CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1 58666406 RNIZCBTXAMNYBW-JNDNBTNTSA-N 449.640 2.393 0 40 IEAB CCOC(=O)N1CCC(NC(=O)c2cn(-c3cc(-c4nc(CC)no4)ccn3)cn2)CC1 71768544 FAAMQGFWNZDSMQ-UHFFFAOYSA-N 439.476 2.230 0 40 IEAB O=S(=O)(Cc1noc2ccccc12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 96124206 KJXVWWNLWSTCIQ-UHFFFAOYSA-N 445.482 2.361 0 40 IEAB CCCCOc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)nc2N(C)C)cc1 224346498 HTTDTGIOAGEGGY-UHFFFAOYSA-N 435.550 2.359 0 40 IEAB CCN1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 224440019 ZBHPJZBRKOABMJ-UHFFFAOYSA-N 431.558 2.294 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)NCc3cc(-c4cnccn4)nn3C)n(C)n2)c1 253471921 GQBKFDNIRQOMLK-UHFFFAOYSA-N 433.472 2.225 0 40 IEAB O=C(O)CN(Cc1cccc(F)c1F)C(=O)[C@@H]1OCC(=O)N[C@@H]1c1ccc(Cl)cc1 257294919 QWHFNAHLTCAPJO-RTBURBONSA-N 438.814 2.288 0 40 IEAB COc1ccccc1[C@@H]1CN(CC(=O)NCc2nc3ccccc3n2C)CCN1C(C)=O 257308980 TYZQSJUDWZXAJY-NRFANRHFSA-N 435.528 2.104 0 40 IEAB O=C(C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cncnc2)C1)N1CCOCC1 257335814 YLZSDWPPEPNZQY-HSZRJFAPSA-N 442.491 2.166 0 40 IEAB COc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc(OC)c1OC 409210527 JIOMCWYTFZCKCU-LWLPBDFMSA-N 436.486 2.044 0 40 IEAB O=C(NC[C@H]1OCCc2cn(Cc3ccccc3)nc21)N1CCN(c2ccncc2)CC1 585112120 LROJDCNSRLBHHM-JOCHJYFZSA-N 432.528 2.472 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C)CC2)C12CN(Cc1cccn1C)C2 1549166634 HCKQYRWTNJDXTM-QHCPKHFHSA-N 449.599 2.002 0 40 IEAB COc1ccc(NS(C)(=O)=O)cc1NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 1556710147 XOAVVQHQGOJGLW-ZIAGYGMSSA-N 434.518 2.328 0 40 IEAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1n[nH]c(=O)[nH]c1=O 3225403 WBUUZHUUQRNDSO-UHFFFAOYSA-N 432.483 2.094 0 40 IEAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC[C@H]2COc3ccccc3O2)c1 9255411 FJSUZHZWVOCMQT-INIZCTEOSA-N 445.541 2.107 0 40 IEAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 9355958 UKAHJJSTQRBPJW-NRTGNBEESA-N 440.235 2.259 0 40 IEAB COc1cc2c(cc1OC)CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)CC2 9465353 SXCSJOQGBBVUKA-UHFFFAOYSA-N 437.418 2.234 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 9539943 QABVDVGLDDPKSA-UHFFFAOYSA-N 446.934 2.170 0 40 IEAB Cc1cccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 9665595 SLRBRZLPMZNELC-UHFFFAOYSA-N 432.498 2.120 0 40 IEAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9729661 CCRLZGYULOPFLT-UHFFFAOYSA-N 447.904 2.194 0 40 IEAB CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCC[C@H](c2nc3ccccc3cc2N)C1 12088022 POLMNLQEUAUBQC-KRWDZBQOSA-N 437.544 2.040 0 40 IEAB CCN(C(=O)CSc1nc(C)cs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12550016 QFSMKJANKCVMPP-UHFFFAOYSA-N 431.543 2.077 0 40 IEAB Cc1sc2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n(C)c(=O)c2c1C 12567824 OWYLCAKJJNWMMO-UHFFFAOYSA-N 446.554 2.282 0 40 IEAB O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12804299 RKGFOZBPXIULBB-FQEVSTJZSA-N 435.496 2.291 0 40 IEAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 12810731 AMDXWPSRLMGLAD-OAHLLOKOSA-N 429.473 2.404 0 40 IEAB C[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@@H]1C 12982625 GSXIXOOUZGWGJL-HOTGVXAUSA-N 430.526 2.301 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 13716242 GVDLIPOZUJLMQH-GOSISDBHSA-N 425.551 2.149 0 40 IEAB O=C(CSc1nnc2n1CCCCC2)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 14141949 JZCWTBSMZCNYOL-INIZCTEOSA-N 426.608 2.445 0 40 IEAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1ccccc1Cl 17177928 GBIQQJBXGQETMX-QGZVFWFLSA-N 431.876 2.197 0 40 IEAB CN(C)c1ncccc1CN1CCO[C@@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19703260 ANOMAXKORZVATD-QGZVFWFLSA-N 441.557 2.053 0 40 IEAB COc1ccc(C(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)c(OC)c1 19755615 LNFMZEOVGBJSSQ-LJQANCHMSA-N 440.500 2.252 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(-n3ccnc3C)cc2)Oc2ccccc21 20037328 QHHSTWCKRDCCQU-OAQYLSRUSA-N 440.525 2.414 0 40 IEAB CCCNC(=O)Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccc(F)cc3)C1)CSC2 23138798 RATYGTYKXXQDJT-ZDUSSCGKSA-N 445.520 2.287 0 40 IEAB CNC(=O)c1ccc(CN(CC(=O)Nc2sccc2C(N)=O)Cc2ccco2)cc1 27574675 OBXWBTBKHLKMJC-UHFFFAOYSA-N 426.498 2.441 0 40 IEAB COc1ccc(-n2ncc(C(=O)NC[C@H]3COc4ccccc4O3)c2C(F)(F)F)nn1 32905833 YKYXXPCCBUNGBX-NSHDSACASA-N 435.362 2.260 0 40 IEAB COc1c(C)c2c(c3c1CC[C@@](C)(CCC(=O)OCCN1CCOCC1)O3)C(=O)OC2 67665232 QDIMPRIPGJUFLH-QHCPKHFHSA-N 433.501 2.413 0 40 IEAB in-vitro C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 72345342 WILDIILMECNOTF-HLAWJBBLSA-N 438.572 2.263 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H](O)c3ccc(Cl)c(F)c3)C2=O)cc1 89629924 XGZXAKIGHKPRHK-UWJYYQICSA-N 433.867 2.404 0 40 IEAB CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 95994891 MZQNHEQSFSPLKO-MRXNPFEDSA-N 435.546 2.118 0 40 IEAB Cc1ccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)cc1 96226084 ZQOGQBUOPZOIHI-NRFANRHFSA-N 431.489 2.360 0 40 IEAB COC(=O)Cn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc3c(cc21)OCO3 101035431 HMJNUZCGMAXITH-DQRAZIAOSA-N 438.417 2.452 0 40 IEAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCC[C@H]2C(=O)O)c2cc(Br)ccc21 101094538 IKXKMVQWCXJGRS-DZGCQCFKSA-N 425.235 2.163 0 40 IEAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1CCCN1CCOCC1 223572558 PUBAGUDYUQACDJ-FCHUYYIVSA-N 443.617 2.187 0 40 IEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 225281770 CIAMOJCHHJWZTJ-MSOLQXFVSA-N 434.514 2.196 0 40 IEAB CN1c2ccccc2N(CCNS(=O)(=O)c2ccccc2C(F)(F)F)S1(=O)=O 245170765 XFJCHXCXMOKZHD-UHFFFAOYSA-N 435.449 2.185 0 40 IEAB CNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cn2ccnc2C)CCN1Cc1ccccc1 257245952 IRVCXNUGQCIWIX-QHCPKHFHSA-N 431.540 2.312 0 40 IEAB CN1CCC(Cc2ccccc2F)(C(=O)NC[C@]2(O)CCCN(c3cnccn3)C2)CC1 257260279 LCDBAHIJHLDRRA-XMMPIXPASA-N 441.551 2.018 0 40 IEAB COC(=O)c1cc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc(C(=O)OC)c1 408621909 QCLANIYWWJJFLO-UHFFFAOYSA-N 448.497 2.281 0 40 IEAB COc1cccc(-c2ccc3c(c2)O[C@H]2CN(C(=O)N4CCOCC4)C[C@H]2N(C)C3=O)c1 514290072 RRNAZIOOWSCAAQ-IRLDBZIGSA-N 437.496 2.332 0 40 IEAB biogenic,in-vitro C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCCCC(=O)N=c1cc[nH]cc1 524729043 AOAKRDANRPWBMJ-XZOYJPPVSA-N 436.512 2.229 0 40 IEAB biogenic O=C(COc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1)N1CCOCC1 585270454 KOCAAVLNODWLTI-RUZDIDTESA-N 440.540 2.330 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1 2617340 ZCPXAJAPPVENCW-UHFFFAOYSA-N 428.413 2.334 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)sc(C)c1C 3542229 LUTGAYKWJCYPNZ-UHFFFAOYSA-N 431.474 2.392 0 40 IEAB COC(=O)C(=O)c1c(-c2ccc(O)c(OC)c2)nc2[nH]n(-c3ccccc3)c(=O)c2c1O 5314712 HFUBSVFTVKKLFA-UHFFFAOYSA-N 435.392 2.156 0 40 IEAB CN1C(=O)C2(Cc3ccccc3N3CCN(c4ccccc4F)C[C@@H]32)C(=O)N(C)C1=S 9186363 ZEJARUBBTLTZSI-LJQANCHMSA-N 438.528 2.279 0 40 IEAB N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 9613047 YIOKXYIOOGEDRA-NTUHNPAUSA-N 425.353 2.375 0 40 IEAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9632186 QCFZCTIBBNZYPC-UHFFFAOYSA-N 443.554 2.097 0 40 IEAB CCn1nnc2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)ccc21 9666506 HPJZCGBIGICWBP-UHFFFAOYSA-N 449.920 2.378 0 40 IEAB COc1cccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 9699335 XSBRQTXIKQDVPY-PEBXRYMYSA-N 431.489 2.314 0 40 IEAB COCCCNC(=O)CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12 9831358 BUCOGFLXSNPTEV-UHFFFAOYSA-N 433.512 2.372 0 40 IEAB COC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(CC(=O)N2CCOCC2)c1=O 11666789 TUBWAOSTJWWYFH-UHFFFAOYSA-N 433.464 2.223 0 40 IEAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 12229747 WVSZSCRBRGHEFE-UHFFFAOYSA-N 441.488 2.133 0 40 IEAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)cc1 12756264 QASZPUZYDCJMGG-UHFFFAOYSA-N 433.921 2.208 0 40 IEAB Cc1[nH]c(=O)sc1S(=O)(=O)Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 12821908 WEHCJRHGUIMIDI-UHFFFAOYSA-N 446.553 2.399 0 40 IEAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 12974554 CQKLVOLRGVWDSD-ZDUSSCGKSA-N 434.468 2.269 0 40 IEAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)cc1 13575153 NUXGIOJNBMXEGJ-UEXNTNOUSA-N 426.494 2.451 0 40 IEAB CN1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13691225 RZLMGBPSPSBDFH-UHFFFAOYSA-N 431.470 2.290 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 13714296 VEWMHMPJVTYIBA-MRXNPFEDSA-N 431.942 2.185 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 13990312 KTNVQPBCNSKAPB-UHFFFAOYSA-N 428.514 2.222 0 40 IEAB COCc1cnc2c(c1SCC(=O)Nc1ccc(C)c(Cl)c1)c(=O)n(C)c(=O)n2C 15883821 AHUXWOLGRJLOSW-UHFFFAOYSA-N 448.932 2.471 0 40 IEAB O=C(c1ccccc1O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 17908806 YFVGVZPYIJRHER-UHFFFAOYSA-N 430.404 2.438 0 40 IEAB Cc1cccc(C)c1OCC(=O)N1CCC(c2n[nH]cc2C(=O)N2CCOCC2)CC1 19236033 LUDNGRVSBWUMQQ-UHFFFAOYSA-N 426.517 2.284 0 40 IEAB O=C(Cc1ccccc1)N1CC[C@@H](c2nc(=O)c3c([nH]2)CN(Cc2cccnc2)CC3)C1 19370117 WBILYPXEHNDLGX-HXUWFJFHSA-N 429.524 2.282 0 40 IEAB CN1C[C@@H](C(=O)NCc2ccc(-c3n[nH]cc3C(=O)N(C)Cc3ccccc3)cc2)CC1=O 19587413 RVZKGHVXKKHFHJ-FQEVSTJZSA-N 445.523 2.443 0 40 IEAB COc1ccc(CNC(=O)c2cc(OC)c(OC)cc2N(C)S(C)(=O)=O)cc1OC 20030156 CGAUZUPREIHGOC-UHFFFAOYSA-N 438.502 2.047 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cccnc1N1CCOCC1 22323559 WFLDTNLGYZLMJX-UHFFFAOYSA-N 433.306 2.358 0 40 IEAB CCOC(=O)C1CCN([C@H](c2ccncc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697891 MZWHLFFOMAVPSH-OAQYLSRUSA-N 429.517 2.268 0 40 IEAB Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC2(c3ccccc3)CC2)c1 22976553 GONOCMSYKYGDRM-FQEVSTJZSA-N 428.554 2.376 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc2c(c1)CCC2 23055011 RHKHAHYIQALITQ-UHFFFAOYSA-N 430.526 2.386 0 40 IEAB O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134308 IYGNVRLKJDBMMR-UHFFFAOYSA-N 426.864 2.002 0 40 IEAB CCNC(=O)COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 23136298 GZQOMGAIXOMWIN-AWEZNQCLSA-N 431.514 2.164 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3ccccc3)CC2)Oc2ccc(Cl)cc21 38836108 RRCCNXIOSRQQSU-IBGZPJMESA-N 435.933 2.216 0 40 IEAB COC(=O)c1cnc(NC[C@@H]2CCCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1 40153546 WAPUSVFOLHHGSU-KRWDZBQOSA-N 445.541 2.421 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)NC[C@H]1CCCO1 57473063 PNVQJEJVPVBEHO-QGZVFWFLSA-N 427.888 2.160 0 40 IEAB CN(C)CC(C)(C)CNCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 58449063 WANZYSOLKRLPEX-UHFFFAOYSA-N 431.002 2.240 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1cnc2nc(N3CCCCC3)sc2c1=O 67317003 DOFMJCWCFFRFCT-UHFFFAOYSA-N 427.486 2.269 0 40 IEAB COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2CC(=O)N2CCCC2)nc1C 72346293 JMNWAGVHXZYEQV-FQEVSTJZSA-N 437.544 2.483 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc1 72394209 KSNPGQMMWHGDJF-HNNXBMFYSA-N 437.543 2.012 0 40 IEAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccc(OCc2ccccc2)cc1 95357353 ZDNBLGGFFOPSQL-UHFFFAOYSA-N 436.556 2.444 0 40 IEAB COC(=O)C1(O)CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CC1 95455800 USZXXTALSLNDTL-OAHLLOKOSA-N 433.555 2.487 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21)Nc1ccc2c(c1)OCO2 95481495 SHSNGYSNCAQDKC-IRXDYDNUSA-N 427.804 2.001 0 40 IEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)C(C)(C)NS(=O)(=O)c1cccs1 100724621 BHAKOJRISVMGQM-ZFWWWQNUSA-N 445.570 2.445 0 40 IEAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)O)CC1 100771089 KIDORVQUOANXCJ-VIQHNZTISA-N 441.569 2.438 0 40 IEAB Cc1cccc(N2C(=O)[C@H]3C=C[C@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C[C@H]3C2=O)c1 100930649 ZQSQZUXEKWFBQC-SLFFLAALSA-N 430.464 2.002 0 40 IEAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2CCCN21 101414035 HOIKFIMALMGQNA-CCIIEHSASA-N 445.475 2.197 0 40 IEAB Cc1cccc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1C 223951989 HFPQYBHHQRLCQE-UHFFFAOYSA-N 432.542 2.274 0 40 IEAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 224816275 OHIJERDUGLOMED-UHFFFAOYSA-N 431.558 2.294 0 40 IEAB COc1ncccc1CN1C[C@@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O 306139316 SUKKVFXLXVYMIQ-WIOPSUGQSA-N 445.523 2.277 0 40 IEAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 408615534 QIROSFVSBBDYBP-UHFFFAOYSA-N 432.546 2.420 0 40 IEAB CNC(=O)[C@H]1CN(C(=O)C2(c3ccccc3F)CCOCC2)CCN1Cc1ccccc1 585261784 MCVAOTUAULXEIE-JOCHJYFZSA-N 439.531 2.333 0 40 IEAB C=CC(=O)N1CCC(C(=O)NCc2cccc(N3CCOCC3)n2)(c2ccccc2)CC1 1138645182 WRSPMSUDECQSKA-UHFFFAOYSA-N 434.540 2.281 0 40 IEAB CC(C)Oc1ccc(CNC(=O)Cn2nc3n(c2=O)C(=O)N(c2ccc(F)cc2)C3)cc1 1547201249 SDUPQEHFKQABLZ-UHFFFAOYSA-N 439.447 2.276 0 40 IEAB CSc1nc(C2CCOCC2)cc(N2CCN(c3ncnc4c3ncn4C)CC2)n1 1888909651 WEOONIZCOZJBJD-UHFFFAOYSA-N 426.550 2.096 0 40 IEAB CC(C)[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1OC[C@@H](C)N)C(C)C)C(=O)O 2037879515 AWXCMEWZROHCAN-DQYPLSBCSA-N 427.929 2.046 0 40 IEAB O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 922373 UMISYAUNCZSWON-UHFFFAOYSA-N 444.492 2.339 0 40 IEAB CC(C)N(C(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)C(C)C 930471 SDMGERYVKIRUDO-UHFFFAOYSA-N 443.573 2.220 0 40 IEAB O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)NC[C@H]1CCCO1 2974155 BCGHHKSNPIEXPJ-CYBMUJFWSA-N 443.481 2.154 0 40 IEAB CCOC(=O)c1c(NC(=O)CSc2nnc(C(F)(F)F)n2N)sc2c1CCC2 3619734 LVXLHIZZMOLRGT-UHFFFAOYSA-N 435.453 2.468 0 40 IEAB COc1ccc(C(=O)O[C@H](C)C(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCCC1 8881636 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COc1ccc(OC[C@H](O)CN(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 12390016 WVPPMIXRLIUFKT-RTBURBONSA-N 435.542 2.133 0 40 IEAB C[C@@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCC1)N(C1CC1)C(=O)[C@@H]3[C@@H]2C(=O)NCc1ccccc1 12642422 BECBFNRVEMJVFB-JPJDGNMPSA-N 449.551 2.065 0 40 IEAB COc1cccc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2=O)c1 12874969 MJKJXGOXLXTVQE-MRXNPFEDSA-N 443.525 2.471 0 40 IEAB COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1 13508367 TUJQIMTUZSSFGD-QFIPXVFZSA-N 448.483 2.265 0 40 IEAB COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 13733477 BCSACSLBTHUEIJ-NSHDSACASA-N 444.918 2.462 0 40 IEAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2cccs2)CC1 14067761 MFAGQLBVZVPFNA-IBGZPJMESA-N 437.562 2.385 0 40 IEAB O=C(c1cc(O)nc2ccccc12)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 15038463 DYWXUXFYSWPXIU-UHFFFAOYSA-N 433.436 2.365 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)CSc2nnc3ccc(-c4ccccc4)nn23)cc1 19797180 AHOZHSKAMBOQDM-UHFFFAOYSA-N 440.510 2.170 0 40 IEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)O[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C 21331465 RUKRVYXWFRFHJE-INIZCTEOSA-N 446.525 2.316 0 40 IEAB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2)Nc1ccccc1 22909087 YCSSPPNTOSMBNV-UHFFFAOYSA-N 428.558 2.185 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2N2CCCC2=O)C1 24538304 LKMMVZBXYYHCSO-INIZCTEOSA-N 446.529 2.458 0 40 IEAB COc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC[C@@H]1C 32716750 KWSWZCVNNDJEPA-INIZCTEOSA-N 437.562 2.001 0 40 IEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F 32926733 JWYWEWIPOHISEI-UHFFFAOYSA-N 433.408 2.273 0 40 IEAB O=C(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 35155452 UAXDGUMYFFGRTH-HXUWFJFHSA-N 429.542 2.106 0 40 IEAB COc1ccc2nc(NC(=O)CNC(=O)N3CCN(c4ccccn4)CC3)sc2c1 49546123 ZQIVOIIGACSHPG-UHFFFAOYSA-N 426.502 2.170 0 40 IEAB CCCN1CCC(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 61510002 LWKJBEWREUFCIE-UHFFFAOYSA-N 432.384 2.304 0 40 IEAB COC(=O)[C@H](C)[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)c1ccccc1 72313094 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431.558 2.396 0 40 IEAB CN1CCC(Cc2ccccc2F)(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)CC1 257260278 LCDBAHIJHLDRRA-DEOSSOPVSA-N 441.551 2.018 0 40 IEAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 408563100 UBXHHPPPTXHQDG-UHFFFAOYSA-N 426.520 2.009 0 40 IEAB Cc1nc(C)n(C[C@@H]2CCCN(S(=O)(=O)[C@@H]3CCCN(C(=O)c4ccccc4)C3)C2)n1 542793044 QJNNUFUIJPUYHN-TZIWHRDSSA-N 445.589 2.242 0 40 IEAB CC(C)NC(=O)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(F)C1)C2 585107043 OXKUAWYIEVODKJ-OCJFHSIUSA-N 425.508 2.393 0 40 IEAB CCOc1ccc(-c2cc(C(=O)N3CCN(c4nc(C)c(F)c(O)n4)CC3)n(C)n2)cc1 1888904407 SISIHCSEFQEYEM-UHFFFAOYSA-N 440.479 2.391 0 40 IEAB Cc1ccsc1S(=O)(=O)N1C[C@H]2O[C@H](C[C@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 2055738838 USPYKRVBGJRLOP-CKEIUWERSA-N 436.511 2.202 0 40 IEAB O=C(O)C1CCN(C(=O)CCCCCNC(=O)N2CCn3c2nc2ccccc23)CC1 6662144 FGKHMNLJZLLVDS-UHFFFAOYSA-N 427.505 2.450 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccccc2)cc1 9356088 SGPZTICNSDPXLP-UHFFFAOYSA-N 428.514 2.294 0 40 IEAB O=S(=O)(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc2ccccc2c1 9441552 OEIMGGLVZIQCAA-UHFFFAOYSA-N 448.522 2.367 0 40 IEAB Cc1ccc(-c2csc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cc1 9493788 PPHORACWLSPLKA-AWEZNQCLSA-N 432.527 2.223 0 40 IEAB COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 9496710 XYMDCZBDMAATTA-UHFFFAOYSA-N 430.935 2.322 0 40 IEAB CC(=O)Nc1nc(SCC(=O)Nc2cc(C)on2)[nH]c(=O)c1NC(=O)c1cccs1 9518284 JTJBFQWYOGTSMO-UHFFFAOYSA-N 448.486 2.069 0 40 IEAB COC(=O)c1sc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)c(C(=O)OC)c1C 9644154 OYLWNPOJLPMCMA-UHFFFAOYSA-N 443.499 2.125 0 40 IEAB CCOc1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1S(=O)(=O)N1CCCC1 9671489 JHNKTRFJFFWVEF-UHFFFAOYSA-N 444.517 2.177 0 40 IEAB C[C@@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCC[C@H]1C 9787695 VUCWXKAETSTPPV-INMHGKMJSA-N 435.546 2.132 0 40 IEAB Cc1ccc(OCC(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1 9851783 TVAODPSZKDYCEP-UHFFFAOYSA-N 443.511 2.306 0 40 IEAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1)c1ccco1 10718532 MOWHISPFKJICCA-FQEVSTJZSA-N 434.496 2.169 0 40 IEAB CCn1cc(C(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21 11472118 CVGDXXINQHFVEM-CQSZACIVSA-N 437.452 2.315 0 40 IEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11672584 DBFBHZAMCPHZMZ-UHFFFAOYSA-N 442.516 2.479 0 40 IEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)C1=O 11764547 PXMVKRXKHYGSDF-JOCHJYFZSA-N 439.541 2.360 0 40 IEAB CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)c(=O)n1N 12348105 ANAKRMZVDNCGKO-UHFFFAOYSA-N 441.513 2.081 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cn2cnc3ccccc3c2=O)cc1 12771697 IVGQEBULEZYICO-INIZCTEOSA-N 442.541 2.304 0 40 IEAB Cc1cc(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)nc(C(C)C)n1 13114780 SJRROOIGIRJPSM-WAIKUNEKSA-N 442.564 2.058 0 40 IEAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c1 13566298 KXESMHQFZLUYEV-OAHLLOKOSA-N 447.513 2.072 0 40 IEAB COc1ccc(-c2noc(CNC(=O)CSc3nc(Cl)nc4nc[nH]c34)n2)cc1 13571015 ZYPXLAFWRQFZFZ-UHFFFAOYSA-N 431.865 2.473 0 40 IEAB CCOC(=O)C1=C(Cn2nnc(-c3ccccc3)n2)NC(=O)N[C@H]1c1ccc(OC)cc1 16046237 WHHYLRJLTVENTE-IBGZPJMESA-N 434.456 2.220 0 40 IEAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nnc(-c4ccccc4)s3)c2)CC1 18702526 FJVKQSGVUGYJCN-UHFFFAOYSA-N 443.554 2.394 0 40 IEAB Cc1ccn(CCC(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCCC3)C4)C2)n1 19238043 KHFRDCFXHZGICY-SFHVURJKSA-N 438.576 2.372 0 40 IEAB CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 19700120 UVRJNERFYDLONZ-NRFANRHFSA-N 434.540 2.267 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(CC(=O)N2CCCCC2)C1 19702038 XJYNFMOLXNTZTM-INIZCTEOSA-N 430.574 2.474 0 40 IEAB CCN(CC)CC(=O)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19703122 VNKRFQUKRHLDQC-KRWDZBQOSA-N 446.573 2.010 0 40 IEAB O=C1CCCN1c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20174382 VCZPFUSCPCSTLP-UHFFFAOYSA-N 443.525 2.049 0 40 IEAB COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)N3CCc4ccccc4C3)=C2)c1 20219953 GBUYYWNJYYPMCP-UHFFFAOYSA-N 441.509 2.152 0 40 IEAB COc1cccc(N2C[C@H](C(=O)NCCNC(=O)Cc3c[nH]c4ccccc34)CC2=O)c1 20735081 FMNDLARHGHHXHP-QGZVFWFLSA-N 434.496 2.005 0 40 IEAB O=C1C[C@H](N2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 22027813 JJMPDCYWLDYAGF-HNNXBMFYSA-N 437.834 2.099 0 40 IEAB O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1cccc(F)c1 22909017 AVTDPEHRWMGVRU-UHFFFAOYSA-N 446.548 2.324 0 40 IEAB C[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccc(C(F)(F)F)c1 32983520 WCNSBIANSZGTIX-RISCZKNCSA-N 431.436 2.048 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)N1CCC[C@H]21 35895250 RCOXOIANDIFCLC-WTGUMLROSA-N 436.439 2.447 0 40 IEAB COc1ccc(C(=O)N2CCC3(CC2)CN(c2ncccn2)C[C@]32CCN(C)C2=O)cc1 96262588 ZXVBGPDSXAEEDU-DEOSSOPVSA-N 435.528 2.076 0 40 IEAB COc1cc(OC)cc(OCC(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)c1 218899785 GUSRSJIHAOFASL-UHFFFAOYSA-N 429.429 2.466 0 40 IEAB Cc1ccc(C)c(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 224005266 VWYNWZAGVISIMR-UHFFFAOYSA-N 432.542 2.442 0 40 IEAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225589320 GCOPEFYVSYVFGN-AHRSYUTCSA-N 443.519 2.409 0 40 IEAB S=C(Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1)NC1CC1 226003380 QPLMGHHYHUMOTP-UHFFFAOYSA-N 439.589 2.089 0 40 IEAB COc1cccc2cc(C(=O)N3CCCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)oc12 239593163 DRYQGDSGMFXQRA-UHFFFAOYSA-N 432.502 2.020 0 40 IEAB O=C1CCCN1CCOc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cccn4nccc34)C2)c1 257292487 QLRZTFQAVHDFCU-NZQKXSOJSA-N 448.523 2.011 0 40 IEAB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408660341 NUJUHOPNXSMHLY-GNTOHDJUSA-N 447.285 2.046 0 40 IEAB CN(Cc1cccc(OCCN2CCCCC2)c1)C[C@]1(O)CCN(c2ncccn2)C1 585271438 FRHWUGMGTFGKQZ-XMMPIXPASA-N 425.577 2.415 0 40 IEAB Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1 1363847 RBTDIQKRUUOYLZ-INIZCTEOSA-N 426.502 2.010 0 40 IEAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)Nc1ccc2c(c1)OCCO2 3454927 PHFNHEKOFYZFMU-UHFFFAOYSA-N 427.482 2.281 0 40 IEAB CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 3882040 YNDXUCZADRHECN-VIJBJZGCSA-N 434.504 2.419 0 40 IEAB biogenic O=C(CNC(=O)C(=O)NCCc1cccs1)N[C@@H](c1ccccc1)c1cccs1 9387963 OAPDKOVYYJRMGI-IBGZPJMESA-N 427.551 2.490 0 40 IEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9413284 WSDOQEQLWWJXGM-HXUWFJFHSA-N 445.516 2.422 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1OC 9572656 WILCPBMSFKWFFX-UHFFFAOYSA-N 449.510 2.365 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(Cc3csc(C)n3)o1)n2C 9640232 XJPKAKYFIOJLNC-UHFFFAOYSA-N 447.546 2.254 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccccc2F)c1 9807491 JJCLVLMCBHQQCV-SFHVURJKSA-N 447.532 2.028 0 40 IEAB COC(=O)C1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)CC1 10541917 SNRIDEQADBLOMT-UHFFFAOYSA-N 446.525 2.302 0 40 IEAB COc1ccc(S(=O)(=O)NCCCn2nc(-c3ccccc3)ccc2=O)cc1OC 11738472 HFCBJSPEMDGBIR-UHFFFAOYSA-N 429.498 2.296 0 40 IEAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)N(C)S(=O)(=O)N1 12131118 WXXKUGMNOZVRIN-GJZGRUSLSA-N 432.333 2.254 0 40 IEAB COc1ccccc1CNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC 12662126 MGJHQAFABMJJNB-NYHFZMIOSA-N 440.452 2.189 0 40 IEAB biogenic O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(F)(F)F)c1cnccn1 13134731 PERVSDXIFYAJAE-UHFFFAOYSA-N 430.408 2.455 0 40 IEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc(C(=O)OC)cc2)c(=O)[nH]c1=O 14623260 HYCNLIZAPDPZQH-UHFFFAOYSA-N 430.505 2.398 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 16187596 STWPYOLBPNMRRT-RMKNXTFCSA-N 443.569 2.173 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)c1 16208406 FZYQAJPGDQQXLC-SFHVURJKSA-N 448.472 2.112 0 40 IEAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1F 16995144 OOEQLEFIKLOYTK-QKFKETGDSA-N 439.443 2.398 0 40 IEAB CN(C)C(=S)/N=c1\ss/c(=N\C(=S)N(C)C)n1-c1ccc(N(C)C)cc1 18091236 GUMQXHUNOMRTJY-IQRFGFHNSA-N 426.662 2.161 0 40 IEAB Cc1ccc2c(c1)C(=O)N[C@]1(CCC(=O)N(CC(=O)NCc3ccc(F)cc3)CC1)O2 19218840 AYLLNNFJPWKLJF-HSZRJFAPSA-N 425.460 2.282 0 40 IEAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc2c1 19220912 DZASHOHHWGHWGA-OAQYLSRUSA-N 434.475 2.432 0 40 IEAB CN1CCN(C2CCN(c3nc(N(C)C)nc4c3CCN(Cc3ccccc3)C4)CC2)CC1 19589970 SCFDRVUZBOJHHU-UHFFFAOYSA-N 449.647 2.317 0 40 IEAB CC(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699960 KDJILJSFNBEMRI-HXUWFJFHSA-N 426.561 2.263 0 40 IEAB CCn1cc(CN2CCO[C@@H](c3c(C(=O)NCCOC)sc4ncccc34)C2)cn1 19703176 MMHXPMUBWMXDHG-QGZVFWFLSA-N 429.546 2.462 0 40 IEAB COCCn1c(=O)n(C)c(=O)c2ccc([C@H]3CCCN(Cc4ccc(F)cc4)C3)nc21 19743582 MNONEYYAQDULAD-KRWDZBQOSA-N 426.492 2.260 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 20006846 UHCBVQSKAJOAPL-MOPGFXCFSA-N 432.542 2.188 0 40 IEAB CCN(CC(=O)NCc1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(F)ccc1OC 20016023 LXGVXTNWACXHBC-UHFFFAOYSA-N 440.493 2.179 0 40 IEAB CC[C@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22327684 KEMMNXGZMLVHJV-IBGZPJMESA-N 438.571 2.432 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)C(=O)N2CCN(C)CC2)cc1 22996821 NIHHQJYVUSBGEO-UHFFFAOYSA-N 448.520 2.131 0 40 IEAB Cc1ccc(Cn2nnc3c(=O)n(Cc4nc(-c5ccc6c(c5)OCO6)no4)cnc32)cc1 23126553 HUBFJMKAJJXQHT-UHFFFAOYSA-N 443.423 2.172 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 32824078 CTWAMZHIDCZLRI-NSHDSACASA-N 434.889 2.451 0 40 IEAB Cc1oc(-c2ccccc2)nc1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 32893172 TWDQEEOPHIHWFJ-UHFFFAOYSA-N 431.470 2.356 0 40 IEAB COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCN(C(=O)C3CC3)CC2)cc1 35286656 FBBQHZJXMKHZFT-UHFFFAOYSA-N 436.512 2.440 0 40 IEAB COc1ccc(C[C@@H](CO)CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cc1O 79076291 MPHYKLXRQBJJSP-XXBNENTESA-N 428.529 2.052 0 40 IEAB COc1cc(/C=C/C(=O)N2CCCSC[C@@H]2CN2CCOCC2)cc(OC)c1OC 90609071 KNWKLEACNLUAOQ-QWNKOJSDSA-N 436.574 2.392 0 40 IEAB Cc1ccc(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C 113934609 DSFHZWBHAPRBKS-UHFFFAOYSA-N 430.574 2.460 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCN(Cc2ccccc2)CC1 223217399 IRAJZAPBARJHQJ-UHFFFAOYSA-N 445.585 2.223 0 40 IEAB Cc1cc(C)n(-c2ccc(CCC(=O)N3CCN([C@H](C)C(=O)NC(C)C)CC3)cc2)n1 225605586 FOLRYZKZBPXURT-HXUWFJFHSA-N 425.577 2.479 0 40 IEAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccccc1Cn1cccn1 257219452 DGVJCTTXVMVKQJ-QHCPKHFHSA-N 431.540 2.047 0 40 IEAB CCc1nnsc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257244634 IMECNQKMODEDCA-TXTKFYIRSA-N 444.601 2.404 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2CN(C(=O)c3n[nH]c4ccc(C)cc34)CCN2C)cc1C 257322977 WIHCNWYOUDWEEH-NRFANRHFSA-N 449.555 2.303 0 40 IEAB Cn1c(=O)nc(O)c2cc(C(=O)N[C@@H]3CCC[C@H]4CN(Cc5ccccc5)C[C@@H]43)cnc21 680269026 JNYOLWKUTUHVTG-FFZOFVMBSA-N 433.512 2.065 0 40 IEAB O=c1cccc2n1C[C@H]1C[C@@H](C2)N(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1 790016 RWERFBZTMRQMDB-QUCCMNQESA-N 435.576 2.465 0 40 IEAB CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)n2C 2493677 NCKQCRBEIWKJHH-QZQOTICOSA-N 447.538 2.408 0 40 IEAB COC(=O)c1cc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc(C(=O)OC)c1 2664289 MOISMWLDXNPZIG-UHFFFAOYSA-N 441.436 2.309 0 40 IEAB CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 3365602 RKXJIRMBVWVCOO-UHFFFAOYSA-N 437.827 2.410 0 40 IEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3378401 OJHIJTRUOXQELW-UHFFFAOYSA-N 449.444 2.443 0 40 IEAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)nc2n1 3467496 FARNZWAPBICULX-JTQLQIEISA-N 438.435 2.394 0 40 IEAB COCCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2cc(Cl)ccc2c1=O 3493916 RVBDNIIMZGZPOH-UHFFFAOYSA-N 426.926 2.413 0 40 IEAB CC(C)(C)NC(=O)CN1CCCN(C(=O)COc2ccc(Br)cc2)CC1 7951625 LODMHFWWISEWLC-UHFFFAOYSA-N 426.355 2.277 0 40 IEAB COc1cc2c(c3oc(=O)c(CCC(=O)N4CCNC(=O)C4)c(C)c13)CCC(C)(C)O2 8765240 ICXQPRLJZFZYTJ-UHFFFAOYSA-N 428.485 2.105 0 40 IEAB biogenic CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 8776199 DPZMJDOKVMVJCV-JOCHJYFZSA-N 434.456 2.231 0 40 IEAB O=S1(=O)CC[C@@H](N(Cc2ccco2)S(=O)(=O)c2ccc(Br)s2)C1 9336529 FKWFITJYTBDISD-SNVBAGLBSA-N 440.362 2.482 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnnn3Cc3cccs3)ccc21 9641897 UKXSFRFFXDAENH-UHFFFAOYSA-N 449.583 2.470 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ncccc32)cc1 9660562 CGWVYVSCRDMKMV-UHFFFAOYSA-N 444.447 2.032 0 40 IEAB CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 10274104 JVFOPOLLSRUOBC-AWEZNQCLSA-N 435.912 2.119 0 40 IEAB COc1cc(C(=O)NCc2ccccc2Cn2cccn2)cc(Cl)c1OCC(N)=O 10572744 JOXWLMLAEBXYJO-UHFFFAOYSA-N 428.876 2.388 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(NS(C)(=O)=O)cc1 11593978 DOHPNCQNDLIOIF-UHFFFAOYSA-N 440.319 2.498 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 12786647 WXRNYOMMMTVXME-UHFFFAOYSA-N 433.486 2.113 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 12997906 WCVQPFRZIFBXNE-OAQYLSRUSA-N 429.542 2.021 0 40 IEAB CCN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13099067 DPSHRVLMLFBSSZ-UHFFFAOYSA-N 428.876 2.444 0 40 IEAB CC[C@@]1(C)NC(=O)N(NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)C1=O 13116973 AVEJKEFDULWWFP-OAQYLSRUSA-N 439.497 2.185 0 40 IEAB Cc1cccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)c1 13501941 UCBDFZOSHBQTID-QGZVFWFLSA-N 430.530 2.499 0 40 IEAB NC(=O)c1c(NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)sc2c1CCC2 16045025 PBKOUEKXIGVYHD-UHFFFAOYSA-N 440.481 2.000 0 40 IEAB COc1ccc(-c2noc(Cn3cnc4c(nnn4-c4ccccc4)c3=O)n2)cc1OC 16843149 FNIXNLDXASILMH-UHFFFAOYSA-N 431.412 2.093 0 40 IEAB COc1cc2c(cc1OC)[C@H]1C(=O)c3cc(OS(C)(=O)=O)c(OC)cc3[C@@H]1N(C)C2=O 17142548 GPIZRQJCJKRCLG-MOPGFXCFSA-N 447.465 2.158 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(Cc3ccccn3)C1)C2=O 19699662 WXFKNIDZGDFLTD-OAQYLSRUSA-N 447.539 2.273 0 40 IEAB CNc1nc([C@@H]2CCCCN2C(=O)CN2CCC(C)CC2)nc2c1CN(C(C)=O)CC2 19710256 FVVAHUQYSUWFAQ-FQEVSTJZSA-N 428.581 2.208 0 40 IEAB O=C(NC[C@H]1CCCO1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 22527499 CKKIQPLUVMUNEU-QGZVFWFLSA-N 445.379 2.286 0 40 IEAB CC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)c2cccc(Br)c2)CC1 22759804 HTRRFXSAFWBWKX-UHFFFAOYSA-N 432.384 2.060 0 40 IEAB CN(C)S(=O)(=O)N1CCN(C(=O)CSC(c2ccccc2)c2ccccc2)CC1 25738145 ZKJQQEAJAQYMQC-UHFFFAOYSA-N 433.599 2.460 0 40 IEAB CN(CC(=O)OCC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 32636433 BVDZEHMYDWBKEZ-UHFFFAOYSA-N 432.832 2.421 0 40 IEAB CN(CC(=O)Nc1ccc(Cl)cc1)CN1C(=O)C(=O)N(CCc2cccs2)C1=O 32781609 WNRHCROKUSZEEV-UHFFFAOYSA-N 434.905 2.263 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3)nccn2c1=O 35528144 PZNUDOSIWMEVEX-UHFFFAOYSA-N 433.424 2.499 0 40 IEAB CC(C)n1ncc2cc(NC(=O)N3CCN(S(=O)(=O)N4CCCCCC4)CC3)cnc21 40120841 YGCCHXUFEMZEAD-UHFFFAOYSA-N 449.581 2.283 0 40 IEAB Cc1cccc(N2CCN(C(=O)c3snc4c(=O)n(CC(C)C)c(=O)[nH]c34)CC2)c1 49409893 PIJQYWMPFAXMOY-UHFFFAOYSA-N 427.530 2.073 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3noc(-c4ccco4)n3)C2)s1 58312493 DQTAZTRIJPPAFQ-CYBMUJFWSA-N 436.515 2.417 0 40 IEAB COC(=O)c1ccccc1NC(=O)C[C@H](CN1CCN(c2ccccc2)CC1)C(=O)O 61721735 ISRDSVPZWQQUEN-QGZVFWFLSA-N 425.485 2.325 0 40 IEAB COCCN1C[C@H](C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3C)c2)CC1=O 72351917 BXQFFHZDKQVXQX-FYYLOGMGSA-N 449.551 2.026 0 40 IEAB Cc1ccc(C(=O)N2CCc3[nH]c([C@@H]4CCCN4Cc4cnn(C)c4)nc(=O)c3C2)s1 72398797 RGGVYBODWXMIRW-SFHVURJKSA-N 438.557 2.409 0 40 IEAB Cc1cccc(-c2nnc(S)n2CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c1 78729333 MGUOZYAHSMHBGG-UHFFFAOYSA-N 437.525 2.232 0 40 IEAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1cccc(N2CCCCS2(=O)=O)c1 95482676 SNBGVEKPNAQGAS-SFHVURJKSA-N 442.497 2.345 0 40 IEAB COc1ccc(CN2C[C@H]3CN(Cc4ccc(S(C)(=O)=O)cc4)CCN3C2=O)cc1 96269134 CPJHUALUELFRQS-LJQANCHMSA-N 429.542 2.221 0 40 IEAB biogenic,in-vitro O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21)Nc1ccc2c(c1)OCCO2 101165903 JWZPNJPRPBHIEP-ZWKOTPCHSA-N 441.831 2.043 0 40 IEAB CCOc1ccccc1N(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 224987353 BMWYHWNJHOWSEG-UHFFFAOYSA-N 433.530 2.327 0 40 IEAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 225264166 NBIHHZRGERXPGU-FQEVSTJZSA-N 444.553 2.493 0 40 IEAB Cc1cc(C)n(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)n1 257292465 QLOURGZQWAIZFZ-UNMCSNQZSA-N 440.544 2.045 0 40 IEAB Cc1cc(N2CC[C@](O)(CNCc3ccc(OCCn4nc(C)cc4C)cc3)C2)ncn1 257320874 VYZIKDKHXDQQOY-DEOSSOPVSA-N 436.560 2.408 0 40 IEAB C[C@@]1(c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c2)NC(=O)NC1=O 642597343 XPMDCTHRLKAQHU-WNSKOXEYSA-N 438.459 2.371 0 40 IEAB CCc1cnc(Nc2cccc([C@H]3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)s1 643550877 RDFRYYMDYQSOCH-OAHLLOKOSA-N 434.547 2.340 0 40 IEAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCOCC2)cc1 780998 HYVQPIBLBIHKOI-UHFFFAOYSA-N 426.502 2.238 0 40 IEAB Cc1ccccc1NC(=O)c1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1C 1971093 HUOOMFASOIOYMT-UHFFFAOYSA-N 426.498 2.186 0 40 IEAB NC(=O)COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2399878 RGFIBOJJHMMWEH-IERDGZPVSA-N 434.448 2.381 0 40 IEAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc(N2CCOCC2)cc1 3323376 FXMMGGHZAFHCIW-OAQYLSRUSA-N 447.495 2.106 0 40 IEAB COCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(F)cc4F)ccc3NC(=O)[C@@H]2C1 8300054 QOUPXGRMHOCTIY-LIRRHRJNSA-N 429.423 2.320 0 40 IEAB biogenic,in-vitro CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1 9218610 BLKFJQUMSLJQBC-UHFFFAOYSA-N 445.541 2.375 0 40 IEAB O=C(CSc1nnnn1C1CCCCC1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 9477766 YTQZDAFTXOQMRP-KRWDZBQOSA-N 435.575 2.491 0 40 IEAB COc1ccccc1N1CCN(C(=O)CSc2nnnn2Cc2cccs2)CC1 9643799 VPMCAFIJINNHNP-UHFFFAOYSA-N 430.559 2.232 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cccc(Cl)c3)C2=O)cc1OC 9675550 PDHHBNXFPFCOHX-MSOLQXFVSA-N 443.847 2.289 0 40 IEAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9730277 GBCUMLAFXHFPFH-UHFFFAOYSA-N 429.498 2.087 0 40 IEAB COc1ccc2c(COC(=O)CCNS(=O)(=O)c3ccccc3F)cc(=O)oc2c1 9781525 YWBUOYXAKFBECP-UHFFFAOYSA-N 435.429 2.353 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(c2ncnc3sccc23)CC1 9821261 SXOJAWDFBRMKGG-UHFFFAOYSA-N 432.527 2.364 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 12881959 RFUPAELEDGOCAH-HHHXYUNESA-N 447.557 2.155 0 40 IEAB biogenic CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NCc1ccco1 14013736 XFHJZIYXDURHLF-UHFFFAOYSA-N 447.513 2.469 0 40 IEAB Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)n2)cc1S(=O)(=O)N1CCOCC1 14134857 QYLNSSDAUZMZFM-UHFFFAOYSA-N 431.301 2.365 0 40 IEAB COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1OC 14271678 JKTOQSMUUNPRKJ-UHFFFAOYSA-N 442.541 2.499 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N=C(N2CCN(c3ccccc3F)CC2)N1 14607033 JZPAIEHIZRTISC-SFHVURJKSA-N 439.491 2.148 0 40 IEAB COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 17154705 HSEDDHPUSMTJLR-UHFFFAOYSA-N 432.542 2.008 0 40 IEAB Cc1cc(=O)c(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)nn1-c1ccc(Cl)cc1 18230276 LVFRPWNNKHBLEU-UHFFFAOYSA-N 429.864 2.094 0 40 IEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 18948173 YDSJLYPYRCQVCT-GJZGRUSLSA-N 439.468 2.019 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)C3[C@H]4CCCC[C@@H]34)[nH]c2=O)C1 19404939 UGDAXLDIUINBEU-YDGDNJSCSA-N 447.539 2.463 0 40 IEAB CCS(=O)(=O)N1CCC[C@@H]1c1nc(O)c2c(n1)CCN(Cc1ccc(OC)cc1)C2 19520325 XMHLNJDISGDNPT-LJQANCHMSA-N 432.546 2.236 0 40 IEAB COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2cnn(C)c2)nc1C 19755253 ZATWXIJIMDHOPH-IBGZPJMESA-N 434.500 2.434 0 40 IEAB CCN1CCN(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)CC1 22358770 HZRDBYRDDQACIC-INIZCTEOSA-N 429.517 2.038 0 40 IEAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 24752213 DPADUKJWJBQMJP-UHFFFAOYSA-N 429.498 2.308 0 40 IEAB C[C@@]1(CSc2ccccc2C(=O)N2CCN(Cc3ccsc3)CC2)NC(=O)NC1=O 25050261 IIGLPTAKPWXVOR-NRFANRHFSA-N 444.582 2.396 0 40 IEAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C(=O)N1CCOCC1 26118035 IDRHSVOWCKAQSL-UHFFFAOYSA-N 436.511 2.380 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N(C)Cc2ccc(OC)c(OC)c2)Oc2ccccc21 30753370 ZEYCGQAAZCQGJC-HXUWFJFHSA-N 434.514 2.280 0 40 IEAB Cc1cc(C)cc(NC(=O)Cn2nc3ccc(S(=O)(=O)C4CCCCC4)nn3c2=O)c1 33261732 YPIMBQWFJIFMAH-UHFFFAOYSA-N 443.529 2.253 0 40 IEAB Cc1noc(C)c1CN1CCN([C@H](C(=O)O)c2cn(C)c3ccc(C(=O)O)cc23)CC1 36358368 BYQAWRXWDPLTQU-FQEVSTJZSA-N 426.473 2.425 0 40 IEAB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cccc(-n2cnnn2)c1 38486338 FVDCBMCPDIUTGX-UHFFFAOYSA-N 428.456 2.208 0 40 IEAB O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1ccncc1)[C@H]1CC(=O)N(c2ccccc2)C1 41098188 CYRLAGCATAUKCP-GMAHTHKFSA-N 442.519 2.478 0 40 IEAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2-n2cnnn2)ccc1Br 59851461 METFXHQHWCEVEH-UHFFFAOYSA-N 438.263 2.012 0 40 IEAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 67287095 ZUAYBTHDGJZBRL-FQEVSTJZSA-N 445.516 2.141 0 40 IEAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)C[C@H]2SC(=O)N(C)C2=O)CC1 72348264 MOVXSRLDJZCIPE-MRXNPFEDSA-N 426.498 2.116 0 40 IEAB Cc1nc(C2CCN(CCN3CCCC3=O)CC2)nc2c1CCC(=O)N2Cc1ccccn1 72371161 AEKJUEPFQNUEQN-UHFFFAOYSA-N 448.571 2.461 0 40 IEAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC2(CC1)CNC(=O)c1ccccc1O2 72393300 ZOQJUXDEGVKJSF-UHFFFAOYSA-N 428.510 2.277 0 40 IEAB CN(CC(=O)NC1CCN(CC2(c3ccccc3)CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 72393422 UBWMVWFJTFLWOQ-QFIPXVFZSA-N 447.645 2.198 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nn(C)c(=O)n3-c3ccccc3)C2)cc1 77100624 WZLKFHDXUFGTIM-SFHVURJKSA-N 440.525 2.342 0 40 IEAB CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCCN(C)CC1 97617212 IJGKRDMGYRHZRT-INIZCTEOSA-N 428.396 2.465 0 40 IEAB NC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)C1 197760775 YVNJRGYTBRXZJQ-GFCCVEGCSA-N 432.274 2.305 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1OC 220240087 CVLRZWVKFTXOTA-INIZCTEOSA-N 435.546 2.111 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1cccc(C)c1)c1ccc2c(c1)OCCO2 224162279 FXPCRQUURKEOKQ-UHFFFAOYSA-N 434.514 2.118 0 40 IEAB Cc1cccc(N([C@@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 224744727 FLMDODCBVRUEJD-IBGZPJMESA-N 445.585 2.298 0 40 IEAB CC(C)n1cnc2cc(C(=O)N[C@H]3CCC[C@H](n4cnc5c(N)ncnc54)[C@H]3O)ccc21 257257334 KPCMMDPMBYZNOR-FNHZYXHNSA-N 434.504 2.224 0 40 IEAB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCCCn1ccnc1 408595714 STFQCMXTXJWLDG-UHFFFAOYSA-N 434.562 2.388 0 40 IEAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2C)cc1 409159995 OVEXQJHSDUWPKL-CRAIPNDOSA-N 445.589 2.470 0 40 IEAB CSc1cccc(NC(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1 575607998 RXCZNCJAWTUTGH-UHFFFAOYSA-N 429.550 2.352 0 40 IEAB COCCn1cnc2c(N3C[C@@H]4CN(c5cc(C(F)(F)F)nc(C)n5)C[C@H]4C3)ncnc21 1888913866 BGCBHYDIUXHYEL-KBPBESRZSA-N 448.453 2.163 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888918226 CWBYFIXQKSVPBB-RTBURBONSA-N 438.557 2.251 0 40 IEAB COc1ccc(CCNC(=O)Cn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc1OC 807139 VSUIEYBDIOTQKB-UHFFFAOYSA-N 447.495 2.267 0 40 IEAB Cc1c(CC(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 2125321 RNUZVMUCJFNHSR-UHFFFAOYSA-N 428.441 2.005 0 40 IEAB biogenic COc1cc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1NC(C)=O 4205023 FDSFCRYDMANLLW-SFHVURJKSA-N 431.470 2.109 0 40 IEAB CC(C)CCNC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)c(Cl)c1 6133984 BXFXFZGAQIANDI-UHFFFAOYSA-N 441.916 2.426 0 40 IEAB COc1ccc2c(CC(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)coc2c1 8825421 FFHKIDNJLSNWIR-QFIPXVFZSA-N 436.464 2.495 0 40 IEAB O=C1CN(C(=O)CSc2nnc(NCc3ccco3)s2)C2(CCCCC2)C(=O)N1 8940016 KWEXEOFIGRFJEM-UHFFFAOYSA-N 435.531 2.023 0 40 IEAB COc1ccc(C(=O)N[C@]2(C(F)(F)F)N=C(O)N(Cc3cccnc3)C2=O)cc1OC 9423029 DGBGVCJYXWULIL-SFHVURJKSA-N 438.362 2.044 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1N1CCOCC1 9581176 PPBPGTFHCYWNJD-UHFFFAOYSA-N 445.541 2.105 0 40 IEAB CCc1cc(CC)n(-c2nc3c(c(=O)n(Cc4ccccc4Cl)c(=O)n3C)n2C)n1 12232120 ZSHYITWPUQXRFF-UHFFFAOYSA-N 426.908 2.446 0 40 IEAB O=C(c1cn2ccccc2n1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 12627953 WNZRIEIPLZTFOO-UHFFFAOYSA-N 438.431 2.500 0 40 IEAB CNC(=O)NC(=O)[C@@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 12867302 MSZRVPLRZPXMSY-FQEVSTJZSA-N 444.557 2.148 0 40 IEAB CC/C(NNC(=S)Nc1ccccc1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 13593169 DEMDYBQBITVOCH-WUKNDPDISA-N 439.497 2.433 0 40 IEAB Cc1nc(-c2cccc(NC(=O)CCCn3cnc4c3c(=O)n(C)c(=O)n4C)c2)cs1 14083545 FKTGQUUOJMOGMP-UHFFFAOYSA-N 438.513 2.285 0 40 IEAB COc1cccc(CNC(=O)CSc2n[nH]c(=O)c3cc(-c4ccco4)nn23)c1OC 16844492 XXXTUPBQWNHSCR-UHFFFAOYSA-N 441.469 2.103 0 40 IEAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=O)n(-c3ccc(Cl)cc3)c1=O)NCC2 16996420 BKXXKCNWHLPJKW-SFHVURJKSA-N 429.860 2.137 0 40 IEAB biogenic C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CC(=O)Nc2ccccc21 17048619 UNJZWSOWYTULNZ-KGLIPLIRSA-N 425.416 2.096 0 40 IEAB C[C@H]1CN(CC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)C[C@@H](C)O1 19497456 PZTACEVPWWFBQB-IYBDPMFKSA-N 426.546 2.294 0 40 IEAB CCS(=O)(=O)c1ccccc1C(=O)N1[C@H]2CC[C@@H]1Cc1nc(N3CCOCC3)ncc12 19520492 MFUHNIQMBPEXLX-BEFAXECRSA-N 442.541 2.009 0 40 IEAB CC[C@H](C)NC(=O)CSc1nnc(CN(c2ccc(C)cc2)S(C)(=O)=O)n1C 19925956 FFHMKNHRKCAZMN-AWEZNQCLSA-N 425.580 2.097 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 20046397 CGHNSNXFFMMJNC-UHFFFAOYSA-N 431.558 2.050 0 40 IEAB CC[C@@H](NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22335799 MNDCKEZSQOVQPS-GOSISDBHSA-N 442.534 2.263 0 40 IEAB O=C(CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)NC(=O)Nc1ccccc1F 22790501 JISTTWXDGCIEFC-UHFFFAOYSA-N 447.898 2.384 0 40 IEAB CCOC(=O)c1sc(NC(=O)CSc2nccc(=O)[nH]2)c(C(=O)OCC)c1C 32522469 NZXGSMBMOMJAGR-UHFFFAOYSA-N 425.488 2.224 0 40 IEAB COc1ccc(/C=C2\SC(=O)N(CC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1 33589068 NUXGIOJNBMXEGJ-LSPINASFSA-N 426.494 2.451 0 40 IEAB CN1CCN(c2cc(OCCNC(=O)Nc3ccc(OC(F)(F)F)cc3)ncn2)CC1 35598389 LPDMWIGKPOLZBT-UHFFFAOYSA-N 440.426 2.328 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cccc(OC)c1OC 36589912 SBXSDULAFLHQOV-QAPCUYQASA-N 448.545 2.379 0 40 IEAB biogenic Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N1CCN(c3ccccc3F)CC1)O2 38851383 AYSDFCDBIICOPY-HXUWFJFHSA-N 433.505 2.010 0 40 IEAB O=C(CCNC(=O)[C@H]1CS[C@@H]2c3ccccc3C(=O)N12)Nc1ccc2c(c1)OCO2 43732621 MRPIOFJXHSQNOR-QVKFZJNVSA-N 425.466 2.130 0 40 IEAB CCC[C@H](c1nnnn1CCOC)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 57674959 CKSANASIVDEPPX-HXUWFJFHSA-N 428.537 2.195 0 40 IEAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H](c2ccccc2)O1 58413290 XTUCALHAKBTFKZ-UTKZUKDTSA-N 430.526 2.310 0 40 IEAB O=C(CNS(=O)(=O)c1cccs1)N1CCO[C@H](c2ccc(Br)cc2)C1 72036424 VDPBUKPZKBXBKP-AWEZNQCLSA-N 445.360 2.389 0 40 IEAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCN([C@@H]2CCOC2=O)CC1 95435106 FSTKRXOZTNMXOP-FCHUYYIVSA-N 435.524 2.444 0 40 IEAB Cc1ccccc1CC(=O)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 97943478 KPMQZGSGGCBSCB-QFIPXVFZSA-N 445.523 2.385 0 40 IEAB COc1ccc(N(CCCC(=O)NCCOc2cccc(OC)c2)S(C)(=O)=O)cc1 224695131 WXGRWHJUBXXHOH-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB COC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224899656 RHYXHHBWPQAMRQ-UHFFFAOYSA-N 434.470 2.108 0 40 IEAB CC(=O)c1ccc(CCNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)s1 225674212 NBQZQTJADTWUAP-UHFFFAOYSA-N 442.584 2.402 0 40 IEAB CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(S(C)(=O)=O)cc1 225682543 JUWALWKFRDRPQN-HNNXBMFYSA-N 440.568 2.433 0 40 IEAB CS(=O)(=O)N1CCC(Cc2cnc(N3C(=O)OC[C@@H]3Cc3ccccc3)cn2)CC1 257310670 UGBMOFCGQTYQLC-IBGZPJMESA-N 430.530 2.259 0 40 IEAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CCN(S(=O)(=O)c1ccc(F)c(C)c1)C2 257344853 ZYWVDEDZLPRPCT-OAHLLOKOSA-N 447.536 2.049 0 40 IEAB CN([C@H](C(=O)NCc1ccccc1CN1CCCC1=O)c1ccccc1)S(C)(=O)=O 260764776 MIWLUCJAGCEQMN-NRFANRHFSA-N 429.542 2.058 0 40 IEAB Cc1nc2c(n1C(C)C)CN(C(=O)c1ccnn1C)CC21CCN(c2ncccn2)CC1 306137004 QITJSWLVWMUVDO-UHFFFAOYSA-N 434.548 2.490 0 40 IEAB Cc1ccc(C2=S=C(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)N=N2)cc1 408717947 APQDERUMJAQCTA-UHFFFAOYSA-N 431.543 2.432 0 40 IEAB CO[C@H]1CN(C(=O)COc2ccccc2)CCCCc2ccccc2OC[C@@H](O)[C@H]1O 2037971359 VHSDYSCCEAOPIE-JCTONOIOSA-N 429.513 2.046 0 40 IEAB COc1ccc(/C=C/C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 2657324 PNOCVMXINMSEEE-WEVVVXLNSA-N 434.489 2.185 0 40 IEAB COc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N3CCc4ccccc43)s2)cc1 8588033 WEHFKPBCTVOKQU-UHFFFAOYSA-N 446.510 2.316 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)cc1 8650622 CIUCVJZSFRTYJX-QGZVFWFLSA-N 430.526 2.132 0 40 IEAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(Br)cc1 10519015 CKKVZYKFQZRXEM-JTQLQIEISA-N 431.333 2.236 0 40 IEAB COc1ccc(S(=O)(=O)CC(=O)N2CCC(c3nn(C)c4ncccc34)CC2)cc1 12670479 MYWXGCPTOWZBMX-UHFFFAOYSA-N 428.514 2.157 0 40 IEAB CCOCCCNc1nnc(SCC2=C(C(=O)OCC)[C@H](CC)NC(=O)N2)s1 13010689 QGJAIJZKIXLQLH-NSHDSACASA-N 429.568 2.377 0 40 IEAB CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc(Cl)cc1 13120395 XXHTZOMEXOFEAE-MRXNPFEDSA-N 436.873 2.451 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2)NC(N)=O)ccc1C 13133890 VBLMECCQOKZYQW-GOSISDBHSA-N 432.546 2.244 0 40 IEAB Cc1ccc(CC(=O)N2CCC(c3cc(C(=O)N4CCC[C@@H](C(N)=O)C4)on3)CC2)cc1 19209339 SIAVNCDCSRZMJS-LJQANCHMSA-N 438.528 2.269 0 40 IEAB O=C(C[C@H]1CCS(=O)(=O)C1)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19344024 KYOADCFPDUAXMH-CQSZACIVSA-N 431.543 2.010 0 40 IEAB O=C(c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3)N1CCC[C@@H](CO)C1 19372401 HLHQMKPHZUGKCZ-HXUWFJFHSA-N 446.551 2.299 0 40 IEAB Cc1nccn1C[C@H]1CCCN(C(=O)c2cccn(CC(=O)NCc3ccccc3)c2=O)C1 19750046 YKCONPNCYUYQMG-OAQYLSRUSA-N 447.539 2.222 0 40 IEAB CN1[C@@H](CCC(=O)N2CCc3ccccc32)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccccc1 22922726 PWEMAMTYRCBRTQ-PWWKTKHKSA-N 432.568 2.429 0 40 IEAB biogenic,in-vitro O=C(Cn1nc2c(c1NC(=O)COc1ccccc1F)CSC2)NC[C@@H]1CCCO1 23139110 AIJYHQILBOMQIC-ZDUSSCGKSA-N 434.493 2.082 0 40 IEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1ccsc1C(=O)OC 24770284 XUOATWOQFHLGHD-UHFFFAOYSA-N 433.486 2.205 0 40 IEAB O=C(Cc1cnn(-c2ccccc2)c1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 25643981 QFNBPXKYDRVNRG-UHFFFAOYSA-N 441.509 2.179 0 40 IEAB CCn1c(CN(CCC(N)=O)Cc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 27547777 GUWNVXUJALUMQU-UHFFFAOYSA-N 443.573 2.184 0 40 IEAB O=C(COc1ccccc1)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2 27663076 XBNHDHRLGZTIPX-ZDUSSCGKSA-N 434.539 2.171 0 40 IEAB O=C(CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCc1ccccc1 32583318 WKNSZIBRYPORFD-UHFFFAOYSA-N 449.960 2.173 0 40 IEAB COCCN(Cc1nc(N)nc(Nc2ccccc2C)n1)Cc1nc2ccccc2c(=O)[nH]1 32664978 WVQDKFYETQXNDV-UHFFFAOYSA-N 446.515 2.391 0 40 IEAB Cc1cc(=O)c(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)nn1-c1ccccc1F 32781579 NCWSNRUXOILPIT-FQEVSTJZSA-N 436.487 2.483 0 40 IEAB CN(CC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1 32788371 LAISJMZBCGDMFU-UHFFFAOYSA-N 435.571 2.311 0 40 IEAB COc1cc(C(=O)NCCCN(C)S(C)(=O)=O)cc(OC)c1OCc1ccccc1 32915117 ZYKZYLOHXJSKPX-UHFFFAOYSA-N 436.530 2.294 0 40 IEAB COc1ccc(CCNC(=O)CN2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1OC 35598319 SUKYPAVJXLBIJC-UHFFFAOYSA-N 437.544 2.057 0 40 IEAB COc1ccc([C@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC 38757189 ZUGDRUSEWJINTA-ZDUSSCGKSA-N 436.486 2.076 0 40 IEAB CC(C)(C)OC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc2nncn2c1 49408424 ANKQRUQKUPTSDC-UHFFFAOYSA-N 446.485 2.038 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21)NC1CCCCC1 57486455 RCOULOOOEJNZOF-UHFFFAOYSA-N 441.509 2.451 0 40 IEAB CC(C)NC(=O)CCNC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 58725185 WNRGRYNZEVWZIA-UHFFFAOYSA-N 435.571 2.140 0 40 IEAB Cc1cccc(Nc2ccc([C@@H]3CCCN(CC(=O)N4CCC(C(N)=O)CC4)C3)nc2)n1 72353320 SPMBGQFNZCMHOA-LJQANCHMSA-N 436.560 2.432 0 40 IEAB CCN1C[C@H](c2cc(NCCO)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O 72353517 YVVANEWPSFNLEO-CYBMUJFWSA-N 442.907 2.375 0 40 IEAB O=C(c1sc2ccccc2c1[C@H]1CCN(S(=O)(=O)c2cn[nH]c2)C1)N1CCOCC1 72356243 WISMVBJGLQXZCK-AWEZNQCLSA-N 446.554 2.275 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)NCCn3c(C)nc4ccc(F)cc4c3=O)CC2=O)cc1 79478694 GLEMFIHCOZCMIS-HNNXBMFYSA-N 438.459 2.022 0 40 IEAB COc1ccc(CCN2C[C@H]3CCN(C(=O)c4ccncc4)CC[C@H]3S2(=O)=O)cc1 96145509 RJXLZGONYOXKAQ-TZIWHRDSSA-N 429.542 2.199 0 40 IEAB CN(C)C(=O)CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2CC1 96145867 UOKRIOIVBGMKRA-PMACEKPBSA-N 443.569 2.191 0 40 IEAB Cc1noc(C)c1CN1CCC2(CC1)O[C@H](C(=O)NCc1cccnc1)Cn1ccnc12 96243826 SORYDVWYIIUWAC-FQEVSTJZSA-N 436.516 2.089 0 40 IEAB COc1ccccc1N(C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1=NCCCS1 102228091 WUTCKOUHBVYMGF-YXUGBTPSSA-N 425.510 2.328 0 40 IEAB COc1ccc(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)cc1OC 216296072 VADRXVDAGKRNMV-UHFFFAOYSA-N 447.513 2.235 0 40 IEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1nc(-c2ccccc2Cl)no1 219672475 YNMBVSIJUGRNPH-UHFFFAOYSA-N 446.872 2.241 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223027820 AWMGWRSIWSBFKK-HXUWFJFHSA-N 431.558 2.314 0 40 IEAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1C 223823502 OBBAJQRLNGJENW-HNNXBMFYSA-N 432.498 2.491 0 40 IEAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 224063789 HASWYLAQLYJZCE-IBGZPJMESA-N 445.585 2.357 0 40 IEAB CC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)s1 225484612 TUXBFTTWYFZMQJ-UHFFFAOYSA-N 428.883 2.021 0 40 IEAB C[C@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NCCN3CCOCC3)n2)C1 225905533 KDFUQPDIKDIZCQ-ZDUSSCGKSA-N 432.516 2.350 0 40 IEAB CCOC(=O)Cc1ccc(NC(=O)C[C@H](NS(C)(=O)=O)c2ccc(OC)cc2)cc1 225953658 VJOLTHYIPHERPC-IBGZPJMESA-N 434.514 2.420 0 40 IEAB COC1CCN([C@H]2[C@H](NC(=O)c3ccc(C)nc3)C[C@@H](Oc3ccccc3)[C@@H]2O)CC1 257221978 DRJIGGXNCPEPOC-LUKWVAJMSA-N 425.529 2.180 0 40 IEAB COCCN(CCOC)S(=O)(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 642193637 VVXIBJBNKPESJX-QWRGUYRKSA-N 430.411 2.325 0 40 IEAB O=C(NCc1ccc(Br)cc1N1CCOCC1)[C@H]1CC(c2ccccn2)=NO1 1566323975 NCHRUFHNVVARQP-LJQANCHMSA-N 445.317 2.490 0 40 IEAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NC2CCCC2)cc1 1325810 BXTAOAJHKGMYIR-UHFFFAOYSA-N 438.527 2.115 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)O)cc2)cc1 3991764 KQWJDELWBIHFNL-HCXYKTFWSA-N 428.466 2.389 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc2n1CCO 8709739 VETVGQGQCPCBNS-UHFFFAOYSA-N 436.299 2.114 0 40 IEAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)NC(N2CCN(c3ccccc3F)CC2)=N1 8777041 SOSKNCRBCKWNKN-QGZVFWFLSA-N 429.883 2.484 0 40 IEAB COc1ccc(OC)c2c1cc(C(=O)N[C@H](C(=O)N1CCC(C(=O)O)CC1)C(C)C)n2C 8790105 BTUQUYAQXMBWNV-IBGZPJMESA-N 445.516 2.273 0 40 IEAB biogenic CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 8880032 OFCXDEVBVUKANP-ZHRRBRCNSA-N 440.496 2.347 0 40 IEAB COc1ccc(C(=O)NCc2nc3ccccc3n2C)cc1S(=O)(=O)N1CCCC1 9219711 SVIPEVPZGBBYKO-UHFFFAOYSA-N 428.514 2.296 0 40 IEAB Cc1cc(C)nc(SC[C@@H](C)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 10249055 ABQSQDSTVOECIC-ZDUSSCGKSA-N 443.577 2.249 0 40 IEAB O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)NCc1ccco1 10587590 GXMGDUAWMUEHBT-HXUWFJFHSA-N 449.463 2.190 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCCC2)cc1 12197322 CBVVFDUDBNGOCH-IBGZPJMESA-N 445.541 2.233 0 40 IEAB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 12700866 HWEUCZNYQNZZBK-HZPDHXFCSA-N 442.468 2.385 0 40 IEAB COc1cc(/C=C/C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O 13008604 QURUKOXUGPKFSH-ZRDIBKRKSA-N 437.452 2.394 0 40 IEAB COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 13017667 OIFZGPMJMAJUHZ-QHCPKHFHSA-N 439.468 2.348 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCCOc1ccccc1)n2C 13041027 CWZCBDUDWNVFGB-UHFFFAOYSA-N 431.514 2.378 0 40 IEAB CN1C(=O)N(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C(=O)C12CCCCC2 14198314 ZQEGFBAKDICPSM-UHFFFAOYSA-N 433.530 2.178 0 40 IEAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)cc1C 19213478 UIDKITIOMIMLOP-UHFFFAOYSA-N 439.541 2.246 0 40 IEAB Cc1nn2c([C@H]3CN(C(=O)CCc4ccccc4)CCO3)ccnc2c1CN1CCOCC1 19707722 LKRDMXFTYCPQQZ-HSZRJFAPSA-N 449.555 2.403 0 40 IEAB CC(C)NC(=O)c1cc([C@@H]2CN(CC(=O)NCc3ccccn3)CCO2)nc2ccccc12 19759430 XHGPWFBCSRZIJH-QHCPKHFHSA-N 447.539 2.458 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccccc2C)cc1 19943160 YIUVAMSFRDAWKH-UHFFFAOYSA-N 445.585 2.337 0 40 IEAB CC(=O)NCCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)s1 24535161 LUJBAFUATLBIFZ-FQEVSTJZSA-N 435.452 2.355 0 40 IEAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3OC)n(N)c2=O)cc1 27546251 SUGSGMARLFUBNQ-UHFFFAOYSA-N 441.513 2.081 0 40 IEAB CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)cc1 35897746 SDEYBRLBUGGYPZ-JYRKZWEQSA-N 446.569 2.385 0 40 IEAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 36380060 JUTMAHDOZVJYHO-JOCHJYFZSA-N 448.567 2.435 0 40 IEAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 40069319 YLOZQPRVTCSLLS-MRXNPFEDSA-N 429.970 2.372 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)ccn1 40108362 DPOFVMYNVPBWHE-HXUWFJFHSA-N 439.541 2.435 0 40 IEAB COC(=O)c1cnc(NCCc2c[nH]c3ccccc23)c(S(=O)(=O)N2CCOCC2)c1 40119629 ROIOXHDCOFLTFI-UHFFFAOYSA-N 444.513 2.025 0 40 IEAB CCOC(=O)c1c(S(=O)(=O)Nc2ccccc2I)n[nH]c1C 40150890 ZHUNXOASNTYIJG-UHFFFAOYSA-N 435.243 2.300 0 40 IEAB CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2csc(Br)c2)CC1 40157082 YVLOPWLAGOJCLN-UHFFFAOYSA-N 432.340 2.320 0 40 IEAB C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1nnc([C@@H]2CCCO2)s1 49549751 QDISZCKEQDKVDG-BBRMVZONSA-N 448.524 2.388 0 40 IEAB COc1ccc2c(c1)CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C[C@]1(CCCN(C)CC1)O2 72394495 SBAUAEZAAWZJLS-HTAPYJJXSA-N 436.574 2.096 0 40 IEAB CCOc1cc(C(=O)N(CC(=O)O)C2CCOCC2)ccc1OCC(=O)N1CCCCC1 95970155 IKDFAASKGQHMOA-UHFFFAOYSA-N 448.516 2.182 0 40 IEAB CSCC[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nnc2ccccn12 96118102 UCNFAIRCCLKVRQ-KRWDZBQOSA-N 437.529 2.225 0 40 IEAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)N4CCOCC4)CC3)c3ccccc32)CC1 96242272 WEOSTBCYXDCUHR-FQEVSTJZSA-N 440.588 2.124 0 40 IEAB CC(C)CS(=O)(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ccccn3)C[C@@H]2C1 96251451 WKHQVBLXFGRZOF-KNQAVFIVSA-N 434.606 2.112 0 40 IEAB CCOC(=O)c1ccsc1NC(=O)CN1CCN(CC(=O)Nc2cccc(F)c2)CC1 96930958 QRQDHMKUACTDOY-UHFFFAOYSA-N 448.520 2.259 0 40 IEAB COc1cc(N2CCOCC2)nc(NC(=S)NCC2(c3ccccc3)CCOCC2)n1 225991971 OEMUEIVIDCUFCJ-UHFFFAOYSA-N 443.573 2.357 0 40 IEAB COc1ccccc1C(=O)N1CCN2[C@@H](C1)CN(S(=O)(=O)c1ccccc1)CC2(C)C 253399620 JSHNXKFGIQWNLU-SFHVURJKSA-N 443.569 2.305 0 40 IEAB biogenic,in-vitro Cn1cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)cn1 257231915 GIRHJFKACWEEAE-JXFKEZNVSA-N 446.935 2.232 0 40 IEAB Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)c4cccnc4)C3)nc2n(Cc2ccccc2)c1=O 257304575 SMHJEZJPTRMZBY-LJQANCHMSA-N 441.491 2.168 0 40 IEAB C[C@]1(c2ccc(-c3noc([C@H]4CCN(c5ccc(F)cc5)C4=O)n3)cc2)NC(=O)NC1=O 544913595 IFAGPLZUFHMSEL-OPAMFIHVSA-N 435.415 2.451 0 40 IEAB COc1ccccc1CNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3620561 CWZGVKJFWWEGDE-UHFFFAOYSA-N 446.525 2.343 0 40 IEAB Cc1cccc(OCCNC(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c1 8720571 ZTHLZWNHRMVJDG-UHFFFAOYSA-N 435.571 2.462 0 40 IEAB Cc1ccc(C(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)s1 8849135 ABDFRFNRHDSUKD-UHFFFAOYSA-N 427.475 2.256 0 40 IEAB CCn1c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1 9120132 CKUPSJSSWPDNPI-UHFFFAOYSA-N 445.570 2.063 0 40 IEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)N[C@H]1CCCc2ccccc21 9452541 LPXQJURPLCWKKR-VPWXQRGCSA-N 449.507 2.467 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc(N)cc(N)n2)c1 9507242 UAKXRYYDTSJQQM-UHFFFAOYSA-N 444.970 2.056 0 40 IEAB O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9916161 FXKZSWSJJYBQKH-UHFFFAOYSA-N 432.452 2.297 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 10324482 XOFVVRIICIFKCD-MRXNPFEDSA-N 429.542 2.368 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2Br)CC1 10665366 MOKYWZYZPGHQNG-UHFFFAOYSA-N 446.298 2.340 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN=C1SCc1ccccc1 11757661 DWTCMFZTNFSGPL-UHFFFAOYSA-N 445.566 2.453 0 40 IEAB COc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(N3CCN(C)CC3)nc2)C(C)C)cc1 12756980 RJAGQLZYYSXNBP-OAQYLSRUSA-N 425.533 2.235 0 40 IEAB COc1ccc([C@@H]2C/C(=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)NN2)cc1OC 13572032 OVXRCFVBLWCTJF-JZYMCLRRSA-N 442.859 2.433 0 40 IEAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N[C@H](C)c1ccccc1 13732441 OGUDAVLUSBTFQS-CQSZACIVSA-N 438.527 2.191 0 40 IEAB O=C(COC(=O)Cn1nnc2ccccc2c1=O)Nc1ncc(C(F)(F)F)cc1Cl 16258391 RMKAKYAJQQINRE-UHFFFAOYSA-N 441.753 2.041 0 40 IEAB COc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 16973051 WHCSFEFRYTXMRX-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB CCC(CC)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)C2CCOCC2)CC3)CC1 19500120 LNWJBHIVYNYXLV-UHFFFAOYSA-N 444.576 2.223 0 40 IEAB CCCN1CCN(C(=O)c2n[nH]c(=O)[nH]2)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19502989 XVVMDWOHPMKANT-FQEVSTJZSA-N 433.512 2.318 0 40 IEAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CC3CCCC3)CC1)C2=O 19699374 FCTKTKCOYPQUNK-UHFFFAOYSA-N 432.565 2.127 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC)c(OC)c2)cc1C 20015173 ZJTNZGHHSUPRRL-UHFFFAOYSA-N 436.530 2.348 0 40 IEAB O=C(Nc1nc(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1)C1CC1 20830541 ALVHJYRBDNRAOL-UHFFFAOYSA-N 428.514 2.107 0 40 IEAB CCCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1nnc(-c2cccs2)o1 21472629 UCLRSORQRZLNEY-UHFFFAOYSA-N 435.531 2.296 0 40 IEAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccc(OCc2ccccc2)cc1 22793765 WCBWGOFWKMOXLM-OAQYLSRUSA-N 443.569 2.009 0 40 IEAB CC(C)CN(CC(C)C)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 25387262 XYSOZVMKCILYQA-KRWDZBQOSA-N 432.517 2.495 0 40 IEAB O=C(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 27394632 ZPRPCZHKVQXNON-HXUWFJFHSA-N 447.532 2.245 0 40 IEAB CCOc1cc(Br)c(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1OCC 39980514 GSMKDQLTYBWTDI-QGZVFWFLSA-N 434.352 2.482 0 40 IEAB COc1ccccc1CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2cnccn2)cc1 67896697 IHLGCDKBOJPDNE-NFBKMPQASA-N 448.479 2.199 0 40 IEAB biogenic,in-vitro COc1ccc(CCC(=O)N2CCCN(C(=O)[C@@H](C)NC(=O)c3ccco3)CC2)cc1 72280474 QNFRYFWTNIPMGG-QGZVFWFLSA-N 427.501 2.100 0 40 IEAB CCNS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)c1c(C)nn(C(C)(C)C)c1C 97162347 SIZUUEMVJXAWKL-UHFFFAOYSA-N 432.543 2.493 0 40 IEAB COc1ccc(-c2noc(COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)c(OC)c1 103268898 DDNXPMHVQMNKJT-HUUCEWRRSA-N 441.440 2.138 0 40 IEAB Cn1c(=O)c2c(nc(-n3nc(-c4ccco4)cc3O)n2C/C=C/c2ccccc2)n(C)c1=O 103805588 FYLXWGFLWKGBMJ-UXBLZVDNSA-N 444.451 2.298 0 40 IEAB CCS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 253490992 KUHZXYKGJBNJKU-CRAIPNDOSA-N 434.562 2.300 0 40 IEAB CC(C)c1nc2ccccc2n1CCCC(=O)N1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)C1 257273943 NIWAWZHLKDWHOJ-QZTJIDSGSA-N 448.531 2.106 0 40 IEAB COc1cccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCc2ccccn2)c1 408710089 OEMFSSHHVSFGRW-UHFFFAOYSA-N 432.480 2.318 0 40 IEAB CN(CCc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 507454784 DPHLNHAYTCYPNE-UHFFFAOYSA-N 436.477 2.390 0 40 IEAB O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)Nc1ccc(OCc2ccncc2)cc1 511199787 KTMCJLTYVIPDAR-UHFFFAOYSA-N 437.481 2.454 0 40 IEAB Cc1cc(CN2CC3(C2)[C@@H](C(=O)N2CCOCC2)c2ccccc2C(=O)N3C(C)C)no1 1549166255 BUVDNXCTXASFNW-OAQYLSRUSA-N 438.528 2.044 0 40 IEAB Cc1ccc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)cc1 2056225815 CHXNRFRQGLWDKN-OXJNMPFZSA-N 436.434 2.485 0 40 IEAB COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)NCCc1c[nH]c2ccccc12 2380946 MOYTVPNRCWINQN-UHFFFAOYSA-N 432.498 2.422 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 2688568 CQBRJPBFBLPCGA-CRAIPNDOSA-N 445.522 2.026 0 40 IEAB O=c1[nH]c2cc3c(cc2cc1CN(CCO)C(=S)NCc1ccccc1)OCCO3 6446565 MVHMOVCYSQATGG-UHFFFAOYSA-N 425.510 2.168 0 40 IEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 8624191 ATRKVMIBCUFLSJ-HSZRJFAPSA-N 438.459 2.006 0 40 IEAB CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc2c1CCN(C(=O)OCC)C2 8637015 FUIWCTNFFFMDPM-UHFFFAOYSA-N 440.591 2.384 0 40 IEAB CCCN(C(=O)COc1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9633615 CVRWMOSOLNVZGC-UHFFFAOYSA-N 426.448 2.128 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)cc1 10059478 VFOBMINFKPQYOA-INIZCTEOSA-N 431.514 2.224 0 40 IEAB COc1cccc(CNC(=O)CSc2nc(=O)n(C[C@H]3CCCO3)c3c2CCC3)c1 10255410 WWHAUJHLCZQHIK-QGZVFWFLSA-N 429.542 2.328 0 40 IEAB COc1ccc(N(CC(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)cc1Cl 10540596 BXFTZNNHEUAIDQ-UHFFFAOYSA-N 431.986 2.353 0 40 IEAB CCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccc(OC)cc1)c(=O)n2C 11613345 PIFGDIVMCCALOB-UHFFFAOYSA-N 436.516 2.475 0 40 IEAB CC[C@H](NC[C@@H](O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1)C(=O)O 11667604 MNKQDMAGFRLZDT-XLIONFOSSA-N 436.530 2.013 0 40 IEAB Cc1cc(C)cc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2cc(C)cc(C)c2)c1 12808722 MKWLKEAKEUHZEY-UHFFFAOYSA-N 440.496 2.166 0 40 IEAB Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCCCC1 13057883 ITUHOUJQFXGUFK-UHFFFAOYSA-N 427.577 2.334 0 40 IEAB CC[C@]1(C)NC(=O)N(NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)C1=O 14117593 HKSAQBTVAUZZAZ-NRFANRHFSA-N 439.497 2.185 0 40 IEAB C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 14162045 ZBSDUOGHJVELMG-IBGZPJMESA-N 435.267 2.498 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1C 14248466 KBUZNTGYORYQEG-AWEZNQCLSA-N 435.502 2.268 0 40 IEAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nnc12 15125605 KIEIWGMYSVKKSR-UHFFFAOYSA-N 436.497 2.284 0 40 IEAB CN1CCN(N2CNC3=N[C@H](c4ccc(Cl)cc4)n4c(nc5ccccc54)N3C2)CC1 19171503 LTKZZJFOVBYCOE-FQEVSTJZSA-N 436.951 2.395 0 40 IEAB COCCC(=O)N1CC[C@@H](c2nc(O)c3c(n2)CN(Cc2ccccc2OC)CC3)C1 19593090 MVMQSDCWZUTOKY-QGZVFWFLSA-N 426.517 2.102 0 40 IEAB C[C@@H](OC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)C(=O)NC1CCCCC1 19628555 MRJACJKWKABRPE-CVEARBPZSA-N 447.557 2.228 0 40 IEAB CNc1nc([C@@H]2CCCN2CC(=O)Nc2ccc(OC)cc2)nc2c1CCN(C(C)=O)C2 19708603 OLCKHAUNDZKSFM-FQEVSTJZSA-N 438.532 2.207 0 40 IEAB CNc1cc(C(=O)N2CCO[C@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)ccn1 19762723 DIQKIGOKTCRTCJ-NRFANRHFSA-N 449.511 2.261 0 40 IEAB COc1cc(OC)c2cc(C(=O)N3CCC(c4ncc(C(N)=O)c(C)n4)CC3)n(C)c2c1 19766624 JTINBNMPMXVNOD-UHFFFAOYSA-N 437.500 2.413 0 40 IEAB CCN(c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)S(C)(=O)=O 19937787 OVUKJVAJJAEZSA-UHFFFAOYSA-N 435.521 2.339 0 40 IEAB COc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 22229130 KYWPOHCDCTWTAW-UHFFFAOYSA-N 445.541 2.167 0 40 IEAB CCN1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)CC1 22358768 HZRDBYRDDQACIC-MRXNPFEDSA-N 429.517 2.038 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@H]2COc3ccccc3O2)cc1 22382100 JXNUEXLIPPGJJJ-KRWDZBQOSA-N 434.514 2.052 0 40 IEAB Cc1ccc(N2C(=O)[C@@H]3CN[C@@]4(C(=O)Nc5ccc(Br)cc54)[C@@H]3C2=O)cc1 23109616 ZWGQGNLBFCJSOG-JOTOCRJQSA-N 426.270 2.314 0 40 IEAB CCNC(=O)COc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)cc1 23136589 CRHVBRIFDNFBTJ-UHFFFAOYSA-N 439.559 2.302 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 23652212 CNBKZSMLHIQNPA-UHFFFAOYSA-N 431.514 2.224 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)c2)CC1 23684649 IGHNHSGBUIVHDM-NQIIRXRSSA-N 433.574 2.334 0 40 IEAB O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 24630956 PNEZCZCPZVCTBO-UHFFFAOYSA-N 426.425 2.460 0 40 IEAB C[C@@]1(NC(=O)CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)CCS(=O)(=O)C1 26457799 IDPMCHMSMLTPQQ-CRAIPNDOSA-N 448.372 2.090 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 33899904 FEUHMDGMNAMRAF-CYBMUJFWSA-N 436.486 2.186 0 40 IEAB CCCOc1ccc(-c2nc3s/c(=C/c4ccc(OCC(N)=O)cc4)c(=O)n3n2)cc1 34386787 WMHFEJLELCQAAP-LDADJPATSA-N 436.493 2.019 0 40 IEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1cccc(NC(=O)N2CCCC2)c1 40155344 DTJIGMUAAHHBKZ-UHFFFAOYSA-N 435.484 2.024 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[nH]c(=O)c21 40388955 GDPLMALTWYNNLQ-UONOGXRCSA-N 425.489 2.388 0 40 IEAB COC(=O)c1ccc(OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 57853180 ACVFWNYHWOVPDM-OAHLLOKOSA-N 429.922 2.464 0 40 IEAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccccc2F)c1 59294640 GYUDCVXFEBAMIH-UHFFFAOYSA-N 430.505 2.491 0 40 IEAB CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(C(=O)c3cc[nH]n3)CC2)C1 72380212 RKBAFUXXGRIGCQ-IBGZPJMESA-N 437.544 2.086 0 40 IEAB O=C(CN1CCS[C@H]2CCCC[C@@H]21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 79053481 MXOJQYUNUUOPDW-OALUTQOASA-N 439.603 2.006 0 40 IEAB O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 84392644 BGUXSNABTQBCKY-IBGZPJMESA-N 431.924 2.075 0 40 IEAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cc3ccc(OC)cc3n(C)c2=O)o1 96114957 SZWXFNNSYOKQEM-HNNXBMFYSA-N 429.425 2.047 0 40 IEAB biogenic Cc1nc2c(c(NC[C@@H]3CCCO3)n1)[C@@H]1CC[C@@H](C2)N1S(=O)(=O)CCc1ccncc1 100222967 MKONIVONBFOVSY-BJLQDIEVSA-N 443.573 2.405 0 40 IEAB CS(=O)(=O)N(CCCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 113943079 MJWJFUBHACGXBX-UHFFFAOYSA-N 445.541 2.310 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN1C(=O)c2ccccc2C1=O 225434784 RCBJOIDGTMXTHS-OAHLLOKOSA-N 425.460 2.365 0 40 IEAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225561500 RRCGQGDCFPVHHC-UHFFFAOYSA-N 445.541 2.488 0 40 IEAB CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCCO4)CCN2C)c1 257266931 MFFDMKKEBHFMLM-HXUWFJFHSA-N 438.528 2.135 0 40 IEAB COc1ccc(N(CCCC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260910251 XKIQJMJMYYPAQN-SFHVURJKSA-N 434.514 2.198 0 40 IEAB COc1ccc(CNC(=O)Cn2nnc(-c3ccc(NC(=O)c4cccnc4)cc3)n2)cc1 1357981 KGQJYQQPISNNPR-UHFFFAOYSA-N 443.467 2.312 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(SCC(=O)O)nc2ccccc2c1=O 2651889 SZYQJZPCYGASEX-UHFFFAOYSA-N 433.511 2.121 0 40 IEAB CC(=O)Nc1ccc(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cc1 3348156 IMPZTDANRLXMJL-UHFFFAOYSA-N 438.509 2.111 0 40 IEAB CCOc1ccc(OCCNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 9050380 IJVJDEKPPLFCMI-QFIPXVFZSA-N 447.438 2.326 0 40 IEAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 9288777 HHNJEGFZVNNCKV-HNNXBMFYSA-N 431.514 2.375 0 40 IEAB COC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 9308510 BKILLGGCHKOXDV-HSZRJFAPSA-N 434.427 2.426 0 40 IEAB Cc1cc(C(=O)CSc2nnnn2Cc2ccccc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 9446571 DINYCQXWMWKYGE-QGZVFWFLSA-N 445.570 2.474 0 40 IEAB COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccc(OCC(N)=O)cc1 9592103 PKOSMCUKTPZCTM-OAQYLSRUSA-N 436.464 2.466 0 40 IEAB O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 9712604 ZIWLESDNVDFCBC-CYBMUJFWSA-N 426.844 2.371 0 40 IEAB CCCn1c(N)c(N(CCOC)C(=O)C2(c3ccc(Cl)cc3)CCC2)c(=O)[nH]c1=O 9955291 JIUPCKRMXDVCTL-UHFFFAOYSA-N 434.924 2.284 0 40 IEAB CCOC(=O)Cn1c(C)c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc12 10233730 XJKIFHLOZDUGNR-UHFFFAOYSA-N 443.891 2.031 0 40 IEAB Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1I 11050465 WPHMOWYQZBWNSZ-UHFFFAOYSA-N 426.258 2.323 0 40 IEAB Cc1nc(NC(=O)CN2CC[C@]3(CCC2=O)CNC(=O)c2ccccc2O3)sc1C 12086578 XRIAENFLKYIBAU-OAQYLSRUSA-N 428.514 2.272 0 40 IEAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NCc1ccncc1 12233445 KPQYVEMZAJWCEM-INIZCTEOSA-N 436.472 2.470 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccc(OC)cc2)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12251454 WAIIURPDQWQONO-UHFFFAOYSA-N 449.442 2.409 0 40 IEAB O=C(NCCC(=O)N1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 12322200 GNESVZDPFIEKGX-INIZCTEOSA-N 441.981 2.260 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12783059 QSSGUEUMMMTNEJ-HNNXBMFYSA-N 442.497 2.321 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)O 12864129 YDEOZOCNAWLVML-PVAVHDDUSA-N 441.569 2.390 0 40 IEAB biogenic COC(=O)CNC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 12977467 YKJCLOHRVLYGHR-UHFFFAOYSA-N 437.496 2.389 0 40 IEAB O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1)NC[C@@H]1CCCO1 13501964 BIMCFVPZTYENJQ-KRWDZBQOSA-N 430.530 2.186 0 40 IEAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCCc3ccccc3)cc2)C1=O 13723303 KILXUDKBRRYTGL-UHFFFAOYSA-N 436.555 2.300 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)Cn2c(SC(F)F)nc3ccccc32)cc1 14797206 BWNWAZYWYKDGAE-UHFFFAOYSA-N 440.497 2.357 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCn2c(C)nc3ccccc32)cc1 16109810 BQJXIGWLHXRGPW-OAQYLSRUSA-N 442.541 2.323 0 40 IEAB COC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 16850594 CBZNKZSSOWCFJE-AWEZNQCLSA-N 443.481 2.324 0 40 IEAB COc1ccc(-c2nc([C@H]3CCCN(C(=O)CCn4ccnc4C)C3)[nH]c2C(N)=O)cc1 19698904 OQYOIABLODIQLA-KRWDZBQOSA-N 436.516 2.485 0 40 IEAB COCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 19824304 BQTVPBQTASEGQA-UHFFFAOYSA-N 446.617 2.190 0 40 IEAB Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 32306251 FUYQFKZRMDNLAP-UHFFFAOYSA-N 449.598 2.183 0 40 IEAB NC(=O)c1c(NC(=O)COC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)sc2c1CCC2 32912288 XGSCSBYYBSZYCC-AWEZNQCLSA-N 431.445 2.150 0 40 IEAB NC(=O)N1CCC[C@H](C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)C1 40107837 DAJABYAQLVJANT-HOCLYGCPSA-N 426.439 2.276 0 40 IEAB O=C(COc1coc(CN2CCCCC2)cc1=O)N1CCN(c2ccc(F)cc2)CC1 44903021 YFLDJAOVFCGISH-UHFFFAOYSA-N 429.492 2.492 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 44904109 VVYZJAAASFZCMS-UHFFFAOYSA-N 445.541 2.241 0 40 IEAB CCCn1c(CN2CCN(c3cc(Cl)ccc3C)CC2)nc2c1c(=O)n(C)c(=O)n2C 57122046 LEPPMHYPXBPMLY-UHFFFAOYSA-N 444.967 2.128 0 40 IEAB C[C@@H](C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1)n1nc2ccccc2n1 72325356 JJKCQGMJQDQRJQ-FYSMJZIKSA-N 446.511 2.326 0 40 IEAB Cc1ccc2occ(CN3CCc4c(nc(N5C[C@@H](C)O[C@H](C)C5)[nH]c4=O)C3)c(=O)c2c1 72335567 AMLRJHOGWVUOPT-HZPDHXFCSA-N 436.512 2.357 0 40 IEAB COc1ccc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cc1CN1CCOCC1 72336791 PNOJAXLNQMZHOC-UHFFFAOYSA-N 447.539 2.231 0 40 IEAB Cc1nc(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)sc1C(=O)N(C)C 77100398 HDSYXJWHVUKYNR-UHFFFAOYSA-N 425.396 2.400 0 40 IEAB COc1ccc(-c2cc(C(=O)NCCc3ccncc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 79492615 PDOVXJKXPAPACK-SFHVURJKSA-N 440.525 2.286 0 40 IEAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCN(CCc2ccncc2)CC1 95480214 HALNVVHGIFIFNR-FQEVSTJZSA-N 439.951 2.282 0 40 IEAB COCCN(CC(=O)O)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 95969825 QKJVPQORTOGKSC-UHFFFAOYSA-N 432.926 2.078 0 40 IEAB CC(C)[C@H](C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1)N1CCCS1(=O)=O 95972240 SFLSXWJFJVZJDE-GOSISDBHSA-N 447.523 2.410 0 40 IEAB CCOc1cccc(CNc2ncc3c(=O)n(-c4ccc5c(c4)OCO5)c(=O)[nH]c3n2)c1 102911704 AARLGDRQYMQSHV-UHFFFAOYSA-N 433.424 2.209 0 40 IEAB COc1cc(CNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc(OC)c1OC 220485981 ARSYZFJVFZKBKL-ZDUSSCGKSA-N 440.493 2.322 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CCN(C)CC2)c1 225942099 KBRXHYIRCOKBMS-UHFFFAOYSA-N 429.586 2.311 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(CCOc3cccc(F)c3)n(C)n2)C1 257272084 NAZWVLPVOWTKKL-HXUWFJFHSA-N 440.541 2.141 0 40 IEAB COc1cccc(N2C[C@H](C(=O)N3CC[C@@H](c4ccccc4)S(=O)(=O)CC3)CC2=O)c1 390831706 UHEYSVDLVDCUSE-NQIIRXRSSA-N 442.537 2.437 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1ccccc1C(N)=O 408702278 MMXTUURFNDHJMQ-UHFFFAOYSA-N 431.514 2.467 0 40 IEAB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2CCCN21 504661978 KRSYHPAEUURVAM-ZCGKIOINSA-N 445.475 2.409 0 40 IEAB biogenic COc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 575618167 SVMJUTWRHYXWIM-UHFFFAOYSA-N 434.905 2.479 0 40 IEAB COc1cc(CN2CC[C@](O)(CN3CCC(F)(F)CC3)C2)ccc1OCCN(C)C 585270615 AFPDRQZLMKRWLM-NRFANRHFSA-N 427.536 2.304 0 40 IEAB O=C(COC(=O)c1ccccc1I)NCc1ccc2c(c1)OCO2 3391524 UXXZJNKMYMXXON-UHFFFAOYSA-N 439.205 2.493 0 40 IEAB CCC(=O)c1ccc(OCC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 8776748 PYTOMGBGDREZRD-UHFFFAOYSA-N 444.532 2.436 0 40 IEAB C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)OCC(=O)NC(=O)Cc1ccccc1 9125957 VDWOROKROCOWMQ-KRWDZBQOSA-N 432.476 2.316 0 40 IEAB O=C(c1ccc(CSc2nnc[nH]2)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 9634388 BKKUNACDEUXXCT-UHFFFAOYSA-N 449.583 2.305 0 40 IEAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 10054764 NLDGAWTULDGQHD-NXNIQBKKSA-N 429.473 2.260 0 40 IEAB COC(=O)c1ccc(N[C@@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 10152151 JMWXQJAWPLHWCL-MRXNPFEDSA-N 439.449 2.203 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2cc(OCc3ccccc3F)c(=O)cc2CO)cc1 12230959 QFMHJWREACETNI-UHFFFAOYSA-N 440.427 2.484 0 40 IEAB CC(C)CNC(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 12556027 ZRJFWXGLEFGJAA-UHFFFAOYSA-N 428.580 2.220 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2ccc(C)cc23)cc1 12899319 ZIHALMCBOKYSNF-LAYHWMEGSA-N 437.496 2.317 0 40 IEAB biogenic Cn1c(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)nc2sccc2c1=O 13418135 YWWSVZRWWYRUFQ-HNNXBMFYSA-N 442.522 2.381 0 40 IEAB Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)o2)n(C)n1 13614649 MSRQLQAMHHGOBU-UHFFFAOYSA-N 444.517 2.451 0 40 IEAB Cc1cccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c12 19236464 DMJWZGPLIZMJFQ-QHCPKHFHSA-N 443.555 2.403 0 40 IEAB NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)COc2ccccc2)CCO1 19373476 KYWFZIQKJQPRIM-RUZDIDTESA-N 431.492 2.453 0 40 IEAB C[C@H]1CCc2c(sc3ncn(C4CCN(C(=O)[C@H]5CC(=O)N(C)C5)CC4)c(=O)c23)C1 19497198 VZTZOMRONMZPKJ-KBPBESRZSA-N 428.558 2.225 0 40 IEAB CCn1cc([C@H](O)CN2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c2ccccc21 19524770 NNGZCLKWRVYTPB-JOCHJYFZSA-N 434.606 2.289 0 40 IEAB O=S(=O)(NCCCN1CCOCC1)c1ccc(Br)cc1Br 19619379 RNSZKTBUOOXEER-UHFFFAOYSA-N 442.173 2.212 0 40 IEAB Cn1nccc1C(=O)N1CCC(c2ccc(C(=O)NCc3ccccc3F)c(N)n2)CC1 19765962 PDHYKIFRMOIDEH-UHFFFAOYSA-N 436.491 2.486 0 40 IEAB CCN(c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)S(C)(=O)=O 26111414 ZLPGMDPGLHYEJM-UHFFFAOYSA-N 445.541 2.159 0 40 IEAB COc1cccc(C(=O)N2CCN(C(=O)c3ccc(N4C[C@H](C)O[C@@H](C)C4)nc3)CC2)c1 30041409 HQVYIIAKCLLLDN-ROUUACIJSA-N 438.528 2.302 0 40 IEAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnn3cccnc23)CC1 32754607 RIYSVGZPHALILP-SFHVURJKSA-N 427.892 2.445 0 40 IEAB CCn1c2ccccc2c2cc(CN(C)CC(=O)N3CCN(S(C)(=O)=O)CC3)ccc21 58007146 ISTDJQBDYHYCJZ-UHFFFAOYSA-N 442.585 2.350 0 40 IEAB CNc1c(Br)cncc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 72210925 RETKCYVGIBQCAL-UHFFFAOYSA-N 435.344 2.127 0 40 IEAB COc1ccc(OC)c2c1cc(C(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)n2C 72402353 YMRBLYIDRBBOJP-CYBMUJFWSA-N 432.502 2.312 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccc(F)cc3)C2)CC1 77200351 FIHWQAHGQBFUSN-MSOLQXFVSA-N 441.525 2.473 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cccc3cn[nH]c23)c(NS(=O)(=O)C(F)F)c1 89432844 NNPATEJNNDWCHQ-UHFFFAOYSA-N 432.430 2.337 0 40 IEAB COCCN(C(=O)Nc1ccc(OC2CCOCC2)c(C)c1)[C@H]1CCS(=O)(=O)C1 95983862 KOADKAJHODPJRI-KRWDZBQOSA-N 426.535 2.220 0 40 IEAB CC(=O)N1C[C@H]2C3(CCN(C(=O)c4cc(C)on4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96143823 CQFFWBSUNXJXNW-WMZHIEFXSA-N 428.533 2.086 0 40 IEAB CCOc1ccc(CN2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)cc1 97160115 SVEFMSXPECZKSZ-RZUBCFFCSA-N 446.617 2.455 0 40 IEAB O=C(CN1CCC[C@@H]1Cn1cnc2ccccc21)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 107538218 AAQZMBVVXZQENZ-UXHICEINSA-N 444.601 2.459 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222477890 FUNUMSWWYYLLCS-UHFFFAOYSA-N 436.486 2.447 0 40 IEAB COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223673034 NXLCQJDYLZSKRB-UHFFFAOYSA-N 427.500 2.465 0 40 IEAB O=C(Nc1nnc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)s1)c1ccccc1 224034983 MKIRAIRNRPYXSL-UHFFFAOYSA-N 443.554 2.297 0 40 IEAB O=C(Cc1ccccc1Cl)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224499537 NWSTWOIPCRJING-UHFFFAOYSA-N 438.933 2.099 0 40 IEAB COc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1OC 225883861 NDPGVCFQIBSTSY-UHFFFAOYSA-N 428.536 2.061 0 40 IEAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1nccn1Cc1ccc(Br)cc1 1117527664 CAFJHJKYEZBPGP-UHFFFAOYSA-N 445.321 2.417 0 40 IEAB COc1ccc(-c2ncnc(N3CC(N(C)S(=O)(=O)c4cccnc4)C3)c2F)cc1 1775974535 UTKRCIUBPIIZDJ-UHFFFAOYSA-N 429.477 2.196 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1 3174203 UVCJXNUTOIAVMW-MRXNPFEDSA-N 446.525 2.275 0 40 IEAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 3289721 WTDWRWBAXCARAB-UHFFFAOYSA-N 425.507 2.434 0 40 IEAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 8647712 GVIIJWRPVMZOSI-UHFFFAOYSA-N 438.436 2.421 0 40 IEAB C[C@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)Nc1ncc(Cl)cc1Cl 8686183 STIUFXKINYWTDP-ZMLRMANQSA-N 428.272 2.434 0 40 IEAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cc(OC)ccc3OC)CC2=O)cc1 9036106 XLZQVJOYYLGWSB-OAHLLOKOSA-N 434.514 2.434 0 40 IEAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 9217826 VRBCJRASSMODEY-UHFFFAOYSA-N 447.586 2.116 0 40 IEAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n1 9660359 CLHXFWSIOJDEHQ-MRXNPFEDSA-N 434.500 2.435 0 40 IEAB CCCCc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(=O)OC)c(=O)n(C)c4nc23)cc1 9713012 DVVCFBHRLYJWPY-UHFFFAOYSA-N 437.500 2.271 0 40 IEAB O=S(=O)(c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1)N1CCOCC1 10119311 USLFHNRBTXXTSL-UHFFFAOYSA-N 442.946 2.112 0 40 IEAB C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 10344890 CPYIHLPJYUQXKV-SMDDNHRTSA-N 444.579 2.415 0 40 IEAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 11858364 SKHIWSKDMQZRSR-UHFFFAOYSA-N 445.316 2.316 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3F)CC2)cc1 12748750 CHXWADOADSTFLA-UHFFFAOYSA-N 446.497 2.105 0 40 IEAB Cc1ccc(C)c(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2cc(C)ccc2C)c1 12798326 BGPWYRKWSXCJKL-UHFFFAOYSA-N 440.496 2.166 0 40 IEAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 12933135 OKJLSRSCSQBIGE-QFIPXVFZSA-N 442.422 2.497 0 40 IEAB COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1 13504264 QZKQADPZVNEADX-QFIPXVFZSA-N 438.532 2.248 0 40 IEAB Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 14920926 WGBANQUREXGAMV-OAHLLOKOSA-N 436.965 2.445 0 40 IEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)C(C)(C)NS(=O)(=O)c1cccs1 19130294 BHAKOJRISVMGQM-DZGCQCFKSA-N 445.570 2.445 0 40 IEAB Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CCCO4)[nH]c(=O)c3C2)s1 19216995 UMUTWDLWKVXLQC-DLBZAZTESA-N 442.541 2.181 0 40 IEAB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 19951325 IEKNRQFQWXQZJN-OEAKJJBVSA-N 438.465 2.125 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 20375109 RCOJUHLCAXXBNS-UHFFFAOYSA-N 428.514 2.145 0 40 IEAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 22232520 ZVMRDXVHPRWCQM-HXUWFJFHSA-N 436.505 2.466 0 40 IEAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 22473711 NWCCIQPAMSLQBR-QFIPXVFZSA-N 428.439 2.081 0 40 IEAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(Br)cc1 23261393 VRBDTWRHNYUUGQ-NSHDSACASA-N 433.349 2.478 0 40 IEAB COc1ccc(NC(=O)c2ccc(COC(=O)[C@H]3CCCN3S(C)(=O)=O)cc2)cc1 32865422 SLSIHMVZFDADPY-LJQANCHMSA-N 432.498 2.415 0 40 IEAB Cc1nn(C)c2ncc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)cc12 32899786 JVBOENDDPUURNT-KBPBESRZSA-N 443.529 2.327 0 40 IEAB COC(=O)c1ccc(C)c(S(=O)(=O)Oc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 40061688 JFXSDZXTOJYBSA-UHFFFAOYSA-N 432.498 2.218 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)C[C@@H](C)O1 58195760 IQZRRQKBKBHJSC-OKILXGFUSA-N 449.533 2.175 0 40 IEAB COc1ccc(OCCN2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccccc4C(=O)N3)C2)cc1 72334391 XCQLCGNXFMGUFM-RDGATRHJSA-N 437.540 2.209 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(C(=O)c4nccn4C)C3)nc2C)c1 72345556 YFVDWFRXXFGUJJ-SFHVURJKSA-N 448.527 2.477 0 40 IEAB O=C(c1ccc(=O)[nH]n1)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72356166 NVVYMGAPYMFUKO-AWEZNQCLSA-N 438.509 2.087 0 40 IEAB O=S(=O)(N1CCOCC1)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72371308 NCFGJSBYGJNGKJ-HNNXBMFYSA-N 440.953 2.051 0 40 IEAB COc1ccc(C(=O)N(C)c2c(F)cccc2C(N)=O)cc1S(=O)(=O)NC1CCCC1 95997550 PDYRYXZWHDMAOG-UHFFFAOYSA-N 449.504 2.431 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4C[C@H](C)O[C@@H](C)C4)CC3)CC2=O)cc1 103081676 MJXUTQYZEVFXTK-CMKODMSKSA-N 427.545 2.222 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCCC[C@H]4C)nc(=O)c32)c(OC)c1 139106522 WHNKOTOSKMIKOE-TZMCWYRMSA-N 441.488 2.230 0 40 IEAB O=S(=O)(Cc1ccco1)[C@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 206695662 PKOIXNQFCGXBQX-NSHDSACASA-N 440.362 2.482 0 40 IEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)s1 224267505 ONSVESSXJAVGPY-UHFFFAOYSA-N 428.521 2.065 0 40 IEAB CN(Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224433327 NIYCLKNTSQDSQQ-UHFFFAOYSA-N 449.960 2.498 0 40 IEAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)C(=O)Nc1cccc(N2CCCC2=O)c1 238839267 HLUDDPSQWCJJJX-JOCHJYFZSA-N 439.493 2.459 0 40 IEAB CCS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)[C@@H]3CC=CCC3)nc2C1 253490993 KUHZXYKGJBNJKU-QAPCUYQASA-N 434.562 2.300 0 40 IEAB CC(=O)N[C@@]12CN(CC(=O)Nc3ccnn3C(C)C)CC[C@@H]1[C@@H](c1ccccc1)N(C)C2 257252594 JVIDYDVHROYIOS-HUVFLSCGSA-N 438.576 2.286 0 40 IEAB Cc1nonc1CNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccnc(N2CCCCC2)c1 257254678 KEFAEALTIUZLCM-JOCHJYFZSA-N 426.521 2.465 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408658051 KRPMUGRQAATUAZ-NHQIJDEQSA-N 426.469 2.009 0 40 IEAB Cc1nc(CN2CCN(CC(C)CN3CCN(Cc4nc(C)c(C)o4)CC3)CC2)oc1C 532965727 AMCICJATIWLCEP-UHFFFAOYSA-N 444.624 2.468 0 40 IEAB O=c1c2ccccc2ncn1[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 575616295 IPTXUSFWMPXDQT-CYBMUJFWSA-N 427.511 2.427 0 40 IEAB COc1cc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)ccc1OCCCN(C)C 585274320 VGOOZTCFXPUHST-OALUTQOASA-N 427.536 2.302 0 40 IEAB COc1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1787111 CNDBNNPDZZIERP-CCRNYGKSSA-N 448.928 2.423 0 40 IEAB Cc1c(C)n2c3c(=O)n(CC(=O)c4ccccc4)c(=O)n(C)c3nc2n1Cc1ccco1 6300149 MRXYEKGUICTODG-UHFFFAOYSA-N 431.452 2.290 0 40 IEAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1cc(OC)cc(OC)c1 9120767 VRYWMLPWZOVTEJ-UHFFFAOYSA-N 436.534 2.437 0 40 IEAB COc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N(C)OC)c3)cc(=O)oc2c1 9172426 SANRKQXTVMVQSI-UHFFFAOYSA-N 433.438 2.341 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 9418330 CPVIDUMYXZTGOV-LJQANCHMSA-N 443.569 2.445 0 40 IEAB COC(=O)CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)ccc1Cl 9512757 KYQQKMYIHWYGNF-UHFFFAOYSA-N 440.905 2.467 0 40 IEAB CS(=O)(=O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)nn1 9572658 ZZIYPLDRIGUUSC-UHFFFAOYSA-N 447.494 2.119 0 40 IEAB Cc1ccccc1-n1ncc2c(C)nn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)c21 12228563 YTCMKEGAJOIFBV-UHFFFAOYSA-N 431.452 2.244 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)C1 13004097 JAGSGSNDQIOVIM-INIZCTEOSA-N 440.525 2.456 0 40 IEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 13165061 PIDLYGBWVOKXKJ-XMMPIXPASA-N 435.480 2.200 0 40 IEAB Cc1sc2nc(CN3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)[nH]c(=O)c2c1C 16699530 HDEONGOMRHVIMD-UHFFFAOYSA-N 449.540 2.140 0 40 IEAB CCOc1ccc(-n2nnc3c(=O)n(Cc4nc(-c5ccc(OC)cc5)no4)cnc32)cc1 16843411 FNZRFGLMXNAVDP-UHFFFAOYSA-N 445.439 2.483 0 40 IEAB CCCC(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699312 YPMYVOWXRWAGLI-UHFFFAOYSA-N 426.561 2.407 0 40 IEAB CN1CCC2(CC1)NC(=O)N(CN1CCN(C(c3ccccc3)c3ccccc3)CC1)C2=O 22919219 LRDUNNDYEZQTMW-UHFFFAOYSA-N 447.583 2.367 0 40 IEAB COc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2)cc1OC 23134305 GLCOTGSHMSQPMD-UHFFFAOYSA-N 442.907 2.291 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)NCCOc2cccc3c2OC(C)(C)C3)cc1 24449798 BOYHDLPSOUMHIA-UHFFFAOYSA-N 432.542 2.436 0 40 IEAB O=C(Nc1cccc(Cn2ccnc2)c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 25181373 WYSPCGPRDZMAHE-UHFFFAOYSA-N 425.514 2.366 0 40 IEAB O=C(COc1ccccc1)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 27663074 XBNHDHRLGZTIPX-CYBMUJFWSA-N 434.539 2.171 0 40 IEAB COC[C@H](C)N1C(=S)N[C@H](c2ccccc2F)[C@H](C(=O)Nc2cc(C)on2)[C@]1(C)O 37291379 VETCPRBLAXYGAD-YEWBLCAASA-N 436.509 2.352 0 40 IEAB COc1ccc(-c2c3c(=O)n(CCCN4CCOCC4)ccc3nc3nc(C)nn23)cc1 38828776 ZAGGONNWTYBHED-UHFFFAOYSA-N 434.500 2.146 0 40 IEAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O 57485874 KTCRMXMCZNPBSN-UHFFFAOYSA-N 433.486 2.299 0 40 IEAB CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)c1cc2cccc3c2n(c1=O)CCC3 71281784 KBVBILAOKOVGQO-MRXNPFEDSA-N 425.437 2.184 0 40 IEAB biogenic Cc1nc(C)n(C[C@H](C)C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)n1 72337205 WAIGXUSQCMIFPW-HNNXBMFYSA-N 441.580 2.181 0 40 IEAB COC(=O)C1=NN(C(C)(C)CC(C)=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 100754861 CEAKHTKIMZBGSD-UKRRQHHQSA-N 440.283 2.454 0 40 IEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 102384883 IOMLNTLCXGTEDU-OALUTQOASA-N 445.541 2.141 0 40 IEAB COc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 224275794 VKIYTVQNYFWDOK-UHFFFAOYSA-N 434.514 2.297 0 40 IEAB CCN(c1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1)S(C)(=O)=O 224731602 WGWNBMCBLZUDHQ-UHFFFAOYSA-N 431.558 2.235 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)c2cc(OC)ccc2OC)Oc2ccccc21 260772576 ZGPXNOHIRGMSEM-VLIAUNLRSA-N 434.514 2.498 0 40 IEAB Cc1ccc(N2CCC(O)(CN3CC[C@@H]4[C@@H](CCCCN4S(C)(=O)=O)C3)CC2)cc1 585284476 SNZRZTHAHUZHBU-RBBKRZOGSA-N 435.634 2.462 0 40 IEAB CCc1nnsc1C(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(N)=O)C1 585286666 PZTPPYZUAULAHV-IBGZPJMESA-N 438.937 2.228 0 40 IEAB O=C(Nc1ccc(Br)cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 1169611692 OCXITMRTRYKRSU-GFCCVEGCSA-N 448.325 2.496 0 40 IEAB COc1ccc(Cl)cc1C(=O)N1CC(Cn2nc(-n3nc(C)cc3C)ccc2=O)C1 1775966355 ZVOJOCXFDJZODS-UHFFFAOYSA-N 427.892 2.480 0 40 IEAB O=C(COC(=O)/C=C/c1ccc(Br)o1)NC(=O)[C@@H]1COc2ccccc2O1 3348005 BEFLHQNHQITVIX-OWNNVSBGSA-N 436.214 2.081 0 40 IEAB O=C(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 3416587 GWKSMLBBSKSKPF-UHFFFAOYSA-N 432.860 2.438 0 40 IEAB COCCNC(=S)N(Cc1cccnc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6136229 UAWQJYNLPZDYRF-UHFFFAOYSA-N 440.525 2.217 0 40 IEAB O=c1c(F)cn([C@H]2CCCO2)c(=O)n1Cc1nnc(-c2ccccc2Br)o1 9454023 WFAJWBQGHANWMY-CQSZACIVSA-N 437.225 2.319 0 40 IEAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)n1 9781475 SJGGSZACSRALPB-JOCHJYFZSA-N 431.456 2.236 0 40 IEAB CC(=O)Nc1ccc(NC(=O)c2cn(C)c3c(=O)n(-c4ccc(F)cc4)c(=O)[nH]c23)cc1 9820581 QLASPXLMSKXZPD-UHFFFAOYSA-N 435.415 2.367 0 40 IEAB COc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1S(=O)(=O)N1CCCC[C@@H]1C 10457552 XPLIAWKOCHYIMI-INIZCTEOSA-N 447.557 2.493 0 40 IEAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCCc1c[nH]c2ccccc12 11904128 KCFODAOBUNHLLE-UHFFFAOYSA-N 447.538 2.064 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2nnc(-c3ccccc3)o2)cc1 12880557 QITBTPLHNXFQIQ-UHFFFAOYSA-N 444.469 2.107 0 40 IEAB O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCC1 15958690 ACRIVRZALFKCEU-NAZDKBRTSA-N 431.492 2.298 0 40 IEAB biogenic O=C(CCc1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 17847062 FFJWKJJMLNWPCJ-UHFFFAOYSA-N 438.553 2.479 0 40 IEAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 18217488 PHGXDFLLKUVVDG-UHFFFAOYSA-N 443.569 2.233 0 40 IEAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)c2cnccn2)CCO1 19580843 ZIFJLQJHLUPNNW-DEOSSOPVSA-N 431.496 2.081 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)cc1Cl 20016202 GRJAGYNYOAQNPR-GFCCVEGCSA-N 442.921 2.349 0 40 IEAB CCCn1c(N)c(C(=O)CN(CC)Cc2ccc(Br)s2)c(=O)n(C)c1=O 20814897 OUDBHFRJRRBPJH-UHFFFAOYSA-N 443.367 2.068 0 40 IEAB CC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 22759810 FOYJWHCJSYVLMD-UHFFFAOYSA-N 437.484 2.196 0 40 IEAB Cc1cc(=O)c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)nn1-c1ccccc1 23562074 NDUPRUQYQJRJTM-OAQYLSRUSA-N 436.487 2.483 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)N[C@H](C)C(=O)NCc1ccc3c(c1)OCO3)CC2 25108669 ZILSOPSLWGRGEQ-CQSZACIVSA-N 441.484 2.205 0 40 IEAB biogenic C[C@]1(NC(=O)CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)CCS(=O)(=O)C1 26457802 IDPMCHMSMLTPQQ-QAPCUYQASA-N 448.372 2.090 0 40 IEAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cs1 32424185 SUJFFGFYIAADTQ-UHFFFAOYSA-N 433.493 2.267 0 40 IEAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc[nH]2)cc1S(=O)(=O)N1CCOCC1 40135418 DIUARAUDKCZJNH-LJQANCHMSA-N 432.546 2.120 0 40 IEAB O=C([C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1)N1CCOCC1 40149879 ZSRQYHPWVMRUQC-QGZVFWFLSA-N 439.331 2.328 0 40 IEAB COc1ccc(CNC(=O)NCCN2CCN(C(=O)c3cccs3)CC2)cc1OC 44226893 YLIGWSTYIOZELV-UHFFFAOYSA-N 432.546 2.023 0 40 IEAB CCCCn1c(N2CCN(Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952401 HSEFHJYBUAVTLN-UHFFFAOYSA-N 448.930 2.338 0 40 IEAB COc1ccc(CCNC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1OC 57290232 LPELFMBVSQSZBE-UHFFFAOYSA-N 444.507 2.351 0 40 IEAB CCNC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 57986857 HODBHWPSIXYFSL-OAHLLOKOSA-N 449.533 2.472 0 40 IEAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N[C@H](c2cc(Br)ccc2F)C1=O 72307065 SSXAMSAJOOGWCS-OAHLLOKOSA-N 438.257 2.170 0 40 IEAB CS(=O)(=O)c1ccc(NC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)cc1 77100479 SFXBVDUFCAXQLD-UHFFFAOYSA-N 427.364 2.217 0 40 IEAB CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 96003385 BFXLAVNAWYBKNJ-SCLBCKFNSA-N 436.350 2.331 0 40 IEAB COCCN1CC2(CCN(Cc3nccs3)CC2)COc2ccccc2S1(=O)=O 96037175 MJFRVBCSCFXDFX-UHFFFAOYSA-N 437.587 2.455 0 40 IEAB O=C(NCc1cccnc1-c1ccco1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225660672 QDGUDXMNAXIJJI-UHFFFAOYSA-N 427.482 2.293 0 40 IEAB COC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 225731931 ITBYFVKZQGPWRT-UHFFFAOYSA-N 445.423 2.185 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCC/C=C/C[C@@H]32)c1 257226629 FLLFXWMIIRAKRM-QLVMYSCWSA-N 430.530 2.101 0 40 IEAB CC1(C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)CCN(c2ncccn2)CC1 257278429 OCFXXFOGAHPMER-RUZDIDTESA-N 449.555 2.113 0 40 IEAB CCc1ccc(N(CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)S(C)(=O)=O)cc1 408618561 KZEPYIVWOQJMNI-UHFFFAOYSA-N 448.497 2.227 0 40 IEAB CCCc1csc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 540678314 GYBLOMBECDPXBK-UHFFFAOYSA-N 430.577 2.500 0 40 IEAB O=S(=O)(c1ccccc1)N1CC[C@@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888918238 GNKQHSZHVGYDJK-GFCCVEGCSA-N 427.408 2.233 0 40 IEAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)Nc5ccccc5F)C[C@H]4C3)ncnc21 1888930682 MEEGSSZCJHJCNX-GASCZTMLSA-N 425.468 2.212 0 40 IEAB COc1cc(/C=c2\sc3n(c2=O)CN(c2ccc(C)c(C)c2)CN=3)cc(OC)c1OC 2259428 VNZLBJSESCRWIQ-JAIQZWGSSA-N 439.537 2.436 0 40 IEAB COc1cc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)cc(OC)c1 9745939 MVVYTGLLHWUFBD-UHFFFAOYSA-N 446.573 2.432 0 40 IEAB COc1ncccc1[C@H](Cc1ccsc1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 12228893 RROZQKKHSCRZIY-HRAATJIYSA-N 428.514 2.272 0 40 IEAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)c2cccs2)CC1 12231128 UTVUBELLEWMZHF-UHFFFAOYSA-N 429.527 2.055 0 40 IEAB COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c3nonc23)CC1 12391745 JGNSPSHASHWVJW-UHFFFAOYSA-N 436.877 2.032 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cccs3)CC2)cc1OC 12984948 RDAUGUHZVZAWQX-UHFFFAOYSA-N 439.559 2.024 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N(C)C)c2)C[C@@H](C)O1 13145812 BUPCBRFEJCHJPT-GPMSIDNRSA-N 435.546 2.110 0 40 IEAB O=C(CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccc(F)c(F)c1 13149128 YYOHFQQNPCTFNT-UHFFFAOYSA-N 449.435 2.405 0 40 IEAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC[C@H]1CCCO1 13555222 OMSAQJHVOXKYFF-AQHYUZTGSA-N 445.585 2.471 0 40 IEAB Cc1ccccc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccc(Cl)cc1 13673541 IIAZBYJVXRLTEW-UHFFFAOYSA-N 435.933 2.144 0 40 IEAB COC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 14467658 PPJIEULTFHJJKH-UHFFFAOYSA-N 432.498 2.065 0 40 IEAB CC(C)S(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19451036 HYGXQTNMJCHLLJ-OAHLLOKOSA-N 436.603 2.307 0 40 IEAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(Cc2ncc[nH]2)CC1 19699366 ADQJWKZXJKSVFQ-UHFFFAOYSA-N 436.560 2.003 0 40 IEAB COc1ccc(C2(C(=O)N3CCC[C@H](c4ncc(C(N)=O)c(C)n4)C3)CCOCC2)cc1 19763719 QTADRLCYYIVOII-KRWDZBQOSA-N 438.528 2.347 0 40 IEAB COCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009403 ISRMIMQUOIGNRX-QGZVFWFLSA-N 440.949 2.391 0 40 IEAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)ccc21 20492924 IJZMIUMQCDCLAG-UHFFFAOYSA-N 442.541 2.445 0 40 IEAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 22511900 QUIUIOMPHBDMBV-QGZVFWFLSA-N 432.498 2.324 0 40 IEAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[nH]c(=O)c21 22610268 PLCGNNLFYPFBEA-CQSZACIVSA-N 425.489 2.469 0 40 IEAB CCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(OC)cc2OC)c(=O)c1=O 22724211 BFMGMBICHKDFNN-UHFFFAOYSA-N 425.441 2.054 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2=O)cc1OC 23056149 AOINJWWTYWOAQX-STQMWFEESA-N 425.441 2.415 0 40 IEAB O=C(Cn1nc2c(c1NC(=O)COc1ccccc1F)CSC2)NC[C@H]1CCCO1 23139113 AIJYHQILBOMQIC-CYBMUJFWSA-N 434.493 2.082 0 40 IEAB CC(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 34853919 MMWIBMQXWIHTOD-XNTDXEJSSA-N 427.526 2.446 0 40 IEAB CC1(C)[C@@H]2CC=C(COC[C@H](O)CN3CCN(S(=O)(=O)c4ccccc4)CC3)[C@H]1C2 34876835 VXYHEQRLQJPEOZ-KCZVDYSFSA-N 434.602 2.363 0 40 IEAB O=C(NCCc1ccccc1)[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 52518741 ZRSRNGTZYOXWMU-QFIPXVFZSA-N 425.554 2.168 0 40 IEAB CCn1c(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952331 JDTUGAIGYURWGS-UHFFFAOYSA-N 437.331 2.072 0 40 IEAB COc1cc(Br)c(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)cc1OC 60348762 OQPCVKHDZHHGDZ-LBPRGKRZSA-N 436.324 2.382 0 40 IEAB O=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ncccn2)CC1)N1CCOCC1 67288105 HYGNZVNZYFIZNU-UHFFFAOYSA-N 438.919 2.477 0 40 IEAB Cc1nc(NC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)sc1C 72326402 DFBOLYHQRHKRSF-ODXCJYRJSA-N 428.518 2.046 0 40 IEAB Cc1cnc(CNC(=O)c2cc(-c3cnc(N4CCOCC4)nc3)cn2CC2CC2)cn1 96266430 LHUMJUKMIBQMFP-UHFFFAOYSA-N 433.516 2.220 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2nc(-c3cccc(C)c3)no2)Oc2ccccc21 218795694 VMRLROKOJQUIEX-GOSISDBHSA-N 442.497 2.279 0 40 IEAB COc1ccccc1N(CCCC(=O)NC[C@H]1COc2ccccc2O1)S(C)(=O)=O 260905939 TZAHDRFLPABDRV-INIZCTEOSA-N 434.514 2.198 0 40 IEAB CS(=O)(=O)N[C@H]1CCN(C(=O)NC2CCCC2)C[C@@]12CCN(Cc1cccs1)C2 306134572 NSJIFSWPFGDBFM-ICSRJNTNSA-N 440.635 2.216 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 408591502 JFXYARCSOKGOMW-MOTZXUDYSA-N 431.533 2.350 0 40 IEAB COc1cccc(C(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)n1 585286659 PWWBECHDMWFKNO-OAQYLSRUSA-N 433.892 2.218 0 40 IEAB CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1 604381985 XULBFVALIRKFSW-QGZVFWFLSA-N 425.451 2.099 0 40 IEAB biogenic,in-vitro CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 608235813 AGMYRBUKEDJDKB-ORYQWCPZSA-N 437.544 2.030 0 40 IEAB CC(C)C(=O)N1CCCCCCCNCc2cc(C(=O)N3CCN(CCO)CC3)ccc21 643584153 VMMBGEBCJUNZBO-UHFFFAOYSA-N 444.620 2.479 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3Cc4ccccc4N(C)C3)n(C)c2)C1 1557779740 PZDAHZCPRCEUAO-WMZOPIPTSA-N 430.574 2.237 0 40 IEAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCCN(c2ccc3nncn3n2)CC1 1775967928 GKNFSOPTDVKOPR-UHFFFAOYSA-N 426.424 2.044 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccccc1 677631 CMJJHAMHHGQLBY-LVSKKATPSA-N 448.500 2.195 0 40 IEAB CCOc1ccc(OC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 2394590 YUEOONHLUJHTHY-GOSISDBHSA-N 431.466 2.090 0 40 IEAB CS(=O)(=O)Nc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)c1 4001662 FMQNSKIFSUTJII-KRWDZBQOSA-N 439.287 2.233 0 40 IEAB O=C(Nc1nnc(Cc2ccc(F)cc2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 8921096 ZFWLEXKJIRVGGE-UHFFFAOYSA-N 446.460 2.073 0 40 IEAB CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N2CCN(C(C)=O)CC2)c1 9283116 NCXCEGDKQVGLKH-UHFFFAOYSA-N 432.498 2.157 0 40 IEAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCCc3ccccc32)c1 9349338 LZPAAVYOSOAJRK-UHFFFAOYSA-N 429.542 2.367 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(CN2CCCC2=O)c1 9497918 RYVYHDZKMMHNPG-UHFFFAOYSA-N 443.525 2.082 0 40 IEAB O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9516258 XPSCMXACVGCNJD-KRWDZBQOSA-N 429.498 2.009 0 40 IEAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)cnc32)cc1C 9517820 WGYNAMAVKDNGFI-UHFFFAOYSA-N 432.440 2.004 0 40 IEAB COCCCNC(=O)NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1C 9544713 GXTCFNLOJWSYRU-UHFFFAOYSA-N 427.914 2.002 0 40 IEAB CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(Br)cc1 9827429 NYVHYMOEAMRANS-UHFFFAOYSA-N 427.324 2.005 0 40 IEAB COc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c(OC)c1OC 11450669 KSACGMWZQZDGCV-UHFFFAOYSA-N 440.543 2.357 0 40 IEAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1C(F)(F)F 12727826 XZTASNYWYLAJRS-ABAIWWIYSA-N 432.420 2.406 0 40 IEAB COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(OC)c(S(N)(=O)=O)c3)c(C)c2c1 12870490 XQOFWHNYOOBLMZ-UHFFFAOYSA-N 448.453 2.201 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 12997908 WCVQPFRZIFBXNE-NRFANRHFSA-N 429.542 2.021 0 40 IEAB COc1cc2c(c3oc(=O)c(CC(=O)N4CCN(C(C)=O)CC4)c(C)c13)CCC(C)(C)O2 13691155 SXKXHTUIOWDVMP-UHFFFAOYSA-N 442.512 2.447 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(=O)[nH]c1=O 14624748 YXQMPYFBZIWDHP-CYBMUJFWSA-N 438.912 2.019 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)c1 15780559 CIIRSBCMKCMOLP-UHFFFAOYSA-N 442.515 2.053 0 40 IEAB Cc1nn(-c2nc(C)c(C)c(=O)[nH]2)c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1 16980716 RRLAHZACLQRRGU-UHFFFAOYSA-N 434.544 2.471 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 18157985 LZJFLHJCCNRGMR-KRWDZBQOSA-N 427.530 2.430 0 40 IEAB O=C(c1ccco1)N1CCN([C@@H](c2ccc(F)cc2)c2nnnn2C[C@H]2CCCO2)CC1 19342093 HFJCZJPQWPINSL-QUCCMNQESA-N 440.479 2.132 0 40 IEAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)Cn2nnc3ccccc32)CCO1 19702960 GRTHGHAWNGOEFQ-INIZCTEOSA-N 436.497 2.001 0 40 IEAB COc1ccc(S(=O)(=O)[C@H]2CCO[C@H](CCNC(=O)c3cnc(C)nc3C)C2)cc1 19712040 HEYBGPZICQHBAX-MJGOQNOKSA-N 433.530 2.243 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c1 19819911 KTSXYIWUZSHRKG-CYBMUJFWSA-N 426.477 2.131 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1 23639819 QNSFNOKZKQWJQS-UHFFFAOYSA-N 431.920 2.431 0 40 IEAB COC(=O)C1(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CCCCC1 25169706 NPQZYIIDXNSODF-HOTGVXAUSA-N 438.546 2.090 0 40 IEAB O=C(CCNC(=O)[C@H]1CS[C@@H]2c3ccccc3C(=O)N12)Nc1ccc2c(c1)OCCO2 36569301 FDCKTKXILIEYON-OPAMFIHVSA-N 439.493 2.173 0 40 IEAB Cc1cc(C)cc(NC(=O)C2CCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)c1 40119527 HISRSGCCGPATJS-UHFFFAOYSA-N 436.578 2.088 0 40 IEAB CC(C)CCn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952511 ICNJSVWYPSAZLE-UHFFFAOYSA-N 444.967 2.445 0 40 IEAB Cc1ccc(Cl)cc1N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)CC1 57105696 HNWLVGGTLIZZEY-UHFFFAOYSA-N 444.967 2.363 0 40 IEAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CN(S(=O)(=O)c1ccc(F)cc1C)CC2 72372400 VUKPAYAUMNLWKU-SFHVURJKSA-N 447.536 2.396 0 40 IEAB O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1nnc(C2CCCCC2)s1 72401379 FXBIZQRWHVGRPY-UHFFFAOYSA-N 434.518 2.389 0 40 IEAB COc1ccc(C(=O)[C@](Br)(I)S(C)(=O)=O)cc1 96518537 HCQVZPBNAQXMPW-JTQLQIEISA-N 433.061 2.406 0 40 IEAB COC(=O)Cn1/c(=N\C(=O)Cc2ccc3c(c2)OCO3)sc2c(OC)ccc(OC)c21 101006759 DGGCDIJTVBLMAD-QURGRASLSA-N 444.465 2.292 0 40 IEAB CCOc1cccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 222703401 BTYDVKSIIHNUGT-HNNXBMFYSA-N 434.514 2.500 0 40 IEAB COc1ccc(Cl)cc1N(CC(=O)NC[C@H]1COc2ccccc2O1)S(C)(=O)=O 260895225 HGFGEEPOWGRBLG-AWEZNQCLSA-N 440.905 2.071 0 40 IEAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)sc2c1CCCC2 409286059 PMVOEUXVNBNOPP-FOHDFLBRSA-N 445.493 2.180 0 40 IEAB O=C(c1cccc(N2CCCC2=O)c1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 500620194 WUMZWHQNJHOUMZ-UHFFFAOYSA-N 427.526 2.350 0 40 IEAB Cn1c(C(=O)NCCN2C(=O)[C@@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)cc2ccccc21 524730105 WARFPDSHJCOUEX-SMTRDTIPSA-N 446.507 2.134 0 40 IEAB biogenic CCn1cc(S(=O)(=O)N2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)nc1C 1889241333 HZPGISBDWVZUKE-UHFFFAOYSA-N 447.536 2.470 0 40 IEAB O=C(Cn1nc2c(=O)n(-c3cccc(F)c3)ccn2c1=O)Nc1ccccc1C(F)(F)F 1889277383 CBNKAAKQXNKFPQ-UHFFFAOYSA-N 447.348 2.444 0 40 IEAB CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(C)c(C)c1)CN=3)C(=O)N2 2246644 COQLRISDQGUCKM-VXPUYCOJSA-N 434.521 2.131 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1C 3343490 GJMHZJSXBAUCEB-CYBMUJFWSA-N 425.441 2.402 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 6300141 JVXSYKAZGFKFMF-QGZVFWFLSA-N 425.464 2.133 0 40 IEAB O=C(NCc1cn2ccccc2n1)c1cc(S(=O)(=O)NC2CC2)ccc1Br 8778699 WMWYIFMPFHSAGW-UHFFFAOYSA-N 449.330 2.468 0 40 IEAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2cccc(F)c2)c2cc(Br)ccc21 9341198 LCSANSUKLZYQKH-INIZCTEOSA-N 434.265 2.428 0 40 IEAB CN(C(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)[C@@H]1CCS(=O)(=O)C1 9435451 MWHNAALZJOOLDY-MRXNPFEDSA-N 427.478 2.484 0 40 IEAB biogenic CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(-c4cccs4)n3n2)CC1 9599777 TYRAQJRXBUNXDL-UHFFFAOYSA-N 432.531 2.246 0 40 IEAB O=C([C@@H]1CN(C(=O)CCc2nc(-c3ccccc3)no2)c2ccccc2O1)N1CCOCC1 9745313 AXNOSWCRMREYKF-FQEVSTJZSA-N 448.479 2.322 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3nccs3)CC2)cc1 10408681 NQUJFNCWSDRYOO-UHFFFAOYSA-N 437.591 2.205 0 40 IEAB CCn1cc([C@H]2C[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)N(C)S(=O)(=O)N2)c(C)n1 12130299 URMGOTOBGGDDIV-CVEARBPZSA-N 429.905 2.222 0 40 IEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2)C1 12139986 CWYODFMHGDDBGF-ZIAGYGMSSA-N 441.509 2.489 0 40 IEAB Cc1ncccc1C(=O)N1CCC(c2nc(N3CCCC3)ncc2S(C)(=O)=O)CC1 12156439 PNXLHSXVIOMFCS-UHFFFAOYSA-N 429.546 2.204 0 40 IEAB CC(C)CN(C(=O)c1cn2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12520824 LRJFFIJALATWFM-UHFFFAOYSA-N 432.484 2.118 0 40 IEAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1 12539215 JCHFBDAOHXMWIG-UHFFFAOYSA-N 443.447 2.119 0 40 IEAB O=C(CNC(=O)c1ccccc1I)Nc1nnc(C2CC2)s1 12736060 VLHFONYBDLEWAF-UHFFFAOYSA-N 428.255 2.389 0 40 IEAB CCOc1ccc(NC(=O)CNC(=O)NCC(C)C)cc1S(=O)(=O)N(CC)CC 12930099 PCBAMAIAEPNBNK-UHFFFAOYSA-N 428.555 2.010 0 40 IEAB Cc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1S(=O)(=O)N1CCCCCC1 12986745 SZTQWNLERJHZLE-UHFFFAOYSA-N 436.559 2.374 0 40 IEAB CCCCc1cc(=O)oc2cc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 13557555 DSHNMKXDHNTMMK-UHFFFAOYSA-N 444.509 2.478 0 40 IEAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NC1CCCCC1 13682317 ZNMKYBJWNDVCOX-HNNXBMFYSA-N 441.981 2.306 0 40 IEAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1cnc2c(cnn2C(C)C)c1 14710722 YXBZHQNIHULSBV-UHFFFAOYSA-N 439.472 2.241 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2F)CC1 15525438 ALCIVUWIJZOGRR-UHFFFAOYSA-N 446.298 2.340 0 40 IEAB CCS(=O)(=O)c1ccccc1C(=O)N1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 19520491 MFUHNIQMBPEXLX-HNAYVOBHSA-N 442.541 2.009 0 40 IEAB CCc1noc(C)c1C(=O)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 19521272 SLLQENLXXXCFIH-IBGZPJMESA-N 437.500 2.179 0 40 IEAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 19694218 JRPGSGKHXALONW-INIZCTEOSA-N 436.491 2.462 0 40 IEAB Cc1nnc2n1C[C@@H](c1cccc(NC(=O)Cc3csc(NS(C)(=O)=O)n3)c1)CC2 19699097 BBYNIQQROCYKDH-AWEZNQCLSA-N 446.558 2.326 0 40 IEAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)Cc1cccc(OC)c1)C2 19708731 JLRVTSAVLFOMKB-SFHVURJKSA-N 437.544 2.380 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1OC 22579297 HPAHBODTPJSQTJ-FQEVSTJZSA-N 433.574 2.279 0 40 IEAB COc1ccc([C@@H](CNC(=O)c2cnn(-c3ccccc3)n2)N2CCOCC2)cc1OC 22702701 PRXSRRRUNKMLRQ-HXUWFJFHSA-N 437.500 2.088 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)CCC(=O)c2ccc(Br)cc2)CC1 31000837 YMDILWJMYHLHEW-UHFFFAOYSA-N 431.352 2.342 0 40 IEAB O=C1CN(c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cn2)CCN1 31719088 DPAJIVPAGQJDOH-MRXNPFEDSA-N 441.919 2.162 0 40 IEAB COc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3cn(C)c4ccccc34)CC2=O)cc1 32106012 CSONBRTZNOOOSG-MRXNPFEDSA-N 434.496 2.086 0 40 IEAB CSCC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N1C(=O)c2ccccc2C1=O 32995890 VESRQGHTXWZOLC-YOEHRIQHSA-N 426.494 2.361 0 40 IEAB CCOc1ccc2nc(SCC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)[nH]c2c1 36022810 JZFMMPYZWJNDSR-UHFFFAOYSA-N 433.578 2.113 0 40 IEAB COc1ccc(CCCNC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1OC 44851821 WFJGSXMYMYFBQT-HXUWFJFHSA-N 448.541 2.370 0 40 IEAB O=C(NCC1(c2cccs2)CCOCC1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 49521443 UONNGUUUXTXCNF-UHFFFAOYSA-N 439.537 2.387 0 40 IEAB O=C(Nc1ccc2[nH]c(CN3CCOCC3)nc2c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 69947807 UQPIENLXIKHRHM-GOSISDBHSA-N 433.512 2.382 0 40 IEAB COc1cccc(-c2cnc(N)nc2[C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)c1 72377254 VYWGPYGQHYMHGC-KRWDZBQOSA-N 428.518 2.384 0 40 IEAB CC[C@H](C)[C@@H](NCC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)C(N)=O 89942169 NKWYXQIFMWHFMV-MGPUTAFESA-N 438.594 2.068 0 40 IEAB CC(C)CN1CC2(CCN(C(=O)c3c[nH]cn3)CC2)COc2ccccc2S1(=O)=O 96263506 BRZKZXDGIUAASJ-UHFFFAOYSA-N 432.546 2.371 0 40 IEAB CC(=O)N1CCN(C(C)C)[C@@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn23)C1 96268087 SDWLLUNLYLDELM-HXUWFJFHSA-N 438.507 2.412 0 40 IEAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccccn2)cc1 97020569 FTTXNKAYNPQIQQ-HXUWFJFHSA-N 441.509 2.379 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 103067470 LBXPIUSKYDQJQT-ROUUACIJSA-N 438.484 2.146 0 40 IEAB COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(OC)c1OC 219975788 LIXCRTSKESRTMR-UHFFFAOYSA-N 434.514 2.427 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222414642 CWXHEDMZPFTJOC-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3[nH]c4c(C)cc(C)cc4c3C)CC[C@@H]2O)CC1 257212534 CDWPWPIUQRZRDY-SFTDATJTSA-N 426.561 2.223 0 40 IEAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(I)cc1 409127930 ICZNWSGUUFIFPQ-UHFFFAOYSA-N 434.230 2.347 0 40 IEAB O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)Cn2c(=O)nc(O)c3ccccc32)C1 563979942 IHYVWURJDMAPPV-LJQANCHMSA-N 448.523 2.232 0 40 IEAB CCOC(=O)c1oc2ccc(S(=O)(=O)NCc3nc(-c4cnn(C)c4)no3)cc2c1C 575414361 HLEGFORNXFZALL-UHFFFAOYSA-N 445.457 2.180 0 40 IEAB O=C(Cn1cnc(C2CC2)cc1=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575618298 UVGSITBEIDBPJE-SFHVURJKSA-N 435.933 2.163 0 40 IEAB O[C@@]1(CNCc2cccc(OCCN3CCCCC3)c2)CCCN(c2ncccn2)C1 585270791 BCDJJUQSDQTKNB-XMMPIXPASA-N 425.577 2.462 0 40 IEAB COCCn1c(C(=O)N2CC[C@@H](Oc3nccs3)C2)cc2c(=O)n3ccccc3nc21 585320070 HPKJUEHPWQJMMV-CQSZACIVSA-N 439.497 2.046 0 40 IEAB Cc1cc(=O)c(O)c(C2(CC(=O)NCCNC(=O)Nc3ccccc3)CCOCC2)o1 1547138848 HJUSSBFOERLAMV-UHFFFAOYSA-N 429.473 2.030 0 40 IEAB biogenic Cc1ccc2nc(COCC(=O)NC[C@]3(O)CCCN(c4ccc(F)cn4)C3)[nH]c2c1 2037880186 NYTJQIYHSKRYTO-JOCHJYFZSA-N 427.480 2.070 0 40 IEAB Cc1coc2cc3oc(=O)c(CCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(C)c3cc12 2128620 QHDQQLNDZGQXNY-NRFANRHFSA-N 442.468 2.430 0 40 IEAB biogenic COc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 3007705 IAEYEPJUUGCHTF-UHFFFAOYSA-N 435.480 2.008 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)CCCc2c[nH]c3ccccc23)c(=O)n(C)c1=O 8882851 MFXFWLFUVISXGU-UHFFFAOYSA-N 440.500 2.015 0 40 IEAB COc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)NC1CCCC1 9056229 OXERQEBWSMIVLT-UHFFFAOYSA-N 442.501 2.144 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 9165786 CLRMEAXFUKUOKA-OALUTQOASA-N 430.526 2.061 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCc1ccccn1 9220770 UYQMWUOZLRXLEZ-MRXNPFEDSA-N 426.336 2.463 0 40 IEAB CCn1c(CNC(=O)c2ccccc2OC)nnc1SCC(=O)Nc1nnc(C)s1 9328581 PDNRHBRFBALVJN-UHFFFAOYSA-N 447.546 2.127 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccccc4F)[C@H]3C2=O)cc1Cl 9674947 QFXURLKHFUUAAE-IAGOWNOFSA-N 431.811 2.420 0 40 IEAB COc1cc(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)ccc1N1CCCC1=O 11447199 PGWVGMZVTMMMPE-UHFFFAOYSA-N 431.514 2.166 0 40 IEAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NCc1ccccn1 12233395 YPKQZWYTLDVNJM-MRXNPFEDSA-N 436.472 2.470 0 40 IEAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 12765841 CTSASEUGDHUUOR-INIZCTEOSA-N 431.514 2.235 0 40 IEAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 13056984 DGXUBVUWLBSDKA-MRXNPFEDSA-N 448.545 2.435 0 40 IEAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCOCC2)C1 13082930 LPMXAIUIVUOVMN-IAGOWNOFSA-N 430.574 2.492 0 40 IEAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 13496000 JDYAUOCAFGPZME-FPOVZHCZSA-N 440.548 2.338 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1cccc(Cl)c1 13640120 KOXGTAGMXWZOKV-RTBURBONSA-N 441.919 2.263 0 40 IEAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)N1CCN(CC(=O)N2CCCC2)CC1 14142370 JSTGSVSEYWIJGA-QHCPKHFHSA-N 444.576 2.333 0 40 IEAB Cn1ncc2c(N3CCN(C(=O)c4nn(-c5ccccc5)c5c4CCC5)CC3)ncnc21 14853801 GDMSXRQLJYYYQC-UHFFFAOYSA-N 428.500 2.000 0 40 IEAB COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCNC(C)=O)c1 15527380 JDWDDLZRZMVJNC-UHFFFAOYSA-N 439.921 2.040 0 40 IEAB CCOC(=O)C1=C(COC(=O)COc2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccco1 18269663 VTIXWNPVPZLZIU-LJQANCHMSA-N 430.413 2.082 0 40 IEAB O=C(C1CC1)N1CCc2nc([C@@H]3CCCCN3C(=O)Cc3cccs3)[nH]c(=O)c2C1 19343225 VCGCUPJOSLLCTE-SFHVURJKSA-N 426.542 2.422 0 40 IEAB CNC(=O)c1cnc([C@@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2)nc1C 19763571 SBXCRPJQDASKHD-QGZVFWFLSA-N 444.557 2.105 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O 22394234 AYJXTVGFEHTAKV-UHFFFAOYSA-N 447.557 2.393 0 40 IEAB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)c(OC)c1 23106943 HPGUYGUJRNOXHS-FQEVSTJZSA-N 427.501 2.140 0 40 IEAB Cc1nn(Cc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c(C)c1Br 27970062 UBEROZVMAKZALC-OAHLLOKOSA-N 426.336 2.228 0 40 IEAB CS(=O)(=O)NCc1nnc(SCc2ccc(C(=O)O)cc2)n1-c1ccc(F)cc1 35289739 FVMHLZNIVIRMDA-UHFFFAOYSA-N 436.490 2.446 0 40 IEAB COCCNC(=O)Cn1nc(-c2ccc(F)cc2)c2sc(N3CCCC3)nc2c1=O 35590673 MACFNSIGKPPUEI-UHFFFAOYSA-N 431.493 2.022 0 40 IEAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1Cl)C(=O)OC 36575889 XZFWKSYXCBREDM-CRAIPNDOSA-N 434.880 2.215 0 40 IEAB OCCN1CCN(c2nc(NCc3ccco3)c3cnn(-c4ccc(F)cc4)c3n2)CC1 40288591 XMCPJZPLCVMNMD-UHFFFAOYSA-N 437.479 2.274 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C(=O)NCC2CCC3(CC2)OCCO3)C(C)C)cc1 72310392 SCRMPDAAWMUQTG-IBGZPJMESA-N 440.562 2.048 0 40 IEAB COCCn1nc([C@@H]2CCCN(C(=O)c3ccc(NC(C)=O)cc3)C2)n(C2CC2)c1=O 77150158 AJKQWJUBPUEXPG-QGZVFWFLSA-N 427.505 2.004 0 40 IEAB Cc1ccn2ncc(C(=O)N[C@@H](CC(C)C)CN(C)C(=O)c3cnn4ccc(C)nc34)c2n1 95976612 UHXIVFCKYQGSHU-KRWDZBQOSA-N 448.531 2.306 0 40 IEAB C[C@H](NC(=O)/C=C/c1sc2ccccc2c1Cl)C(=O)N1CCS(=O)(=O)CC1 97550725 VZZILIDPKXQUPI-SYTKJHMZSA-N 426.947 2.330 0 40 IEAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)C[C@@H](C)O1 106756122 QTJBCIXQFLMWNQ-LJCCNALRSA-N 435.590 2.111 0 40 IEAB COc1cc(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)ccc1OC(C)C 219665549 JLGPQWNQRTUGDJ-UHFFFAOYSA-N 432.498 2.333 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)CC1 220297120 ABFAQDJFAKBAEG-INIZCTEOSA-N 435.521 2.338 0 40 IEAB COc1ccccc1N(CC(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O 223740360 NXTXMSPJGQCXCM-UHFFFAOYSA-N 432.542 2.326 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2=O)cc1)Cc1ccccc1F 223842495 YVTLMXDRLKJTFO-UHFFFAOYSA-N 447.532 2.026 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c1 408651814 BGNYCBLBCSPNEM-CQSZACIVSA-N 428.441 2.247 0 40 IEAB COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 409009504 AOGZDTDTZURUPT-ATTDUZETSA-N 439.424 2.079 0 40 IEAB CCc1ncnc(O[C@@H]2CCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)C2)c1F 575608461 YHMLTMNJCHQKMY-CQSZACIVSA-N 449.433 2.378 0 40 IEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 620672191 OOIXFOWTOVFVHY-MAUKXSAKSA-N 428.986 2.280 0 40 IEAB O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)[C@H]1CCCN1Cc1ccccn1 673653413 BQIKGVCZUBZMKP-OAQYLSRUSA-N 434.544 2.138 0 40 IEAB Cc1cc(C)n([C@@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccsc2)n1 825148904 IRXSQVWSDLUWJF-KRWDZBQOSA-N 426.498 2.312 0 40 IEAB COCc1ccc(C(=O)NC[C@@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)cc1 1614940863 RLHLLAMQFDXITO-FQEVSTJZSA-N 448.523 2.368 0 40 IEAB CCn1cc(S(=O)(=O)N2CCC[C@H](COc3ncc(Br)cn3)C2)nc1C 1775996320 WWISXXVIXMDGON-ZDUSSCGKSA-N 444.355 2.244 0 40 IEAB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NCc3ccc4c(c3)OCO4)ccc12 2658981 YHXMQLPCYDAYNK-UHFFFAOYSA-N 425.393 2.069 0 40 IEAB COc1cc(OC)cc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)c1 2952568 PFYQPMCXZMISKU-UHFFFAOYSA-N 435.436 2.079 0 40 IEAB Nc1ccc2c(c1)OCCOCCOc1cc(N)ccc1OCCOCCOCCO2 6445399 DCHGBGAZBICZRE-UHFFFAOYSA-N 434.489 2.130 0 40 IEAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1-n1cncn1)c1ccc(Cl)cc1 9138575 OXFHADLVHFGPPX-UHFFFAOYSA-N 447.904 2.194 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCCCc2ccccc2)cc1 9491034 DTLPCCKUYHPFDA-UHFFFAOYSA-N 431.558 2.196 0 40 IEAB CC(=O)Nc1nc(SCC(=O)N2CCCCC2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 9518259 JKKGZKSGDLCLPD-UHFFFAOYSA-N 447.492 2.224 0 40 IEAB O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(c2ccc(F)cc2)CC1 9568782 PPBJOGOEIHYITM-KRWDZBQOSA-N 440.475 2.234 0 40 IEAB Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3CCCc2ccccc2)n(C)c1=O 9707559 GKRUQSHIWGQTRL-UHFFFAOYSA-N 446.486 2.430 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(OC(F)F)cc1 9989642 MFQMFUVYNPBEPM-UHFFFAOYSA-N 432.470 2.300 0 40 IEAB CCOc1ccc([C@H]2NC(=O)NC(CS(=O)(=O)c3ccccc3)=C2C(=O)OC)cc1 10273545 YKHPZHFRYHMGFH-LJQANCHMSA-N 430.482 2.340 0 40 IEAB CCn1nc(CC(=O)N2CCC(n3nnc(-c4ccccc4)n3)CC2)c2ccccc2c1=O 12143204 RNRULXWJBMEQJF-UHFFFAOYSA-N 443.511 2.476 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 12790859 IDYLJZFJJYIHGH-UHFFFAOYSA-N 444.557 2.002 0 40 IEAB O=C(NCCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccco1 12800389 OAGMQLKQOWAHKA-UHFFFAOYSA-N 431.436 2.035 0 40 IEAB O=C(C1=COCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 12863479 YNERQQFDFUSAOU-UHFFFAOYSA-N 440.827 2.080 0 40 IEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 12936154 DVSKPUZKUBJWQU-GOSISDBHSA-N 445.479 2.395 0 40 IEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 12972725 XHFQPCLHSRZYAP-XJKSGUPXSA-N 435.933 2.213 0 40 IEAB O=C(NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1)c1ccccc1 13565372 RRQXBBIMLMVVSU-UHFFFAOYSA-N 443.569 2.354 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 13689987 IWTKAQNFHQMEFA-UHFFFAOYSA-N 442.903 2.495 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c1 14933804 UXTDKEKYEQEHJS-UHFFFAOYSA-N 446.504 2.365 0 40 IEAB COc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1 16154233 IBUMWLGYSGGOQX-UHFFFAOYSA-N 440.543 2.134 0 40 IEAB CCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2cccc(N3CCCCS3(=O)=O)c2)n1 19522547 TUTWYXQVEBKFEI-GOSISDBHSA-N 430.530 2.240 0 40 IEAB COc1ccc(C(=O)N[C@@H](C)CNc2nc3c(c(=O)[nH]2)CCCC3)cc1Cn1cccn1 19574162 HSEPQQPLEUTXTJ-HNNXBMFYSA-N 436.516 2.133 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O 19699926 NQSTWVMKNGPMML-LJQANCHMSA-N 430.524 2.156 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O 19700033 DMUPZVTTZRLUJW-HXUWFJFHSA-N 426.561 2.407 0 40 IEAB Cc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(Cl)cc3)CC2)cc1 19831127 QDBAWVKMTBSGBZ-UHFFFAOYSA-N 428.920 2.161 0 40 IEAB COc1ccc(CN(C)C(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1OC 20049716 BCNAOPNOGNBDPZ-UHFFFAOYSA-N 439.509 2.114 0 40 IEAB CCN(c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1)S(C)(=O)=O 23227875 VYOXCJGILGAPOX-UHFFFAOYSA-N 431.558 2.196 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 23751534 WPRUPQPGEPRAPM-PSLXWICFSA-N 447.532 2.465 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@@H](C)C(=O)Nc3cc(C)no3)n2c1 25002959 DGJJQIADNVETHN-LBPRGKRZSA-N 438.535 2.176 0 40 IEAB CCCCn1c(N)c(N(CC)C(=O)c2ccc(Br)cc2F)c(=O)[nH]c1=O 32768274 NSVGAHVHJYYONP-UHFFFAOYSA-N 427.274 2.487 0 40 IEAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2ccccc2-n2cccn2)CC1 40141927 GFNCQEQNSGKHOY-UHFFFAOYSA-N 431.562 2.139 0 40 IEAB COc1ccc([C@@H](CNC(=O)c2ccnc(-n3ccnc3)c2)N2CCOCC2)cc1OC 40153059 BJRGUKZXHWKWKG-LJQANCHMSA-N 437.500 2.088 0 40 IEAB CCSc1nnc(NC(=O)CN2CCN(Cc3nc4ccccc4n3C)CC2)s1 49372148 NYFVCOQPADUNKM-UHFFFAOYSA-N 431.591 2.293 0 40 IEAB Cc1occc1C(=O)N1CCN(Cn2nc3n(C)c(=O)c4ccccc4n3c2=S)CC1 57991355 PJWNQWWJFYYFOM-UHFFFAOYSA-N 438.513 2.034 0 40 IEAB COc1cc(C(=O)N2CCC[C@H](c3nn(CCNC(=O)C4CC4)c4ncccc34)C2)ccn1 72344706 YMKHBFSPTYJTCS-SFHVURJKSA-N 448.527 2.381 0 40 IEAB CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 101261734 YMLJWSIWMJJMGD-BMLQCNMVSA-N 436.555 2.165 0 40 IEAB C[C@@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cc1 108964140 FJGDFPLYYCISQK-BEFAXECRSA-N 445.541 2.120 0 40 IEAB Cc1c(C(=O)NCCn2nc(-c3cccnc3)n(C3CC3)c2=O)cnn1-c1ccccc1 206636780 PNPOFNJQRXOKKL-UHFFFAOYSA-N 429.484 2.366 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 247748181 SYAJQMSNCWYZCA-BCXSRQRTSA-N 445.523 2.276 0 40 IEAB Cc1nc(C)n(CC(=O)N2CCO[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)n1 257275289 NORJNEUTZMMSCR-HXUWFJFHSA-N 444.923 2.493 0 40 IEAB O=C(NCCN1CCOCC1)c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306131843 KQSNCQKVSMOFSD-NRFANRHFSA-N 447.539 2.374 0 40 IEAB Cc1ccccc1CC(=O)N1C[C@H]2c3nc(=O)c(C(=O)NC4CCCCC4)cn3C[C@H]2C1 306132738 LQSCAHFWYQZBJF-UYAOXDASSA-N 434.540 2.413 0 40 IEAB COC(=O)COc1ccccc1/C=C1\SC(=O)N(CC(=O)NCc2ccco2)C1=O 409211829 OSVNLXMTFFRTIZ-SXGWCWSVSA-N 430.438 2.184 0 40 IEAB CC(=O)N1CCN(Cc2ccc(OCCN(C)C)cc2)C[C@](O)(COc2ccccc2)C1 585270821 DFICNJNXGARAMF-RUZDIDTESA-N 441.572 2.101 0 40 IEAB O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCC(c3ccccc3)CC2)C1 643550681 SCHGIIFEIUJISB-XZOQPEGZSA-N 430.570 2.053 0 40 IEAB COC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 2240661 MFHQYJJVWCIQEQ-UHFFFAOYSA-N 425.459 2.089 0 40 IEAB C[C@@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)Nc1ncc(Cl)cc1Cl 8755976 STIUFXKINYWTDP-JLLWLGSASA-N 428.272 2.434 0 40 IEAB COc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NC[C@@H]1CCCO1)CCCS3 9186403 RSPPUDUBXRDABA-AWEZNQCLSA-N 428.514 2.151 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)C[C@@H](C)O1 9282887 BUPCBRFEJCHJPT-FCEWJHQRSA-N 435.546 2.110 0 40 IEAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)NCc2ccc(F)cc2)CS(=O)(=O)C3)cc1 10250489 CVZPCIICSJVWAN-UHFFFAOYSA-N 442.472 2.003 0 40 IEAB NC(=O)c1ccc(-c2nnn(CC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)n2)cc1 11553169 RYEDMJBRLRNQQZ-MRXNPFEDSA-N 447.480 2.471 0 40 IEAB CCN(CC)C(=O)Cn1nc2n(CC(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc3n2c1=O 12117648 ORJKKHNEOQCLCE-DLBZAZTESA-N 440.548 2.014 0 40 IEAB O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)NC[C@@H]1CCCO1 12140776 PKYCHLYSZKRGTG-INIZCTEOSA-N 437.427 2.333 0 40 IEAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(C(F)(F)F)cc1 12759514 IPQPSPKSNLPJTB-GFCCVEGCSA-N 425.432 2.491 0 40 IEAB COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 13567082 LHZTZWYORBGHTP-UHFFFAOYSA-N 434.514 2.350 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nnc3n(C)c(=O)c4ccccc4n23)c1C 16322164 BOXFICLOUGQGKQ-UHFFFAOYSA-N 425.470 2.288 0 40 IEAB CCNc1nc(NCC)n2c(=S)n(CC(=O)Nc3ccc(OC)c(OC)c3)nc2n1 16778203 RDSHCCLJTLATFD-UHFFFAOYSA-N 432.510 2.175 0 40 IEAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)COc3ccccc3F)[nH]c2=O)C1 19499111 IWONQBUKPZIRDW-SFHVURJKSA-N 442.491 2.336 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(OC)c1OC 20761972 SBXSDULAFLHQOV-MAUKXSAKSA-N 448.545 2.379 0 40 IEAB biogenic COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2nc(C)cs2)c1 21022403 OGFWKNHNPOMBAW-UHFFFAOYSA-N 448.364 2.069 0 40 IEAB COCCn1c(C)cc(O)c([C@@H](c2ccncc2)N2CCN(c3ccccn3)CC2)c1=O 22697918 ZEIURXWARNEWKV-HSZRJFAPSA-N 435.528 2.210 0 40 IEAB Cc1ccc([C@H](CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)N2CCN(C)CC2)cc1 22796695 LCKFPPIADBEYKU-DEOSSOPVSA-N 447.583 2.240 0 40 IEAB O=C(CN1CCN(CCO)CC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 22939048 HCVJMMXFFVMNSK-UHFFFAOYSA-N 428.558 2.038 0 40 IEAB C[C@H](Sc1nnc(Cc2ccc(F)cc2)n1N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 27923161 HXHGETGVQIMASB-JTQLQIEISA-N 427.465 2.011 0 40 IEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)no1 32776096 ADZQNIFFIIMKEJ-SNVBAGLBSA-N 435.380 2.008 0 40 IEAB CS(=O)(=O)N1CCC(NC(=O)COc2ccc(Br)cc2Cl)CC1 36396990 AORAWBNSQDXOTM-UHFFFAOYSA-N 425.732 2.022 0 40 IEAB C[C@@H](NC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1c[nH]c2ccccc12 36601454 QLWMWLPHOOLHGZ-OAHLLOKOSA-N 445.516 2.334 0 40 IEAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC(=O)NCC(F)(F)F)c2)cc1 40146255 RQSPHBFIXHVMSF-UHFFFAOYSA-N 443.447 2.228 0 40 IEAB O=C([C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1)N1CCOCC1 40149878 ZSRQYHPWVMRUQC-KRWDZBQOSA-N 439.331 2.328 0 40 IEAB COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc4c(c3)OCCO4)n2)CC1 54146985 GEALOLVCYMGURG-UHFFFAOYSA-N 449.515 2.299 0 40 IEAB CCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1=O 57485859 CCBNZTMBAYTOJU-UHFFFAOYSA-N 430.505 2.123 0 40 IEAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 58014350 OOHUTMWEUTWFHA-HXUWFJFHSA-N 428.512 2.156 0 40 IEAB CN1CCC(N(C)C[C@@H](NC(=O)CNC(=O)Cc2cccc(F)c2)c2ccccc2)CC1 58196275 BAHNYQQEUWFJRR-HSZRJFAPSA-N 440.563 2.368 0 40 IEAB O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)Nc1nccs1 61720013 KWOKPMBVNORILG-UHFFFAOYSA-N 430.921 2.319 0 40 IEAB CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3ccccc3Cl)NC(=O)N2)C1 67285804 URSVRGCLIBNMAJ-UGSOOPFHSA-N 435.908 2.396 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)cc1 67316837 SXUDNKVOVHONBW-UHFFFAOYSA-N 439.443 2.318 0 40 IEAB CCn1cc(C(=O)NCC2CC2)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 67338578 OFTYDOBIBYBGHQ-UHFFFAOYSA-N 445.589 2.171 0 40 IEAB Cc1cc(C)n(-c2ccc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cn2)n1 69454541 DUJKOSBALOROHE-ZWOKBUDYSA-N 428.562 2.226 0 40 IEAB COCCOc1ccc(NC(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)cn1 72276862 PSLJXJYBFGVZPZ-UHFFFAOYSA-N 447.580 2.343 0 40 IEAB CCN(CCNC(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)c1ccccc1C 72301516 FMAQXVMNUZPJEF-JOCHJYFZSA-N 449.555 2.075 0 40 IEAB COc1ccccc1-n1nnc(C(=O)N2CCN(c3ncccn3)CC2)c1-c1ccccn1 77199920 JVHKFPFMWOBWLI-UHFFFAOYSA-N 442.483 2.090 0 40 IEAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 95350630 PGSAADJPEDFCDA-RUZDIDTESA-N 448.523 2.274 0 40 IEAB CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)c1nnc2n1CCC2 95960532 RBAKEKQHBJIWQN-QGZVFWFLSA-N 434.504 2.339 0 40 IEAB O=C(NCCc1ccccc1)N1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 96145073 OGAJOLCVEPDZBY-UHFFFAOYSA-N 429.542 2.392 0 40 IEAB Cc1ccc2c(c1)O[C@@H](C(=O)NCC1(c3ccccc3)CCOCC1)CN2S(C)(=O)=O 224560664 OVILPWLVEYHQDD-OAQYLSRUSA-N 444.553 2.387 0 40 IEAB Cc1cccc(N([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 224577628 WGBUGNDCSCYARI-IBGZPJMESA-N 445.585 2.298 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)CN(Cc3ccccc3)S(C)(=O)=O)n2)cc1 224946614 JAOQNCYCLUZIAO-UHFFFAOYSA-N 444.513 2.165 0 40 IEAB COc1cccc(OCCNC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)c1 225153901 UKGGVHOHLZNVJW-UHFFFAOYSA-N 436.530 2.082 0 40 IEAB C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(C1CC1)[C@H]3C(=O)NC1CCCC1)[C@@H]2C(=O)NC1CCCCC1 245230087 LIOIFRWOLUNKAC-PDULFCFVSA-N 441.572 2.197 0 40 IEAB Cc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(C1CC1)[C@H]3C(=O)NC1CCCC1 245230307 OYERLAYDOBTEPS-RPMNLZPZSA-N 435.524 2.305 0 40 IEAB O=C1CCCN1CC(=O)N1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257218732 DEGHURKWVPKHFZ-IBGZPJMESA-N 432.908 2.207 0 40 IEAB Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c1 408614660 GAJJFJBRURPEGV-QZTJIDSGSA-N 439.512 2.171 0 40 IEAB COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604404037 IPBYUCOBJAUQQC-QGZVFWFLSA-N 439.468 2.294 0 40 IEAB biogenic COc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 3289818 JIZYQJMSFWIUOU-AWEZNQCLSA-N 428.441 2.207 0 40 IEAB COc1cc(NC(=O)COC(=O)CCc2nc(=O)c3ccccc3n2C)cc(OC)c1 3404445 SMLRXYZIGBGAOP-UHFFFAOYSA-N 425.441 2.065 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cc(OC)ccc3OC)o2)CC1 4143122 YQHGGHGIVDWCTA-UHFFFAOYSA-N 436.490 2.147 0 40 IEAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 4410027 MTXGZVVJWPJPOQ-JFHULYJISA-N 443.588 2.443 0 40 IEAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O 6190730 BITNSDDIECHEHD-SJLPKXTDSA-N 435.521 2.029 0 40 IEAB COC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccc(F)cc2)c1=O)COC(C)(C)C3 9133914 YQVSCQKGLUUEPI-UHFFFAOYSA-N 432.473 2.436 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C[C@@H](C)O1 9509532 OYDROWPRTKTCBH-HUUCEWRRSA-N 432.498 2.143 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2nn(C)c(=O)c3ccccc23)c1 9632849 SJNZUVYPWZXSMV-UHFFFAOYSA-N 444.513 2.225 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)ccc21 9646530 XMXJHFIEUSEIDA-LHSJRXKWSA-N 433.530 2.082 0 40 IEAB CCn1c(=O)c2c(nc3n2CC(C)=NN3Cc2ccc(Br)cc2)n(C)c1=O 10329044 NGXCQDCXVWXZAS-UHFFFAOYSA-N 431.294 2.075 0 40 IEAB Cc1c(NC(=O)CCSc2nnnn2Cc2ccco2)c(=O)n(-c2ccccc2)n1C 11364097 ZRTJVDUNJNHXCX-UHFFFAOYSA-N 439.501 2.233 0 40 IEAB O=S(=O)(CCc1ccccc1)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 11694552 UXHMXSXNWNVHJR-UHFFFAOYSA-N 441.488 2.471 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1ccccc1Cl 12422824 KXVKVSHJRQSNJO-UHFFFAOYSA-N 435.977 2.260 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O 12553072 GUCHTGOIAKFQGB-DEOSSOPVSA-N 436.512 2.405 0 40 IEAB COc1ccc(C(=O)NCC(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)N1CCCC1 12808894 VXRHBLJNEAMRDA-UHFFFAOYSA-N 445.541 2.465 0 40 IEAB CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 13040015 CYILBASDQUOGJL-UHFFFAOYSA-N 442.463 2.313 0 40 IEAB CCN1CCN(C(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)CC1 14412860 RNQLDKOOBXDQDR-UHFFFAOYSA-N 431.558 2.363 0 40 IEAB Cc1ccccc1NC(=O)CSc1nc(-c2ccco2)nc2c1c(=O)n(C)c(=O)n2C 17135949 ZCPGJNPPYBPVEB-UHFFFAOYSA-N 437.481 2.326 0 40 IEAB COc1ccc2c(CC(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)coc2c1 18151354 NVRPIOIRTSUOHN-UHFFFAOYSA-N 444.509 2.321 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)c3cc4c(C)cccc4[nH]3)C1)C2=O 19700788 PIJYSJDXJMQSRD-QGZVFWFLSA-N 437.544 2.487 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1N1CCc2ccccc2C1 19821052 XYVHLQSJMNANEA-RXVVDRJESA-N 435.567 2.001 0 40 IEAB COc1ccc(-c2noc(CN3CCN(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)CC3)n2)cc1 22935596 GXFYUOGJBQBMQU-HDICACEKSA-N 427.549 2.367 0 40 IEAB Cc1cc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc(S(=O)(=O)N(C)C)c1C 23054605 OZOOVFXPSVMJRF-UHFFFAOYSA-N 443.525 2.455 0 40 IEAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 23057161 LKOQAQZYQYADPX-QGZVFWFLSA-N 448.566 2.307 0 40 IEAB COc1cccc(CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)c1 32926710 JOMHDGCNSCZTOJ-LJQANCHMSA-N 434.514 2.041 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccs3)CC2)cc1 38731325 UPINFJWYUWWRLI-QZTJIDSGSA-N 447.582 2.087 0 40 IEAB COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(-c2cccc(F)c2)n1N 40161752 FTBQESMXGSSKAF-UHFFFAOYSA-N 437.478 2.307 0 40 IEAB O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)n3ccnc3)cc2)cc1)n1ccnc1 41096922 QTZPXDRZOMPAGU-UHFFFAOYSA-N 430.467 2.346 0 40 IEAB Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(Cc2cccs2)CC1)C(F)(F)F 59300777 KKMNSMOFZKGBHA-KRWDZBQOSA-N 431.484 2.149 0 40 IEAB COCCOc1ccc(NC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cn1 69946238 AWDPDEZLMMJJDS-OAHLLOKOSA-N 441.488 2.334 0 40 IEAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@@H]1CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C1)O2 72396480 YAKQWPDKQFVIBC-UTKZUKDTSA-N 434.558 2.239 0 40 IEAB O=C(NCCCOC[C@@H]1CCCO1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 95406693 QYLZIXGYNBAVQD-SFHVURJKSA-N 448.541 2.186 0 40 IEAB O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 100432015 KVXGJFXNCYBZOS-SDYYUIKVSA-N 449.551 2.065 0 40 IEAB O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO 107591635 NPHAJZFYFPBXQX-IRLDBZIGSA-N 430.593 2.398 0 40 IEAB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(=O)OC)cc3)CC2=O)cc1 138957402 OICGQIUGCKDGNT-INIZCTEOSA-N 440.452 2.407 0 40 IEAB Cc1nc(Cc2c(C)[nH]c3ccccc23)cc(N2CCN(S(=O)(=O)N(C)C)CC2)n1 141598894 NDPCKWVCOXMOLK-UHFFFAOYSA-N 428.562 2.094 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 216350099 QWKLEOZMTAMAAA-UHFFFAOYSA-N 432.498 2.278 0 40 IEAB CCc1ccccc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC)S(C)(=O)=O 222412572 YPMAITHBLWIHII-SFHVURJKSA-N 445.585 2.487 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)cc1 224424665 MISISPBRIOOIDN-UHFFFAOYSA-N 429.542 2.153 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)cc3)ccc21 225126088 HZRKDFNACLYITG-UHFFFAOYSA-N 435.527 2.351 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1 225378103 OXYAVTXDLZAYMP-KRWDZBQOSA-N 447.557 2.207 0 40 IEAB COCCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2F)cn1 225922663 QWNHIPMHIMVSNT-UHFFFAOYSA-N 425.482 2.083 0 40 IEAB O=C(c1ccccc1CN1CCOCC1)N1CCOC[C@@H](Cc2cccn3nccc23)C1 257203983 ASMSLCCWAHHBIO-FQEVSTJZSA-N 434.540 2.498 0 40 IEAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccccc1Cn1cccn1 257219451 DGVJCTTXVMVKQJ-HSZRJFAPSA-N 431.540 2.047 0 40 IEAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc(OCCCN)cc3)C2)c2cnccc2n1 257305291 SPHGDHHNYSYDMI-VWLOTQADSA-N 449.555 2.379 0 40 IEAB Cn1c(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)cc(=O)n(C)c1=O 257308021 TVCNWFGOIQKNGJ-OAHLLOKOSA-N 442.903 2.336 0 40 IEAB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1ccccc1C(F)(F)F 408651811 FEVMPRVZWQZJAR-CQSZACIVSA-N 449.385 2.381 0 40 IEAB O=C(N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 511823758 LTPFXRNRHWSRAX-OAHLLOKOSA-N 432.402 2.240 0 40 IEAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 608235812 AGMYRBUKEDJDKB-MAODMQOUSA-N 437.544 2.030 0 40 IEAB Cc1cc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@@H](C)NC(=O)C2)on1 643559402 VBIHPKUNEKAROY-CQSZACIVSA-N 448.907 2.186 0 40 IEAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3[nH]c4c(C)cc(C)cc4c3C)[C@H]2O)CC1 2037895377 JPNNIQNOGJFGEH-TXTKFYIRSA-N 426.561 2.269 0 40 IEAB COc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 2642683 KHLABEPHVPBUPM-RMKNXTFCSA-N 444.509 2.013 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H](c1ccco1)N(C)C 3344775 WGYYMJYMPHFQOW-HZPDHXFCSA-N 443.566 2.238 0 40 IEAB Cc1cc(NC(=O)C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039829 AIGHUDDSVIQSSC-GXTWGEPZSA-N 426.521 2.022 0 40 IEAB CCN1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(OC)cc2)C(=O)C1=O 9599713 XPFKSIDZRXAVBS-SFHVURJKSA-N 440.525 2.125 0 40 IEAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1 11905009 FZZNNGVGAORFCW-LLVKDONJSA-N 444.918 2.462 0 40 IEAB Cc1ccc2oc(C(=O)N3CCC[C@@H](c4nnsc4S(C)(=O)=O)C3)cc(=O)c2c1 12251751 RTDREKNETRVLBR-GFCCVEGCSA-N 433.511 2.376 0 40 IEAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)N[C@@H]1CCCc2ccccc21 12524882 QAKIHRLEDBPQTP-OFNKIYASSA-N 435.524 2.307 0 40 IEAB COc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)cc1S(=O)(=O)N1CCOCC1 12687141 TWCRTPGQTUGGCR-GOSISDBHSA-N 434.539 2.372 0 40 IEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(OC)c(OC)c2)C1=O 12810528 JRLPSYBLSPZHGU-QFIPXVFZSA-N 429.448 2.316 0 40 IEAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NC(c3ccccc3)c3ccccc3)c2)CCN1 12859340 JNAAUOIWBKNJSW-UHFFFAOYSA-N 449.532 2.327 0 40 IEAB CC(CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)(c1ccccc1)c1ccccc1 13008677 QDCCPWDMYPTEDI-NQIIRXRSSA-N 440.565 2.144 0 40 IEAB CC[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccc(C)cc1)S(C)(=O)=O 13713813 SCPKQDPHELIGLV-QGZVFWFLSA-N 430.530 2.369 0 40 IEAB COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3cccc(O)c3)n2C)cc1 13956052 SQNPYQQXSTWBDD-UHFFFAOYSA-N 441.513 2.233 0 40 IEAB Cc1c(NC(=O)CSc2nnc(-c3cccnc3)n2C)c(=O)n(-c2ccccc2)n1C 14109974 KNYYMBQBCFFEGX-UHFFFAOYSA-N 435.513 2.406 0 40 IEAB CCNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1 17516108 LRNWCGKEVJYJEJ-UHFFFAOYSA-N 426.608 2.394 0 40 IEAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19375995 VFSZAVCQJZKWNZ-MRXNPFEDSA-N 445.523 2.105 0 40 IEAB CCN(CC)c1ncc2c(O)nc(C3CCN(CC(=O)Nc4cnn(C)c4)CC3)cc2n1 19526555 XWTXCGAZROEDKZ-UHFFFAOYSA-N 438.536 2.128 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19692472 PUXYCUDGTFSIRF-GOSISDBHSA-N 437.541 2.309 0 40 IEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 21834256 XOTDPQVZEWJYPP-GJZGRUSLSA-N 428.514 2.247 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2CCc2cccs2)n1 22379372 DCDVWOXKQOIQOS-UHFFFAOYSA-N 438.560 2.270 0 40 IEAB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(CCN2CCCC2)CC1 23254252 MKSYJXIAYIWTKP-UHFFFAOYSA-N 445.567 2.298 0 40 IEAB CCN1CCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 26113781 XAFCVVHAVIICLF-FQEVSTJZSA-N 449.960 2.460 0 40 IEAB Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@@H](O)CN1C(=O)c2ccccc2C1=O 28916484 PSGLLLBRSOYFCZ-QGZVFWFLSA-N 428.448 2.129 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(OC)cc54)[C@@H]3C2=O)cc1 35780136 IONSZNNLTKXDEU-CMCWBKRRSA-N 433.464 2.135 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)CC2)cc1C 35897739 GVFZYOXBBXDWLC-BWPNAZKDSA-N 432.542 2.049 0 40 IEAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCN(Cc3ccccn3)CC1)cn2CC(=O)O 36358793 PEGUREJYQVOTKD-QFIPXVFZSA-N 438.484 2.073 0 40 IEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)cc2)n1 39962430 YRDYXRXWPWGRKW-NONVJHHQSA-N 442.497 2.356 0 40 IEAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 40092744 UAPAZEWPQNJPTP-FQEVSTJZSA-N 444.557 2.341 0 40 IEAB COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1OC 40160323 OKZGRMDNKNBBPI-QHCPKHFHSA-N 443.475 2.055 0 40 IEAB O=C(Nc1ccc(NC(=O)[C@H]2Nc3cc(F)ccc3S(=O)(=O)N2)cc1)c1ccco1 64960047 HEXDVBOFEOKPCJ-KRWDZBQOSA-N 430.417 2.340 0 40 IEAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)CC1 72335959 SIJKENGZMSJZJU-KRWDZBQOSA-N 436.578 2.001 0 40 IEAB O=S(=O)(N1CCOCC1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 72371310 NQQQBQBEGQMXJS-HNNXBMFYSA-N 440.953 2.051 0 40 IEAB O=C(NCCc1ccccn1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95476618 KIPLXXGKBRAGSE-GFCCVEGCSA-N 428.290 2.432 0 40 IEAB O=C(O)[C@H]1[C@H]2O[C@@H](C(Br)=C2Br)[C@@H]1C(=O)NCc1ccccc1 100352254 DEWFVKCHJHZNRI-NRMKKVEVSA-N 431.080 2.402 0 40 IEAB O=C1C[C@@H](C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)C2(CCCCC2)O1 105744504 VORSMZZPSNUUPP-OXJNMPFZSA-N 447.557 2.221 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)CC1 220467615 MESQOFDFSSUCGG-INIZCTEOSA-N 435.521 2.338 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1NC(C)=O 223262185 HAHAHKQRVMAFOY-UHFFFAOYSA-N 426.520 2.311 0 40 IEAB Cc1ccc2c(c1)O[C@@H](C(=O)NCc1ccccc1CN1CCCC1)CN2S(C)(=O)=O 224788805 ZUZPXSDWQNOYMB-JOCHJYFZSA-N 443.569 2.434 0 40 IEAB CCn1cc(C(=O)NCc2nnc3c(-c4nc(C)no4)cccn23)c(=O)c2ccc(C)nc21 225747791 UXNDSDYGCVZZQI-UHFFFAOYSA-N 444.455 2.056 0 40 IEAB Cc1c(C(=O)N2[C@H]3CC[C@H]2CC2(C3)NC(=O)N[C@H]3OCCC[C@H]32)sc2ncnc(O)c12 257274814 NMTGFDHDHNXKPT-JRATXPSKSA-N 443.529 2.277 0 40 IEAB CN1CCn2c(C(=O)NCC(F)(F)F)nnc2C12CCN(Cc1ccc(F)cc1)CC2 306124180 BIJBHKWLNABEEY-UHFFFAOYSA-N 440.445 2.146 0 40 IEAB Cc1nc2ncc3c(=O)n(CC(=O)N[C@@H]4CCCc5c4[nH]c4ccccc54)ccc3n2n1 524735118 WMQCVVDPVYKDQF-GOSISDBHSA-N 427.468 2.423 0 40 IEAB CCCOc1cccc(CCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)c1 1566548094 VBMXAFSMFKXAJK-UGKGYDQZSA-N 428.504 2.478 0 40 IEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC3(CCCN(C(=O)OC(C)(C)C)C3)C1)C2=O 1636899088 NQTKMKXLINYCFH-UHFFFAOYSA-N 448.564 2.347 0 40 IEAB Cc1nc(O)nc(O)c1CCC(=O)N(C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 1651185555 CSPLMEVBIRVRQW-CYBMUJFWSA-N 430.288 2.334 0 40 IEAB CN(C(=O)CNC(=O)[C@@H](N)CCCCN)c1ccc(Cl)cc1C(=O)c1ccccc1 1532335 LTKOVYBBGBGKTA-SFHVURJKSA-N 430.936 2.106 0 40 IEAB biogenic,in-man CCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 2055866 KGGZOICPRXFAGF-ZDUSSCGKSA-N 438.937 2.409 0 40 IEAB biogenic COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 4897683 OLTYOXGJTDARCS-NRFANRHFSA-N 429.561 2.430 0 40 IEAB CCN(CC)CCn1c(C)c(C)n2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc12 8704589 YARTXLXODLOKLY-UHFFFAOYSA-N 436.560 2.351 0 40 IEAB CC(=O)c1sc(NC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)nc1C 8986966 HXQRQDJPULVNMV-UHFFFAOYSA-N 431.503 2.161 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)C1=O 9465864 NDRGZCKFQXGDIU-IQMFZBJNSA-N 441.459 2.403 0 40 IEAB COc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(OC)c1 9584915 DOFZVAVMTOSDSO-MRXNPFEDSA-N 426.469 2.487 0 40 IEAB COc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 9743529 MRCWGBGHBYRNSB-KRWDZBQOSA-N 445.541 2.383 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2cccs2)c(C)c1 9806352 NLENMLMPHXWBDM-KRWDZBQOSA-N 449.598 2.259 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccco4)o3)CC2)cc1 10337675 UCUSLTWYFSYZHL-UHFFFAOYSA-N 432.458 2.378 0 40 IEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)Cc2cccc(C)c2)C[C@@H]1C(=O)N(C)C 12125216 YLGADYGXLDKKCM-GJZUVCINSA-N 449.551 2.208 0 40 IEAB CNC(=O)C1CCN(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 12334594 HYDWKRRSOKDLJP-UHFFFAOYSA-N 448.873 2.214 0 40 IEAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)c1cccc(CN2CCCC2=O)c1 14169543 JPDBLEPYJHGVDE-UHFFFAOYSA-N 448.567 2.225 0 40 IEAB C[C@H](OC(=O)c1cccnc1SC(F)F)C(=O)Nc1ccc(S(N)(=O)=O)cc1 14227724 ALRYJEIWEHITMZ-VIFPVBQESA-N 431.442 2.228 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 15391554 UVKVUFKNLCATRZ-KRWDZBQOSA-N 433.505 2.392 0 40 IEAB COc1ccccc1NC(=O)Cc1noc(CN2CCN(C(=O)c3cccs3)CC2)n1 16695790 BVMGRFMIMCICNA-UHFFFAOYSA-N 441.513 2.279 0 40 IEAB O=C(NCc1ccncc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 17168251 BAKMWMHHJKHTEB-UHFFFAOYSA-N 430.313 2.339 0 40 IEAB CN1CCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CC1 19589771 KSOKEWYSXLCENQ-VXKWHMMOSA-N 434.588 2.066 0 40 IEAB CCN1CCC(CC(=O)N2CCC[C@@H]2c2nc3c(c(NC)n2)CN(C(C)=O)CC3)CC1 19710808 SXMIQYYYDPXOGF-HXUWFJFHSA-N 428.581 2.208 0 40 IEAB CNc1nc(C2CCN(C)CC2)nc2c1CN(S(=O)(=O)c1ccc(OC)c(C)c1)CC2 19711372 GMPGAUJHDVKLPC-UHFFFAOYSA-N 445.589 2.392 0 40 IEAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)N1CCN(Cc2ccccc2)CC1 19797439 DSNQMKNUCMISSE-UHFFFAOYSA-N 447.944 2.365 0 40 IEAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 20723378 IZKLCXFMNSMAPW-NHCUHLMSSA-N 439.443 2.417 0 40 IEAB COc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1OC 20725152 DJFAQOHBOWDLMP-UHFFFAOYSA-N 436.468 2.108 0 40 IEAB Cc1ccccc1CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 23805805 RHQNYISINORWSY-HXUWFJFHSA-N 435.524 2.464 0 40 IEAB O=C(c1cccnc1N1CCCC1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 23995713 FPFMPLDJBWNAPF-UHFFFAOYSA-N 432.521 2.358 0 40 IEAB CCOC(=O)c1cnn(-c2cccc(NC(=O)CSc3nnnn3C3CC3)c2)c1C 25991457 CVXBSFVFRTVHFJ-UHFFFAOYSA-N 427.490 2.410 0 40 IEAB CCOC(=O)C1=C(CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)NC(=O)N[C@@H]1c1ccco1 31801578 WJCBJGARSLBHEB-SCLBCKFNSA-N 438.440 2.308 0 40 IEAB CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2)CC1 32125393 MXFSPUYPWLXXKX-KPKJPENVSA-N 444.582 2.295 0 40 IEAB O=C(COc1coc(CN2CCSCC2)cc1=O)NCCc1c[nH]c2ccccc12 49546219 OHPSSIFCYWYKFK-UHFFFAOYSA-N 427.526 2.408 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)N1CCC[C@H](CNS(C)(=O)=O)C1 58112540 FZIQAKGHPBDUEY-ZWKOTPCHSA-N 433.578 2.077 0 40 IEAB C[C@@H](OC(=O)CNS(=O)(=O)c1cccs1)C(=O)Nc1sc2c(c1C#N)CCC2 58690128 LTLFIWQZXKLRDG-SNVBAGLBSA-N 439.540 2.019 0 40 IEAB CS(=O)(=O)c1ccc(NC(=O)Cn2cc(-c3ccccc3)c(N3CCOCC3)n2)cc1 62006879 YACAIOZFCNTNKL-UHFFFAOYSA-N 440.525 2.429 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCN(C(C)C)CC2)nc1N 67336254 KUIMNDWJZDXOCY-UHFFFAOYSA-N 425.942 2.084 0 40 IEAB CC(=O)N1CCC(CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)CC1 72302688 VXWAAINYTVJNGX-UHFFFAOYSA-N 435.590 2.175 0 40 IEAB COc1ccc(C)cc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 225029394 QJLJGRPLLZNFNJ-UHFFFAOYSA-N 435.527 2.322 0 40 IEAB CC1CCN(c2cc(C(F)(F)F)nc(NC(=S)NCCN3CCOCC3)n2)CC1 225905495 NNWUVRQVSVNWGA-UHFFFAOYSA-N 432.516 2.350 0 40 IEAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3Br)CC2)cn1C 238820067 CKXVIBNOVWIIGF-UHFFFAOYSA-N 441.351 2.028 0 40 IEAB O=C1CCCN1CCOc1ccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4cccc4cn3)C2)cc1 257274969 NNLGHBUFTMKYKK-WMZHIEFXSA-N 448.523 2.011 0 40 IEAB Cc1cc2nc(CCC(=O)N[C@H]3CCC[C@H](n4cnc5c(N)ncnc54)[C@H]3O)[nH]c2cc1C 257308944 TYWBIECKADJHLS-LFRPXUGBSA-N 448.531 2.105 0 40 IEAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2C)cc1 409159998 OVEXQJHSDUWPKL-YJBOKZPZSA-N 445.589 2.470 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCCO)c(Cl)c1)c1ccccc1 409370293 OIJXVPIDUXRTEJ-CQSZACIVSA-N 426.922 2.257 0 40 IEAB CN(C)C(=O)C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)c2ccc(Cl)cc21 577207059 MTIFMUPZIPOVQM-ZDUSSCGKSA-N 440.887 2.244 0 40 IEAB Cc1nc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@H](C)NC(=O)C2)co1 643559072 KOVCZKPQYNVAFI-ZDUSSCGKSA-N 448.907 2.186 0 40 IEAB C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1141518724 QLSKIRRBPWXJJZ-XFQXTVEOSA-N 442.487 2.196 0 40 IEAB COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2ccc(S(N)(=O)=O)cc2)C1=O 938525 FLVNIJRCZWZZLY-UHFFFAOYSA-N 442.280 2.432 0 40 IEAB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCCN21 2131259 KRSYHPAEUURVAM-HOKASXAUSA-N 445.475 2.409 0 40 IEAB biogenic C[C@H](NC(=O)[C@H](C)NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O 8790411 YFECGJUZJGVOSH-HOTGVXAUSA-N 447.532 2.049 0 40 IEAB biogenic Cc1c(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)oc2ccc(Br)cc12 9493627 AVFMWWGWEVFCQU-LBPRGKRZSA-N 444.303 2.306 0 40 IEAB CCOc1cc(CNC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)ccc1OC 9568807 MWJLGTXILAVURV-MRXNPFEDSA-N 441.484 2.470 0 40 IEAB CCCCn1c(N)c(Br)c(=O)n(CC(=O)N(C)Cc2ccccc2C)c1=O 13016695 AGDDIUIOLCKOSP-UHFFFAOYSA-N 437.338 2.122 0 40 IEAB O=C(Cn1c(=O)n2nc(-c3ccccc3)nc2c2c3c(sc21)CCC3)N1CCOCC1 13720460 ZSOYBYZZWQUESX-UHFFFAOYSA-N 435.509 2.120 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Br)cc1 14365737 JUTYSBFYPHUPPU-UHFFFAOYSA-N 445.360 2.462 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1nc3ccccc3[nH]1)n2C 17304476 YOHODFXIRZOADS-UHFFFAOYSA-N 426.502 2.271 0 40 IEAB COc1cccc([C@@H]2CN(C(=O)CN3CCN(C(C)C)CC3)C[C@H]2c2csnn2)c1 19447993 FNEXIKLMOPEIFD-VQTJNVASSA-N 429.590 2.282 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)c1 19692651 IHGVZBBHUDCAAR-HXUWFJFHSA-N 449.511 2.131 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCCCN1CCc2ccccc21)c1ccc(F)cc1 20244404 XAFJMSKOCLICLN-UHFFFAOYSA-N 434.537 2.008 0 40 IEAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 20723371 IZKLCXFMNSMAPW-SFTDATJTSA-N 439.443 2.417 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)CC1 21897766 JDPBQECJSYZEES-UHFFFAOYSA-N 441.351 2.304 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)OCc2cc(Cl)c3c(c2)OCCO3)c1=O 29746130 LUACCMYKXLELBR-UHFFFAOYSA-N 430.844 2.351 0 40 IEAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1 32699873 RCEMGYRWSUQTIW-UHFFFAOYSA-N 442.526 2.487 0 40 IEAB NC(=O)Cn1c(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)nc2ccccc2c1=O 58160483 OSZMFXGTKQQLPN-IBGZPJMESA-N 434.496 2.380 0 40 IEAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccc(CC)cc1 67286536 BALTZAMZXXTOMR-FQEVSTJZSA-N 429.517 2.259 0 40 IEAB O=C(C1CN(S(=O)(=O)C2CC2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 70818155 UGIVNMXUNQXFLT-UHFFFAOYSA-N 439.581 2.344 0 40 IEAB O=C(CCc1nc2ncc(Br)cc2[nH]1)NC[C@H](c1ccco1)N1CCOCC1 79492599 XAZNIHKMGKWCIW-OAHLLOKOSA-N 448.321 2.436 0 40 IEAB COCCn1cnc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)cc2c1=O 95480080 KVZPRZVMCFYTHR-HNNXBMFYSA-N 436.468 2.043 0 40 IEAB CC(C)CN1Cc2c(C(=O)NCc3cccnc3)ncn2-c2ccccc2S1(=O)=O 96266158 HNCZBSQLHGWFAA-UHFFFAOYSA-N 425.514 2.358 0 40 IEAB Cc1ccccc1C(=O)/C=c1\s/c(=C\c2ccc(F)cc2)c(=O)n1CC(=O)NC(C)C 96920386 HBLKPQAPUVAAIG-JNCKMVCSSA-N 438.524 2.374 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222606033 HDSSATXQGWWACH-QGZVFWFLSA-N 449.548 2.372 0 40 IEAB COc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 224352243 DJQKTKPBMDYGJQ-UHFFFAOYSA-N 448.541 2.444 0 40 IEAB NC(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 224702871 TZIZKFDNKRKDIG-UHFFFAOYSA-N 437.890 2.344 0 40 IEAB Cc1ccc(C)c(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 224713596 NZRGIRMXWYTVCX-UHFFFAOYSA-N 445.585 2.218 0 40 IEAB COC(=O)c1cc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)ccc1Cl 224752484 IDNFSAZRKQOONT-UHFFFAOYSA-N 438.933 2.437 0 40 IEAB C[C@H](NC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)[C@H]1C[C@H]2CC[C@H]1C2 248382492 XBJZWMFOJYZFMH-QPFNTXAASA-N 439.560 2.275 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4N=CC=C[C@H]4[C@@H]3C2=O)cc1 253487978 UTYXMQOBMVGVFW-TUFLPTIASA-N 429.432 2.209 0 40 IEAB CN1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](Cc2cncc3ccccc23)C1 257212836 CFDRDRPGGLOFNO-KRWDZBQOSA-N 444.539 2.449 0 40 IEAB COC1CCN([C@H]2[C@H](NC(=O)c3cccnc3C)C[C@@H](Oc3ccccc3)[C@@H]2O)CC1 257223343 DWXQZFBDGRHREU-LUKWVAJMSA-N 425.529 2.180 0 40 IEAB CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)c1ccc(OCCN)cc1 257261135 LFVUMUOVGAIUQK-UHFFFAOYSA-N 435.528 2.071 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CN(C(=O)CCn4ccnc4C)CCO3)c2)cn1 257340792 ZHOPXBWETBVEHH-JOCHJYFZSA-N 448.527 2.307 0 40 IEAB COc1ccc(S(=O)(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1OC 409110627 FLPPNKBNZCYORY-UHFFFAOYSA-N 432.542 2.463 0 40 IEAB COc1ccc(CCC(=O)N2CC[C@H](N3C(=O)CNC3=O)C2)cc1OCc1ccccc1 575610958 QAFRWSGOXFHPEO-IBGZPJMESA-N 437.496 2.360 0 40 IEAB O=C(Cc1ccc(Cl)cc1)N1CC[C@H](O)[C@@](O)(CN2CCC(C(F)(F)F)CC2)C1 643550755 WESVDVLYVGYBKQ-PKOBYXMFSA-N 434.886 2.481 0 40 IEAB CS(=O)(=O)CCC(=O)N1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1 2055785539 ZBGQTQIOIWXNHI-UHFFFAOYSA-N 441.962 2.411 0 40 IEAB CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)Oc1cccc2ccccc12 2322739 NQLAVCKRAPRKCL-INIZCTEOSA-N 426.498 2.476 0 40 IEAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cccs1 3346369 DFILECCFKQYYBO-UHFFFAOYSA-N 439.515 2.330 0 40 IEAB CC(=O)Nc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 3380760 OXPULQCFKPYREN-UHFFFAOYSA-N 433.555 2.270 0 40 IEAB Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 6444631 XQGLXWKZTLEAMA-HNNXBMFYSA-N 427.892 2.339 0 40 IEAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)C1=O 8769356 ZJGVUHYQJXNMEO-SFHVURJKSA-N 434.547 2.109 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)CO 8790139 RDIHDMDDFNZAPU-AXJFLQAZSA-N 433.574 2.063 0 40 IEAB biogenic CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 8790369 FIRAKOBZCZTWHB-NZNSQFJMSA-N 447.557 2.155 0 40 IEAB biogenic Cc1oc2cc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 9282944 KANJLNZYNJBMNO-INIZCTEOSA-N 427.478 2.451 0 40 IEAB O=C1O[C@H](C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)Cc2ccccc21 9468234 KORMZFNUTSTFRI-QFIPXVFZSA-N 437.496 2.080 0 40 IEAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(c2ccc(F)cc2)CC1 9468485 VNBMTDCNWPLEJR-UHFFFAOYSA-N 446.548 2.371 0 40 IEAB CCN(CC)C(=O)CSc1nc(-c2cc(C)cc(C)c2)nc2c1c(=O)n(C)c(=O)n2C 9517577 DWQWCTSBFXCQCX-UHFFFAOYSA-N 441.557 2.272 0 40 IEAB O=C(c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)N1CCN(c2ccccc2O)CC1 9614101 QTNRRXWAQZDYBI-UHFFFAOYSA-N 435.933 2.449 0 40 IEAB C[C@@H]1CCN(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c2ccccc2S1 9728759 LUJOTIUSDZFJRC-LLVKDONJSA-N 433.921 2.005 0 40 IEAB CCOC(=O)Cc1nnc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)s1 9762104 ZCPKSRHRPUFSIP-UHFFFAOYSA-N 440.481 2.476 0 40 IEAB CCn1cc([C@H]2C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)N(C)S(=O)(=O)N2)c(C)n1 12130306 URMGOTOBGGDDIV-HZPDHXFCSA-N 429.905 2.222 0 40 IEAB COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2cc(C)ccc2C)n(C)c1=O 12231732 MSCOEGBIWOSOFX-UHFFFAOYSA-N 436.516 2.011 0 40 IEAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCCNC1=NS(=O)(=O)c2ccccc21 12691425 CUHQYSWOVJABSV-UHFFFAOYSA-N 448.932 2.256 0 40 IEAB C[C@@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccc(S(N)(=O)=O)cc1 12854981 UBVNPFBNMMKZCJ-OAHLLOKOSA-N 425.510 2.023 0 40 IEAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12993373 BVWOVJUHNYGVJA-JTQLQIEISA-N 435.836 2.045 0 40 IEAB CC(C)CN(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13009913 ZYSIJZLPBXAYBU-INIZCTEOSA-N 428.489 2.066 0 40 IEAB COc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc(OC)c1 13030236 BKMHYGMWXUENBP-UHFFFAOYSA-N 447.557 2.266 0 40 IEAB O=C(NC[C@H](O)c1ccccc1)C(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21 13628701 AIPIRRGZHHQOHJ-VXKWHMMOSA-N 429.476 2.241 0 40 IEAB COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)cn2)cc1 13807146 FNYDFCGCIFQPAL-UHFFFAOYSA-N 434.496 2.276 0 40 IEAB O=S(=O)(c1ccccc1F)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13848225 VHODFKCRIZXKEH-UHFFFAOYSA-N 428.449 2.034 0 40 IEAB COc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)c1 14940181 UTLAXKXBRFAHBU-MRXNPFEDSA-N 438.484 2.258 0 40 IEAB CCc1ccc(NC(=O)C[S@](=O)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 15935812 VHPGHLVFQSUUBF-SSEXGKCCSA-N 429.542 2.412 0 40 IEAB Cc1nc(N)cc(N2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)n1 19240913 MIQKPJLANBAZPW-GOSISDBHSA-N 432.532 2.440 0 40 IEAB COCCC(=O)N(C)Cc1nc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19701434 IVMOVXSTQNVCLG-HNNXBMFYSA-N 429.496 2.197 0 40 IEAB O=C(c1cccnc1)N1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19759349 QWGRWPKRNHKNIN-QFIPXVFZSA-N 432.480 2.316 0 40 IEAB COc1ccc(CC(=O)N2CCC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cc1 19764132 JDAXMDZMOSROKT-IBGZPJMESA-N 438.528 2.215 0 40 IEAB Cc1cc(C(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c(C)n1-c1ccon1 21625045 YAXBTBKHSWYLJH-CYBMUJFWSA-N 436.515 2.417 0 40 IEAB COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)cc1NC(C)=O 26832678 KHEMTPAWNNZITA-UHFFFAOYSA-N 431.514 2.255 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN([C@H](C)C(=O)Nc4cc(C)no4)CC3)cccc2c1 29836510 LFTMOQCKWCYOMW-MRXNPFEDSA-N 443.529 2.173 0 40 IEAB O=C1N[C@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)CS[C@H]1Cc1ccccc1F 32753075 YWWOSYYNIJHAKT-PMACEKPBSA-N 441.528 2.412 0 40 IEAB COC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 35177409 TYGYXVYLIGYUMG-LLVKDONJSA-N 426.878 2.441 0 40 IEAB CCc1nc2nc3ccn(CCN4CCOCC4)c(=O)c3c(-c3ccc(OC)cc3)n2n1 38828809 NUIIXIWOZSEWJJ-UHFFFAOYSA-N 434.500 2.009 0 40 IEAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 40047144 WOCFMQCXMHSNHK-FQEVSTJZSA-N 447.557 2.223 0 40 IEAB CCOC(=O)CN(Cn1nc(N2CCOCC2)n(Cc2ccccc2)c1=S)C1CC1 58162793 DSYPNZYPLZEKSE-UHFFFAOYSA-N 431.562 2.284 0 40 IEAB Cc1nn(C)cc1CN1CCC(c2nc(-c3ccccn3)ncc2S(C)(=O)=O)CC1 72335868 JSJIRQAZSLWNPE-UHFFFAOYSA-N 426.546 2.364 0 40 IEAB CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)C(C)C)CC2)cc1 95457896 GDFPCFAITRQIIF-UHFFFAOYSA-N 430.592 2.143 0 40 IEAB O=C(COC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1nc(-c2ccc(F)cc2)cs1 97569678 ZWTMUPRBSDYPDQ-HUUCEWRRSA-N 443.456 2.382 0 40 IEAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 104809295 ZBRWXWZARNSUKQ-HUUCEWRRSA-N 446.525 2.268 0 40 IEAB CSc1nnc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)s1 223323109 RHQVBRSKPFSJLL-UHFFFAOYSA-N 430.533 2.174 0 40 IEAB CC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)s1 223431314 GUOJQVAZFOLFEF-UHFFFAOYSA-N 436.519 2.323 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223785058 KQAFCXBAPPMTCN-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(OC)c1OC 225510216 JENANMNIEYFYCS-KRWDZBQOSA-N 448.541 2.430 0 40 IEAB CN(C(=O)c1ccn(C)n1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257284565 PDELWSAQTHOFJA-GTTYTOFKSA-N 427.545 2.490 0 40 IEAB COc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 260842936 ZCSOFMPJTFMURB-LSDHHAIUSA-N 434.514 2.498 0 40 IEAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N[C@H]2CS(=O)(=O)C[C@H]2O)cc1 575425981 JZNQUJUCHKBIAO-JKSUJKDBSA-N 430.935 2.019 0 40 IEAB CC[C@H](C)NC(=O)Cn1c(=O)/c(=C/c2ccc(F)cc2)s/c1=C/C(=O)c1ccco1 585145942 FGKGHLYFYNPASA-LNXYWDEJSA-N 428.485 2.049 0 40 IEAB COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604405309 YSROWBBGXAUAFH-INIZCTEOSA-N 425.441 2.252 0 40 IEAB biogenic C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1nc(-c2ccncc2)no1 604419239 VKQVAGIPFAOCHU-NVVBAYIOSA-N 433.468 2.290 0 40 IEAB CN1CCN(c2ncc(Br)cc2NC(=O)NCC[C@@H](O)C(F)(F)F)CC1 1205371940 POHXXFXXWBTQMW-GFCCVEGCSA-N 440.264 2.031 0 40 IEAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c(C)c1 1363865 APTPMDCFIFMKMN-KRWDZBQOSA-N 440.529 2.319 0 40 IEAB Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1-c1ccccc1 3377453 YQJKLJDAVZCQCV-CQSZACIVSA-N 432.527 2.231 0 40 IEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cccs1 4569507 KVXLBEREBIZLMG-MRXNPFEDSA-N 425.576 2.024 0 40 IEAB O=C(CSc1nnnn1C1CCCC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 8314962 KLBHTWBEOVBWCA-MRXNPFEDSA-N 427.596 2.229 0 40 IEAB CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2c(c1)OCO2 8636200 XSLSEEVMBXMPDM-RCZSKKKRSA-N 436.556 2.425 0 40 IEAB biogenic,in-vitro O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 8877292 NAEZQNRJBHPTCW-CVEARBPZSA-N 432.476 2.468 0 40 IEAB biogenic O=C(Nc1nnc(SCC(=O)N2CCCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1 8904008 LYPPGGSWJPCRAV-ZDUSSCGKSA-N 431.543 2.244 0 40 IEAB COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1 8927487 NZWUDJDNVWZRSH-OAHLLOKOSA-N 430.844 2.268 0 40 IEAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9535969 QXYPMKUUEQLGGD-SFHVURJKSA-N 437.468 2.215 0 40 IEAB CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 9668195 VVHISCRNPSCXBN-GFINZBGFSA-N 437.606 2.350 0 40 IEAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 9787698 VUCWXKAETSTPPV-ZMSDIMECSA-N 435.546 2.132 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1 10040311 VBIGEEDTQKHFIA-UHFFFAOYSA-N 445.324 2.440 0 40 IEAB COc1cc(CN2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc2c1OCO2 12089489 UCQOQMUXSABWFX-NRFANRHFSA-N 431.514 2.366 0 40 IEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@@H](C(=O)OC)[C@H]1c1ccc(NC(C)=O)cc1 12402746 GBZNBHUOKKUAFS-LEWJYISDSA-N 428.485 2.237 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12868120 RHDRZUYAUIXCNP-UHFFFAOYSA-N 440.525 2.071 0 40 IEAB NC(=O)c1ccccc1NC(=O)CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 13572202 XVNSOJGJCQQXSV-UONOGXRCSA-N 442.566 2.023 0 40 IEAB COc1ccc(N(CC(=O)NCCCN(C)C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 13672521 TYZFDGDGCVGCOH-UHFFFAOYSA-N 449.573 2.275 0 40 IEAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)c1 13719680 IRMCFZFFTJNALC-UHFFFAOYSA-N 436.511 2.393 0 40 IEAB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)c12 15391738 KBKSOOFWMGRZTM-UHFFFAOYSA-N 431.452 2.213 0 40 IEAB CC(C)NC(=O)CCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCCC2)c1=O 16840194 CHUHASSVVITWAD-UHFFFAOYSA-N 442.560 2.307 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc4nsnc34)CC2)cc1C 19077067 ATZUYYUBWFCEEF-UHFFFAOYSA-N 445.570 2.253 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3cccc(F)c3)CC1)C2=O 19700670 GJHNAIYXFBGCHX-UHFFFAOYSA-N 444.551 2.403 0 40 IEAB CNC(=O)NC(=O)CSc1nnc(CN2c3ccccc3Sc3ccccc32)n1N 19897500 SQDNNRYTEKXJMU-UHFFFAOYSA-N 441.542 2.343 0 40 IEAB Cc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1 20140645 UXSQYLZPGDXOHH-CTNGQTDRSA-N 436.516 2.301 0 40 IEAB CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(Cl)cc1 21131350 LELPADGNIGWXOI-UHFFFAOYSA-N 431.942 2.040 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 22247631 JURQBDVJFYORMY-PZJWPPBQSA-N 432.542 2.270 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2)cc1 22934679 APNTXTGFBFDOBX-UHFFFAOYSA-N 430.574 2.163 0 40 IEAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NCCCN1CCOCC1 28226950 BKVDHWCRVYHWOO-NSHDSACASA-N 427.265 2.372 0 40 IEAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 34890462 XAWUXSNDHMCLSB-IBGZPJMESA-N 434.606 2.093 0 40 IEAB CCOC(=O)CNC(=O)CSc1nnc(NC(=O)c2nc3ccccc3s2)s1 42379301 TZOKHUSWMGJRAP-UHFFFAOYSA-N 437.528 2.172 0 40 IEAB O=S(=O)(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)N1CCCCC1 48274880 FTYLYTJYDWYBAM-UHFFFAOYSA-N 433.553 2.368 0 40 IEAB COCCn1ncc2ccc(NC(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)cc21 58157874 QESXMUMKCODLDS-UHFFFAOYSA-N 435.484 2.178 0 40 IEAB COc1cccc(CNC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c1OC 67317038 IYKSJVKZOOJIEZ-UHFFFAOYSA-N 443.529 2.177 0 40 IEAB COc1ccc(OC)c(NC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)c1 72325908 DFOGMWDQALECHD-HSZRJFAPSA-N 438.484 2.207 0 40 IEAB Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(CC(=O)N3CCC(C)CC3)CC1)O2 72394459 REKJTDZDLNLHFI-UHFFFAOYSA-N 449.617 2.242 0 40 IEAB O=C(CSc1nnnn1-c1ccccc1)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 78875372 ZEXNKPRDUUSHNA-KRWDZBQOSA-N 445.501 2.237 0 40 IEAB CN1CCN(CC2(C)CCN(C(=O)[C@H]3CCCN3C(=O)Cc3cccs3)CC2)CC1 96013938 NJHDKAKOQATFLO-HXUWFJFHSA-N 432.634 2.158 0 40 IEAB CCOC(=O)N1CCc2nn(CC(=O)Nc3ccc(Br)cc3)c(=O)cc2C1 96105716 YQRSHSSAVFWBFQ-UHFFFAOYSA-N 435.278 2.159 0 40 IEAB COCCN1[C@H]2CCN(C(=O)Cc3ccccc3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145783 MCSMYNSXCAAHGG-PMACEKPBSA-N 444.553 2.318 0 40 IEAB CCS(=O)(=O)[C@](Br)(I)C(=O)c1ccc(N)cc1 96518551 WEXZDLARTHYKEA-SNVBAGLBSA-N 432.077 2.370 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)c3cccc(N(C)S(C)(=O)=O)c3)n2)cc1 222424959 TZXGRSCHHNARLE-UHFFFAOYSA-N 430.486 2.413 0 40 IEAB C[C@@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc2c(c1)OCCO2 222705124 PYNBTIVPXFKWQA-CQSZACIVSA-N 437.493 2.087 0 40 IEAB COC(=O)[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c2ccccc2O1 222897829 LPPRDODESIHTFS-FQEVSTJZSA-N 444.509 2.027 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 223786501 YREWDCJXNUTERR-HZPDHXFCSA-N 436.530 2.442 0 40 IEAB CN(c1ccc(OCC(=O)NCc2cccc(CN3CCCC3)c2)cc1)S(C)(=O)=O 224638216 AWIJCGNVQJAISD-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 408963052 LYKKITRDLRXWRT-SXGWCWSVSA-N 429.429 2.365 0 40 IEAB Cc1noc(COCC(=O)N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)n1 501182883 UPJZWHZSXHKBCK-GOSISDBHSA-N 429.452 2.436 0 40 IEAB O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CCC[C@H](Oc2ncc(F)cn2)C1 575614294 YPEBOZCRAHNUBN-HNNXBMFYSA-N 435.406 2.206 0 40 IEAB O=C1CN2CCN(C(=O)c3nccs3)C[C@H]2COc2ccc(-c3cccnc3)cc2N1 1772594772 WZQBVZDYVXNPDZ-KRWDZBQOSA-N 435.509 2.363 0 40 IEAB CCn1nc(C)c(S(=O)(=O)N2CCN(c3cc(O)nnc3-c3ccccc3)CC2)c1C 1888913684 VYPCJIQIAOZULD-UHFFFAOYSA-N 442.545 2.193 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 785179 UOHUAFLXBIZWRV-HNNXBMFYSA-N 426.535 2.042 0 40 IEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 3438728 ZAAIKHDLJCJXDH-QFIPXVFZSA-N 441.509 2.121 0 40 IEAB COC(=O)[C@](NC(=O)C(F)(F)F)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F 3624392 UNWIXEPUHYXZDT-CQSZACIVSA-N 425.285 2.083 0 40 IEAB CCN(CC)CCCNC(=S)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6193068 HXJUIEDDDZTYBJ-UHFFFAOYSA-N 448.589 2.048 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NCCc2ccc(Cl)cc2)C1=O 9514308 YAYNXEZEGKHQLT-JOCHJYFZSA-N 443.887 2.237 0 40 IEAB COc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 9540460 JRFCHUAGJIQNAF-UHFFFAOYSA-N 446.934 2.170 0 40 IEAB COc1ccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)cc1OC 9745750 IXVJKAMAXRTTSJ-UHFFFAOYSA-N 446.573 2.432 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1 9806215 XHWTWNCSZSSGFU-OAHLLOKOSA-N 437.468 2.181 0 40 IEAB COC(=O)c1ccccc1N(C)C(=O)CSc1n[nH]c(=O)n1CCc1ccccc1 10414966 APGPJXISLSLYHB-UHFFFAOYSA-N 426.498 2.356 0 40 IEAB CCOc1ccc(C(=O)NCCS(=O)(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 10705376 TVHLTRYUKNTMOK-UHFFFAOYSA-N 448.541 2.220 0 40 IEAB O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12030930 OZOWBQHGXGYNNP-MRXNPFEDSA-N 429.535 2.407 0 40 IEAB CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCO2 12196348 YVEMLDRIQCJZCO-IBGZPJMESA-N 445.541 2.233 0 40 IEAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCO)c(=O)cc1[C@@H](N(C)CCO)CC2 12877310 PIFWVYULEKIYFF-IBGZPJMESA-N 444.528 2.055 0 40 IEAB biogenic CN1CCN(C(=O)c2ccc(NC(=O)Cn3nc(-c4ccccc4F)ccc3=O)cc2)CC1 12881598 WFFVMRIIRMTEDE-UHFFFAOYSA-N 449.486 2.076 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 12882422 BMYAILLNUOZRDB-FUHWJXTLSA-N 448.523 2.393 0 40 IEAB biogenic CCCn1nc(C(=O)N(CCOC)Cc2nc3ccccc3c(=O)[nH]2)c2ccccc2c1=O 12917927 HCUWTXRQNDFKHA-UHFFFAOYSA-N 447.495 2.332 0 40 IEAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NC[C@@H]2CCCO2)c1 14009972 BBFJAHQICJVCGR-HOTGVXAUSA-N 425.514 2.223 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccccc2cc1O 18151463 ICQRERIDQAKIEO-UHFFFAOYSA-N 426.494 2.496 0 40 IEAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(C(=O)CN3CCCCC3)C2)n1 19694785 FNVPIIJIUFNAPI-IBGZPJMESA-N 436.560 2.110 0 40 IEAB Cc1cc2nc(C)c(CCC(=O)N3CCN(C)C(=O)[C@H](Cc4ccccn4)C3)c(C)n2n1 19696821 LXZQFTMNZAECOO-LJQANCHMSA-N 434.544 2.142 0 40 IEAB Cc1cc(C)n2ncc(C(=O)N3CCO[C@@H](c4c(C(N)=O)sc5ncccc45)C3)c2n1 19702892 LGSOTTDKWSDYPP-OAHLLOKOSA-N 436.497 2.268 0 40 IEAB Cc1nn2c([C@H]3CCN(C(=O)C4CCCC4)C3)ccnc2c1CN1CCC(C(N)=O)CC1 19707667 BFOFUXQVBIWESY-IBGZPJMESA-N 438.576 2.241 0 40 IEAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)nc1C 19766368 CRQGEVGIEZDIHH-MRXNPFEDSA-N 447.495 2.374 0 40 IEAB COc1cc2c(c3oc(=O)c(CC(=O)NCCN4CCOCC4)c(C)c13)CCC(C)(C)O2 20760215 JBFFWZWYVIABCI-UHFFFAOYSA-N 444.528 2.205 0 40 IEAB biogenic COC[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O 22253739 WXKCFWBJSITJFK-OAHLLOKOSA-N 436.530 2.435 0 40 IEAB Cc1cccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1C 22341013 AOCVSNNWFIKXCT-INIZCTEOSA-N 438.571 2.350 0 40 IEAB COc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)N2CCOCC2)cc1 23055375 MMAMFZQOLSYZOU-FQEVSTJZSA-N 438.484 2.116 0 40 IEAB CN(C)S(=O)(=O)N1CCN(C(=O)c2cn(Cc3ccccc3)c3ccccc23)CC1 25739161 PAHGONQSJXZOSQ-UHFFFAOYSA-N 426.542 2.254 0 40 IEAB CCCN(C(=O)CSc1nc2ccccc2c2nc(C)nn12)[C@H]1CCS(=O)(=O)C1 32871523 YGDBWRKDZCGRBP-AWEZNQCLSA-N 433.559 2.104 0 40 IEAB CN(C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(c1ccccc1)c1ccccc1 32969848 ALZCYXMMRRYMCA-VQTJNVASSA-N 426.538 2.270 0 40 IEAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2F)CC1 34856273 JRNTXVKXZGIRPR-QGZVFWFLSA-N 431.533 2.500 0 40 IEAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 34890464 XAWUXSNDHMCLSB-LJQANCHMSA-N 434.606 2.093 0 40 IEAB COc1ccc(CCN2C(=O)c3ccc(C(=O)NCCc4c[nH]cn4)cc3C2=O)cc1OC 36360861 ROJXHEGEJNEUGN-UHFFFAOYSA-N 448.479 2.238 0 40 IEAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 36386852 CJRFMLLUALJMAN-UHFFFAOYSA-N 440.544 2.180 0 40 IEAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 36569501 WAYPQJPVLILPNY-FOIQADDNSA-N 429.904 2.333 0 40 IEAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)N3CCCc4ccccc43)c2=O)CC1 49409118 BWMPQUWNTAEDNU-UHFFFAOYSA-N 429.542 2.248 0 40 IEAB O=C(CN1CCN(c2nnnn2-c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 57584492 QOQMFVOJRAZQNO-UHFFFAOYSA-N 447.421 2.322 0 40 IEAB CCOC(=O)c1sc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccc3)CC2)nc1C 61720785 ZMLOXRYULGWWRN-HNNXBMFYSA-N 445.545 2.487 0 40 IEAB CCCCN(C(=O)CN1CC[C@H]1c1ccccc1F)c1c(N)n(CCC)c(=O)[nH]c1=O 72308976 MRTKZFGXIMCSRG-KRWDZBQOSA-N 431.512 2.248 0 40 IEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)C2=O)cc1 89629897 YPJBLJJVPKKQRV-QMHKHESXSA-N 432.484 2.220 0 40 IEAB CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3cccc4nccnc34)C2)c1 95115954 FPTYGMYFYOJEOX-SFHVURJKSA-N 445.526 2.112 0 40 IEAB O=C(NCC(=O)N1CC[C@H](n2ncc3ccccc32)C1)c1ccc(N2CCCC2=O)cc1 96004841 LPRMUKBAGCIHNB-FQEVSTJZSA-N 431.496 2.367 0 40 IEAB COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1OC(F)F 101360953 NVTGHROWQSSRQK-STQMWFEESA-N 426.441 2.266 0 40 IEAB O=C(NCCSc1ncn[nH]1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 225848029 FRVDNWFIYQCMAO-UHFFFAOYSA-N 429.527 2.078 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C(=O)N1CCOCC1 408627010 XGYSRZDQYUQIDU-UHFFFAOYSA-N 447.532 2.117 0 40 IEAB NC(=O)C[C@@H](NC(=O)Oc1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1 409005158 ZMAOFYMDBKBHRJ-OAHLLOKOSA-N 449.257 2.208 0 40 IEAB Cc1noc(C)c1C(=O)N1CC[C@@]2(CCc3nnc(C(=O)NC4CCCC4)n3CC2)C1 585106931 LMYUGRUGEULWMB-JOCHJYFZSA-N 426.521 2.424 0 40 IEAB COc1ccc(C)cc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(C)(=O)=O 916641 LHBDIIAOLWEQEG-UHFFFAOYSA-N 435.521 2.258 0 40 IEAB Cn1c(=O)c(C(=O)COC(=O)c2cccc3ccccc23)c(N)n(Cc2ccccc2)c1=O 3448495 RWHKJCSRYKKUDL-UHFFFAOYSA-N 443.459 2.370 0 40 IEAB COC(=O)[C@@](NC(=O)C(F)(F)F)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F 3624394 UNWIXEPUHYXZDT-AWEZNQCLSA-N 425.285 2.083 0 40 IEAB CN(CC(=O)OCC(=O)c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 8631048 NVIMREJQOAIQGM-UHFFFAOYSA-N 425.846 2.115 0 40 IEAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 8922636 LGPLOCTWKCDCQG-UHFFFAOYSA-N 449.895 2.207 0 40 IEAB CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 9284892 RXAGHDDLWMEYBT-INIZCTEOSA-N 426.469 2.425 0 40 IEAB COc1ccc(CCNC(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1OC 9495966 YLPPNINMLNMWON-QFIPXVFZSA-N 443.525 2.208 0 40 IEAB Cc1cc(C)n2nc(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)nc2n1 9510145 CJIJEHQYTFHIIQ-UHFFFAOYSA-N 434.547 2.031 0 40 IEAB CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nccs3)[nH]c2=O)cc1 9518176 FSPGJFPQLYCBIJ-UHFFFAOYSA-N 446.514 2.190 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c1 9661040 RHHLOQQXMDZZHA-UHFFFAOYSA-N 433.461 2.045 0 40 IEAB O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 9715169 YAIBJTKMNSGHBD-UHFFFAOYSA-N 428.470 2.233 0 40 IEAB CCCCc1cnc2c(c1SCC(=O)Nc1nnc(CC)s1)c(=O)n(C)c(=O)n2C 10216938 YSGOJJDLMWAMMC-UHFFFAOYSA-N 448.574 2.120 0 40 IEAB Cc1cc(-c2cnc(C)nc2CCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)on1 12160130 JRHIOYPCYDMGIK-UHFFFAOYSA-N 447.492 2.110 0 40 IEAB O=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)Nc1ccc2c(c1)OCCO2 12231098 VMLLYYWSTBUVPQ-UHFFFAOYSA-N 440.427 2.469 0 40 IEAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1F 12767379 IILSXAKGPSVPEW-UHFFFAOYSA-N 434.489 2.442 0 40 IEAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C1CCCCC1 12781416 UBIIXCVUQKUFIG-UHFFFAOYSA-N 445.944 2.009 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NCc1ccccc1 13040197 RPPQROGHGOJELE-UHFFFAOYSA-N 441.475 2.328 0 40 IEAB COc1ccc(Cn2nnnc2S[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1 13128183 WZPJPGCXAMSJET-IBGZPJMESA-N 425.514 2.422 0 40 IEAB Cn1c(CNS(=O)(=O)c2ccc3c(c2)OCCO3)nnc1SCc1ccccc1 13565261 AHSAUEXCRHAWBK-UHFFFAOYSA-N 432.527 2.357 0 40 IEAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NC[C@H]1CCCO1 13566405 ZMHCXMVXTJTBDT-GOSISDBHSA-N 430.526 2.420 0 40 IEAB COC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 14467619 YIWIOCVTXLTTJZ-UHFFFAOYSA-N 438.889 2.400 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C 15634493 VNTFUUXBJNJVRU-UHFFFAOYSA-N 447.557 2.306 0 40 IEAB C[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1 17261861 MZIRIJXICFHTBD-LBPRGKRZSA-N 426.441 2.241 0 40 IEAB COCCOc1ccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)cc1OC 19593761 PYGNJLCBCBEQEY-UHFFFAOYSA-N 428.533 2.005 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3OC)C1)C2=O 19700032 QYGQAKCJLDSAGS-IBGZPJMESA-N 442.560 2.025 0 40 IEAB O=C(NC[C@@H]1CCCO1)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 20110265 XSBXRYBHBQQAJO-KRWDZBQOSA-N 445.379 2.286 0 40 IEAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20452219 KHTRKHROJVSFBI-NRFANRHFSA-N 437.606 2.233 0 40 IEAB COC(=O)c1cn(-c2ccccc2NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)nn1 23185187 UQUXKXNFRJEVNY-LJQANCHMSA-N 435.440 2.424 0 40 IEAB CCOc1ccc(Br)cc1S(=O)(=O)NC(=O)[C@H](NC(C)=O)C1CCCC1 59368799 YEXORNDMYJAMDM-MRXNPFEDSA-N 447.351 2.348 0 40 IEAB O=C(CN1C(=O)S[C@H]([C@H]2SC(=O)NC2=O)C1=O)Nc1cccc(C(F)(F)F)c1 65090498 FSMYRHPJVRPLDJ-NXEZZACHSA-N 433.389 2.060 0 40 IEAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2cc4c(cc2Cl)OCO4)C3)C[C@H](C)O1 72347292 AEFAJBFWWMOPGD-STQMWFEESA-N 432.908 2.324 0 40 IEAB Cc1nnc([C@H]2CCCN2CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)o1 84291447 HHCLBWMNYHZVKT-MRXNPFEDSA-N 441.941 2.447 0 40 IEAB CCCCS(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)Nc1ccccc1)Cn1ccnc12 96262952 MHKRMARIFIQFQA-GOSISDBHSA-N 432.546 2.342 0 40 IEAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCN(c3ncccn3)CC2)Oc2ccccc21 100180394 UYHFJLMGIQWKSW-MIVVTYSHSA-N 433.512 2.080 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3OC)CC2=O)c(OC)c1 138519089 HPZNLBMJLLDYAV-AWEZNQCLSA-N 428.441 2.247 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 257278725 ODJVBSPNQLRSHE-IBGZPJMESA-N 426.514 2.130 0 40 IEAB CN(C)[C@H]1CC2(CCN(Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC2)OC[C@]1(C)O 257344308 ZWNOTBHOKYPTRM-URXFXBBRSA-N 447.620 2.284 0 40 IEAB C[C@H](Oc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1)C(=O)N1CCOCC1 408588149 CQQGYTFUDAWXIF-HNNXBMFYSA-N 438.933 2.445 0 40 IEAB CN(C)[C@H](CNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccsc1 518417013 MMSYTKWLFWQCEJ-GOEBONIOSA-N 442.632 2.422 0 40 IEAB COCc1nc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)sc1C(=O)OC 556493903 MLDXFJKJJBHESR-LBPRGKRZSA-N 433.486 2.385 0 40 IEAB Cc1noc(C)c1C(=O)N1CCc2nc3n(c(=O)c2C1)[C@@H](CNC(=O)CC(C)C)CCC3 585110094 IHWXBMTVKCZXIA-MRXNPFEDSA-N 441.532 2.086 0 40 IEAB O=C(Cn1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)n1)N1CCOCC1 604953194 FOPYCXMVMBTRPT-UHFFFAOYSA-N 432.908 2.082 0 40 IEAB CC(=O)N1CC(C(=O)N2CCC3(CCCCc4ccccc4OCC(=O)N(C)C3)CC2)C1 2037949672 NZXNPPRLPVXIDX-UHFFFAOYSA-N 441.572 2.337 0 40 IEAB Cc1nnc(SCCCn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1 9001505 VZVWUKVSZWWEJH-UHFFFAOYSA-N 435.579 2.146 0 40 IEAB C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9184142 XNKMLYQZHDGCHQ-XLIONFOSSA-N 435.590 2.289 0 40 IEAB O=C(O[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1)C1CC1 9509333 JYFIANZTQFFGTR-FQEVSTJZSA-N 444.509 2.341 0 40 IEAB CN(C)CCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc1=O)CCCC2 9747308 HFQWDGQAKDOFRB-UHFFFAOYSA-N 444.557 2.186 0 40 IEAB COc1ccc(-c2nnc3n(Cc4cccc(C)c4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10968708 AUBYDRQLLRTPTO-UHFFFAOYSA-N 430.468 2.114 0 40 IEAB CN(C)[C@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1Cl 11998233 NPQQSGOXNJSJLB-GOSISDBHSA-N 435.933 2.439 0 40 IEAB CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccc2ccccc12 12290029 QQUFXKAQFPGZLU-DOJUMQAQSA-N 425.510 2.008 0 40 IEAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12993372 BVWOVJUHNYGVJA-SNVBAGLBSA-N 435.836 2.045 0 40 IEAB O=C(O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 13121150 BWAQWHHMKQFJJJ-HNNXBMFYSA-N 434.436 2.182 0 40 IEAB CC(C)NC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1ccccn1 13501426 LGWORDDNWKINHQ-UHFFFAOYSA-N 426.473 2.082 0 40 IEAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1 13691563 GNPSUKAPLXVNCK-UHFFFAOYSA-N 436.511 2.393 0 40 IEAB CC(C)CCN(CC(=O)N1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14246799 ZWLXQFDQJVJPIF-UHFFFAOYSA-N 427.549 2.032 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)c3ccccc3F)[nH]c2=O)C1 19347543 SKZWZABEMWZBJV-HXUWFJFHSA-N 447.470 2.480 0 40 IEAB CN(CC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(O)n2)CC1)Cc1cccnc1 19585717 HTWATHQREMHZRM-UHFFFAOYSA-N 435.532 2.029 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)c3ccc4c(c3)ncn4C)C2)ncc1C(=O)N1CCOCC1 19764100 MSAUMEJUDRZIPH-SFHVURJKSA-N 448.527 2.164 0 40 IEAB COc1ccccc1N1CCN(C[C@@H](O)COc2cc(OC)c(OC)c(OC)c2)CC1 21982927 KSQCNASWXSCJTD-QGZVFWFLSA-N 432.517 2.283 0 40 IEAB in-man COc1ccc(N(CC(=O)NCCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 22332618 DSEBDBYREOQNRQ-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB COc1ccc(CN2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cc1OC 23296205 HRTJYBRDFAXLFQ-UHFFFAOYSA-N 446.573 2.206 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)cc2)CC1 23682343 GGPCIWLQDZUKOC-YLJYHZDGSA-N 437.587 2.500 0 40 IEAB Cc1ccccc1-n1nnnc1SCC(=O)NCC1(N2CCOCC2)CCCCC1 23805596 YMWSISZSGYFLRP-UHFFFAOYSA-N 430.578 2.214 0 40 IEAB Nc1nc(COC(=O)[C@@H]2CCCN2C(=O)c2ccco2)nc(Nc2ccc(F)cc2)n1 24423577 PLDDYIYENUJZEZ-AWEZNQCLSA-N 426.408 2.278 0 40 IEAB O=C1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3N3CCCCC3)cc2)CCN1 24545578 DDGXSBIQFDRKNQ-UHFFFAOYSA-N 442.541 2.050 0 40 IEAB COc1cc(C(=O)N[C@H]2CCOc3ccccc32)ccc1OCC(=O)N1CCOCC1 24646183 WIJOHQITDODJMC-SFHVURJKSA-N 426.469 2.186 0 40 IEAB CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 26109740 MJHYBNHZGCQZPY-CQSZACIVSA-N 434.389 2.309 0 40 IEAB CC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1 28049097 RKVDQOZYGFAGOI-UHFFFAOYSA-N 444.513 2.023 0 40 IEAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3nccs3)CC1)C2=O 29612229 GPXNCNTVLDPHPF-UHFFFAOYSA-N 433.578 2.319 0 40 IEAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2SC(F)F)c1=O 32810218 RZWYLURUURGDFS-UHFFFAOYSA-N 439.488 2.073 0 40 IEAB O=C(CCn1ccc2ccccc21)NCc1ccccc1S(=O)(=O)N1CCOCC1 40024513 MZLBSPMTTMZXBV-UHFFFAOYSA-N 427.526 2.369 0 40 IEAB COC(=O)c1cnc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)N2CCOCC2)c1 40153532 RJALWUXBNOJIMT-UHFFFAOYSA-N 445.541 2.273 0 40 IEAB COC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1C 44885758 BAFDUUSDCGQPIK-UHFFFAOYSA-N 432.498 2.196 0 40 IEAB COc1cccc(C[C@H](C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)n2nnnc2C)c1 48366553 GZDFQOXXXNITKQ-AZUAARDMSA-N 446.515 2.223 0 40 IEAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2cc(-n3cnnn3)ccc2C)C(C)C)c1 59284178 VPPGRPLQROEWRK-FQEVSTJZSA-N 438.488 2.381 0 40 IEAB CCOC(=O)c1cnc(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c(Cl)c1 84798481 CZLNUIFUAZLAQK-OAHLLOKOSA-N 436.940 2.071 0 40 IEAB COc1ccc([C@@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccccc5)CC4)c3CO2)cc1 97943591 FMHABINXIQAZHV-NRFANRHFSA-N 447.495 2.156 0 40 IEAB Cc1nc2cc([C@@H]3CCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)nn2c(O)c1C 100138704 DOEDHZUWNITDJG-SFHVURJKSA-N 428.514 2.361 0 40 IEAB Cc1cc(C)cc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1 224713660 HGEMJQKINHUAGG-UHFFFAOYSA-N 445.585 2.218 0 40 IEAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 224844620 CXOVYLAFHLIEAT-UHFFFAOYSA-N 449.481 2.311 0 40 IEAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 225785856 SFYXWSUZFIRUGE-CQSZACIVSA-N 448.497 2.103 0 40 IEAB CCn1nc([C@@H](C)C(=O)N2[C@H]3CC[C@H]2Cc2c(O)nc(C)nc2C3)c2ccccc2c1=O 247969556 RQGCFOASUHLCHF-KBMXLJTQSA-N 433.512 2.482 0 40 IEAB Cc1ncc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)cn1 257276952 NVWIUEQTMRVUED-LSQMVHIFSA-N 437.588 2.004 0 40 IEAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2nnc(SC)s2)S(C)(=O)=O)c1 260741108 GAKCFUAAAALILE-SECBINFHSA-N 432.549 2.070 0 40 IEAB COc1ccc(C)cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 260842854 XZRQLOMNVLXIHN-OAHLLOKOSA-N 434.514 2.418 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 408598007 YRQPNVYCJNFEBW-OAHLLOKOSA-N 437.949 2.364 0 40 IEAB Cn1c(O)nc2ncc(-c3cccc(C(=O)NCc4nnnn4-c4ccccc4)c3)cc21 681221460 BAHFABQPURHYIK-UHFFFAOYSA-N 426.440 2.247 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@]2(CCCN(c3ncccn3)C2)C1 2056223888 GHGZDDKKCNLWHV-OAQYLSRUSA-N 430.530 2.319 0 40 IEAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc2ccccc2c1 3366348 CYPRFXFQFGRTHV-JOCHJYFZSA-N 449.532 2.478 0 40 IEAB CCCS(=O)(=O)N1CCC[C@@H](c2nc(O)c3nnn(Cc4ccc(F)cc4)c3n2)C1 6161912 GWSDIWSKLXPWHA-CQSZACIVSA-N 434.497 2.034 0 40 IEAB CC(C)N(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 8710315 VZYMIVUSLTYFEW-UHFFFAOYSA-N 426.516 2.288 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1 9436295 HPIIDSBKNIWMGC-UHFFFAOYSA-N 433.461 2.004 0 40 IEAB COc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 9569817 MSMPNZDDNUUJLE-UHFFFAOYSA-N 437.949 2.230 0 40 IEAB O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NCCN1CCCC1 9831268 ZCRCDDWOXDJZDD-UHFFFAOYSA-N 444.539 2.237 0 40 IEAB Cc1coc2cc3oc(=O)c(CCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)c(C)c3cc12 11865410 QHDQQLNDZGQXNY-OAQYLSRUSA-N 442.468 2.430 0 40 IEAB biogenic COC(=O)C1=C(Cn2ccc(C(F)(F)F)n2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 12371253 AXBVQMHZURIHOA-INIZCTEOSA-N 440.378 2.400 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cn3ncc4ccccc4c3=O)CC2)c(C)c1 12865230 SYMCTEUEQDBSLH-UHFFFAOYSA-N 426.542 2.286 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 13554386 NADIQAMWQNCJAE-HOIFWPIMSA-N 443.544 2.354 0 40 IEAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N2CCN(C=O)CC2)cc1 13631835 HDFGVVIBTIJYAW-UHFFFAOYSA-N 435.933 2.220 0 40 IEAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1nc(-c2cccs2)no1 14167763 OCBAQJLXVCFKLQ-UHFFFAOYSA-N 434.499 2.261 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2c(=O)cnc3ccccc32)c1 15317980 FGFLDTIYODBSNY-UHFFFAOYSA-N 444.513 2.074 0 40 IEAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 19587207 WHZWQEVKBRYICN-LVXARBLLSA-N 448.567 2.466 0 40 IEAB COc1ccc(C(=O)O[C@H](C)CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 19638423 GWFAJUZWFACUSA-MRXNPFEDSA-N 443.525 2.007 0 40 IEAB COc1cccc(C(=O)N2CCC[C@@H](N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)C2)c1 19699766 MKRHQJMWBCGRCT-LJQANCHMSA-N 442.560 2.342 0 40 IEAB COc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cc1 20744317 CYGUQZBWKBEEPN-UHFFFAOYSA-N 437.905 2.143 0 40 IEAB CCCCn1c(N)c(N(CCC(C)C)Cc2cc(=O)n3cccc(C)c3n2)c(=O)[nH]c1=O 22991285 HKNAACKOFYSRHK-UHFFFAOYSA-N 440.548 2.288 0 40 IEAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(S(=O)(=O)N2CCCCC2)CC1 24755802 GDWQYTRQARNFEJ-UHFFFAOYSA-N 442.390 2.030 0 40 IEAB C[C@H]1Cc2cc(C(=O)N3CCN(C)c4nc5ccccc5nc43)ccc2N1S(C)(=O)=O 25091437 DCRRKTUBYJVTPJ-AWEZNQCLSA-N 437.525 2.437 0 40 IEAB COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccc(C)cc1 25457866 WIQRNJAIJQDZOP-MBSDFSHPSA-N 441.459 2.322 0 40 IEAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1 32724132 UTNMVUGJDVXKMA-NRFANRHFSA-N 439.537 2.199 0 40 IEAB CCCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C 35312958 YZOQHZWGTKSESL-UHFFFAOYSA-N 439.900 2.367 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nc(N3CCCC3)ncc2Cl)C1=O 40152731 QMJPBYCZYZAREB-OAQYLSRUSA-N 442.907 2.318 0 40 IEAB O=C(Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)Nc1ccccc1C(F)(F)F 49408948 JVNHGLJGQSMWOM-UHFFFAOYSA-N 429.420 2.290 0 40 IEAB COc1cccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)c1 71328386 NDZRMENQFYYBHY-UHFFFAOYSA-N 449.423 2.439 0 40 IEAB Cc1ccccc1CCNC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326346 HPANBDQIBCPLPP-MZNJEOGPSA-N 435.528 2.002 0 40 IEAB COCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)cc(=O)[nH]2)CC1 72399238 XKRGXXZOLRPFEJ-PKOBYXMFSA-N 442.560 2.185 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96103383 MQGOEBUSKXFHPK-HXUWFJFHSA-N 448.566 2.160 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2nc(-c3cccs3)no2)Oc2ccccc21 218795983 CECRYNAJRVARNQ-AWEZNQCLSA-N 434.499 2.032 0 40 IEAB C[C@@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222723683 PWSLJWQQQYUNIL-GFCCVEGCSA-N 426.441 2.379 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 222936240 VWCUKKMRQOIEJJ-HXUWFJFHSA-N 447.557 2.015 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 224354994 VRUQMVABQOOXEQ-MRXNPFEDSA-N 447.557 2.131 0 40 IEAB COc1ccccc1OCCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 225141969 CWRJNDYQVIEZQQ-UHFFFAOYSA-N 426.922 2.305 0 40 IEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCCN1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 253596383 QRNRQACHRGPSAP-NZUPQLOKSA-N 427.545 2.170 0 40 IEAB COc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 260813114 PSCQVFFRGFCBBC-HOTGVXAUSA-N 436.530 2.442 0 40 IEAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3nccs3)C[C@@H]2N1Cc1ccccc1 306137310 QSKYBBBQYFVCFN-DLBZAZTESA-N 428.539 2.374 0 40 IEAB COC(=O)c1cn([C@H]2CCN(C(=O)c3ccc4c(C)nn(-c5ccccc5)c4n3)C2)nn1 544825467 HWFZWVXSJXPFOA-INIZCTEOSA-N 431.456 2.194 0 40 IEAB Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585286422 OTDSGPZFQZHWFS-QFIPXVFZSA-N 448.951 2.175 0 40 IEAB COc1ccc(CN2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)cc1 643564734 CJONMSNUMGMIKC-OALUTQOASA-N 431.577 2.487 0 40 IEAB C=CC(=O)Nc1cccc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 1135915184 AZSIIJUKIDZSCS-UHFFFAOYSA-N 431.489 2.487 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCNc3ccc4nnc(C(F)(F)F)n4n3)n2)cc1 1775973668 QFRQXZSSIZYPJZ-UHFFFAOYSA-N 431.378 2.488 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCC(COc3cccc(C(F)(F)F)n3)CC2)CC1 1775995066 XMKHKQDDSZSEPG-UHFFFAOYSA-N 449.495 2.389 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3CC[C@H](COc4ccc(C5CC5)nn4)C3)ccc2N1 1888897761 FEBRMDCSMZKPCR-AWEZNQCLSA-N 428.514 2.328 0 40 IEAB COCCNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4082673 GSETZVKGSMDGJJ-MBSDFSHPSA-N 426.517 2.381 0 40 IEAB biogenic CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=S)NCCCN(CC)CC)cc2c1 6193103 TXRAGWXOXQSCPT-UHFFFAOYSA-N 434.606 2.328 0 40 IEAB Cn1c(CCC(N)=O)nnc1S[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O 8723756 OSVGRSIZNAESDL-AWEZNQCLSA-N 435.937 2.200 0 40 IEAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)N1CCN(c2ccccc2)CC1 8780509 KSTCKUFELDRDTR-UHFFFAOYSA-N 446.598 2.307 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)c(F)c1 9548973 QTULSXUDJOGWOD-WNSKOXEYSA-N 444.507 2.178 0 40 IEAB O=C(CCN1CCSC1=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 9595578 TYAAKGZYCLRLNA-UHFFFAOYSA-N 447.948 2.093 0 40 IEAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 9634359 PDURWMFQAPEECV-CZUORRHYSA-N 430.404 2.190 0 40 IEAB O=C(NCCCc1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9756213 IPIJTIISHUSYAA-UHFFFAOYSA-N 441.557 2.353 0 40 IEAB CCc1ccc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 10660822 NOFAOMZPYDSLBQ-UHFFFAOYSA-N 433.530 2.350 0 40 IEAB O=C(CN1CCC(NS(=O)(=O)c2cccs2)CC1)NCCc1c[nH]c2ccccc12 10988946 UJIHUJNZESYADM-UHFFFAOYSA-N 446.598 2.331 0 40 IEAB COc1ccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c(OC)c1OC 12506233 BBPZXXIHBCSZTJ-IBGZPJMESA-N 425.445 2.320 0 40 IEAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N 12705171 PYLFEJPUWZVTLD-NSHDSACASA-N 435.575 2.366 0 40 IEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(C)o2)CC1 12750217 JEFFHYBKKALSKD-UHFFFAOYSA-N 434.514 2.434 0 40 IEAB CCOc1c(Br)cc(C(=O)OCc2nc(N)nc(N(C)C)n2)cc1OC 12930390 DVHYCSXJZZBABA-UHFFFAOYSA-N 426.271 2.047 0 40 IEAB CCN1C(=O)/C(=c2\sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)c2ccccc21 13513747 MMPFRMKVKZCUFJ-ZCXUNETKSA-N 434.477 2.120 0 40 IEAB COc1ccc(CCNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC 14085577 NLPXZKIQMJVRFK-UHFFFAOYSA-N 426.922 2.482 0 40 IEAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1cccc(Br)c1 14188002 DGMXCSJIIYCAIB-XOBRGWDASA-N 447.285 2.419 0 40 IEAB COCCN1C(=O)C(=O)N(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1=O 14234496 COXAGAPFAQJDEA-UHFFFAOYSA-N 447.495 2.366 0 40 IEAB CC(C)[C@H](CO)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19445325 DTWDAUUJFUZEDK-QFIPXVFZSA-N 434.540 2.202 0 40 IEAB COc1ccc(CN2CCc3c(O)nc([C@@H]4CCN(C(=O)c5cnccn5)C4)nc3C2)cc1 19555657 GPUPHHGGFYNINQ-QGZVFWFLSA-N 446.511 2.169 0 40 IEAB Cc1c(S(=O)(=O)N2CCO[C@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)cnn1C 19697836 SXOREGGQXVKYCS-HNNXBMFYSA-N 448.570 2.407 0 40 IEAB CCN1CCC(CC(=O)N2CCC[C@H]2c2nc3c(c(NC)n2)CN(C(C)=O)CC3)CC1 19710809 SXMIQYYYDPXOGF-FQEVSTJZSA-N 428.581 2.208 0 40 IEAB Cc1cnc(C(=O)N2CC[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)cn1 19761327 LKFGJDUUHKWGAW-KRWDZBQOSA-N 431.496 2.435 0 40 IEAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2cc3c(cc2Br)OCCO3)C1 22058050 WHBKMUYIFGMDKW-LBPRGKRZSA-N 427.295 2.434 0 40 IEAB Cn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nc2cc(S(N)(=O)=O)ccc21 32946533 GPLPIZPJCIFUKF-UHFFFAOYSA-N 448.526 2.113 0 40 IEAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2CN1 35485242 MOTHUJKQNSAOTL-OYDLWJJNSA-N 446.551 2.205 0 40 IEAB biogenic COc1ccc(C(=O)NCCCCN2C[C@@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N(C)C 40108504 CUDCYLZOOXDZIK-CALCHBBNSA-N 425.595 2.433 0 40 IEAB CN(C)c1nc2cc(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)ccc2o1 89326902 OJLFCNROMXBFSB-UHFFFAOYSA-N 428.514 2.182 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96099587 MRDAOXJAYMRFQF-JJTKIYQPSA-N 437.521 2.392 0 40 IEAB Cc1cc(C(=O)N2CCC3(CC2)O[C@H](C(=O)NCc2ccccc2)Cn2ccnc23)no1 96144700 OSRWGENGHXONEW-IBGZPJMESA-N 435.484 2.026 0 40 IEAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCCN1C(=O)S/C(=C/c3ccccc3)C1=O)CS2 96585717 JPNQDLUKJCIILE-YPNYFETDSA-N 431.539 2.293 0 40 IEAB C[C@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccccc1F)S(C)(=O)=O 220306278 LISUGPCMJQUNDL-CYBMUJFWSA-N 443.522 2.015 0 40 IEAB C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222738436 BRJDFRZYFSPOJH-SFHVURJKSA-N 435.590 2.302 0 40 IEAB Cc1n[nH]c(SCCNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 222888999 XPWJAUJHQIICII-UHFFFAOYSA-N 437.591 2.129 0 40 IEAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c(OC)c1 223870116 IFVBEDWHVWPWSE-UHFFFAOYSA-N 434.514 2.427 0 40 IEAB O=C(NCCOCc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 224105671 XNKHQVSSEKESJU-UHFFFAOYSA-N 438.933 2.308 0 40 IEAB COc1cccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 224416649 UJOMOCHNCYGULR-UHFFFAOYSA-N 448.541 2.444 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCC1(c3ccccc3)CCOCC1)O2 260793431 JKRLCYNUJCYIQD-OAQYLSRUSA-N 444.553 2.387 0 40 IEAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)C1=O 408549618 VTIDAHDCPMMJQL-CXUHLZMHSA-N 440.408 2.038 0 40 IEAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1 408660793 VIBQTKAYVWRWTO-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB CC(C)[C@@H](C(=O)OCC(=O)N[C@@H](C)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408668776 VMCLJVBGLQDUGZ-YLPRBDKHSA-N 426.513 2.463 0 40 IEAB O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cn1 3445221 BJDDXGLTTYTMGE-UHFFFAOYSA-N 432.285 2.239 0 40 IEAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 3464635 LXLQGHCHBZJOJU-OAQYLSRUSA-N 447.394 2.100 0 40 IEAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N(C)Cc3ccccc3)=C2)cc1OC 8587777 MUJHJGXSOPMTCC-UHFFFAOYSA-N 429.498 2.226 0 40 IEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N(C)Cc1nc3ccccc3c(=O)[nH]1)C2=O 8965515 IZIYRWYHQVRMHC-FATZIPQQSA-N 439.516 2.018 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)C(=O)O2)cc1 9072185 RCZRBWXQZGJASB-INIZCTEOSA-N 437.905 2.346 0 40 IEAB CC1(C)NC(=O)N(CC(=O)OCC(=O)NCCC(c2ccccc2)c2ccccc2)C1=O 9388356 HZJSILAIJHOZQL-UHFFFAOYSA-N 437.496 2.198 0 40 IEAB C[C@]1(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)CCS(=O)(=O)C1 9415805 DZYKHTRKBREHDK-FQEVSTJZSA-N 446.554 2.372 0 40 IEAB Cc1ccccc1CNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 9747230 BAIZBMGYRPMCGW-GOSISDBHSA-N 449.598 2.422 0 40 IEAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)ncn3n2)cc1 11666440 NDHFAEGWOHOHIJ-UHFFFAOYSA-N 433.424 2.324 0 40 IEAB O=C(CN1CCOc2ccccc2C1)N1CCC[C@H](CNS(=O)(=O)c2cccs2)C1 12299138 AGZDMUSAIIYJMK-QGZVFWFLSA-N 449.598 2.160 0 40 IEAB C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccc(-n2ccnc2)cc1 12580539 ZTQWLSQHKJVLBT-INIZCTEOSA-N 427.530 2.486 0 40 IEAB Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12761282 SNVAGKMZBMUROP-UHFFFAOYSA-N 431.345 2.490 0 40 IEAB O=C1CCCN1CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 12807862 HBWPNBSUOSLKAX-UHFFFAOYSA-N 425.860 2.245 0 40 IEAB C[C@@H](C(=O)N(C)C1CCCCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12888028 OLPXQQGLOHKBIE-HNNXBMFYSA-N 429.533 2.451 0 40 IEAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)CC1 13038699 FZTWOMYXHWFAEY-UHFFFAOYSA-N 448.372 2.118 0 40 IEAB CSc1nnc(C2CCN(CC(=O)Nc3ccccc3N3CCOCC3)CC2)n1C 13565115 XCVUGRBMKYFRQO-UHFFFAOYSA-N 430.578 2.192 0 40 IEAB Cc1cc(C)[n+](CCOC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2Cl)c(C)c1 15772587 OMRHMQREOPKGAB-UHFFFAOYSA-N 441.957 2.425 0 40 IEAB CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2)nc2c1CCN(C(C)=O)C2 19708445 YMQANYIGPUWNTO-IBGZPJMESA-N 429.546 2.339 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 19709632 ILERKZQXRMRGGV-INIZCTEOSA-N 449.552 2.228 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 20677691 RTLGIERXEPQXRR-HNNXBMFYSA-N 439.472 2.001 0 40 IEAB O=C(Nc1ccc2c(c1)OCO2)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 21150476 PPJHNWKLQDSQGO-UHFFFAOYSA-N 441.879 2.394 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 22537323 VTILLDIWXHHRIB-INIZCTEOSA-N 436.505 2.411 0 40 IEAB COc1ccc([C@@H](CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)N2CCCC2)cc1 23673399 KZYFMKRKBAWRJZ-QHAWAJNXSA-N 425.529 2.290 0 40 IEAB NC(=O)c1ccc(N2C(=O)N=C(O)[C@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1 25185397 DDMCZWSOIGUACF-VGOFRKELSA-N 436.493 2.373 0 40 IEAB CCN(C(=O)CCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 33538790 SCAYPHNGUKOZKH-YLQKULKDSA-N 440.518 2.288 0 40 IEAB COc1cc(C(=O)N[C@@H](C)C(=O)Nc2cnc3c(c2)c(C)nn3C)cc(OC)c1OC 40040251 JYHWRLPJGGCQKN-LBPRGKRZSA-N 427.461 2.060 0 40 IEAB O=C(CCN1CCO[C@H](c2ccc(Cl)cc2)C1)NN1C(=O)NC2(CCCCC2)C1=O 40154715 HRMCFXKERDZAAO-KRWDZBQOSA-N 434.924 2.389 0 40 IEAB CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccccc3)CC2)ccc1Cl 58158751 NOSADEAMGGURNG-UHFFFAOYSA-N 436.965 2.351 0 40 IEAB C[C@@H](CCc1ccco1)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 72326050 BXXUKIMWEOBJAT-QMHKHESXSA-N 425.485 2.248 0 40 IEAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CO)c1ccccc1 79019870 MEBKKBCPVDGIMB-HKUYNNGSSA-N 429.542 2.176 0 40 IEAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 79484785 VSWVOJJIZOBFCX-UHFFFAOYSA-N 426.521 2.087 0 40 IEAB C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)NCc2ccncc2)[C@H]1C(=O)NCc1ccncc1 100220623 IOZOCPUMCLTJFT-ZZYHAFTGSA-N 443.507 2.127 0 40 IEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]c1=O 104004778 GLVFFPHLFWNMRO-OKZBNKHCSA-N 426.517 2.125 0 40 IEAB COc1ccc(S(=O)(=O)NCc2c(OC)cccc2OC)cc1C(=O)N1CCCC1 223870273 MAFOTXDZIBZUTE-UHFFFAOYSA-N 434.514 2.427 0 40 IEAB COCCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 225213871 KWVANRFWNCKOIE-UHFFFAOYSA-N 425.319 2.412 0 40 IEAB Cc1cc(C(=O)N2CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)nc(N(C)C)n1 257277652 NYVURMPNPLCQLB-NRFANRHFSA-N 446.511 2.226 0 40 IEAB O=C(NCCN1CCOCC1)c1nc([C@H]2CCCN2Cc2ccccn2)n2ccccc12 306142353 WWSWSOFQAVTXTR-OAQYLSRUSA-N 434.544 2.128 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccco4)o3)CC2)cc1 2633411 SLAHWFZDSFBQEQ-UHFFFAOYSA-N 448.526 2.263 0 40 IEAB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 3334607 NGXOWHXMWMPITR-UHFFFAOYSA-N 442.501 2.113 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1 8650621 CIUCVJZSFRTYJX-KRWDZBQOSA-N 430.526 2.132 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1C 8718999 HZNFDOPQDUZSEY-UHFFFAOYSA-N 425.514 2.031 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)c2csc(NC(=O)Nc3ccccc3)n2)cc1 9317539 WLMVTGOXCQERJP-UHFFFAOYSA-N 445.526 2.407 0 40 IEAB Cc1nc(SC[C@@H]2COc3ccccc3O2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 9318379 IAUZHYSPOPTGTF-AWEZNQCLSA-N 428.514 2.387 0 40 IEAB Cc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1 9410031 OEFUAEZWSQHWHT-SFHVURJKSA-N 436.560 2.479 0 40 IEAB O=C(C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)N1CCN(c2ccccn2)CC1 9463434 XNJNWFVNUDVYDI-YBFXNURJSA-N 440.569 2.443 0 40 IEAB CCN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)C(=O)C1=O 9599712 QZXSNHCHYDQKCP-QGZVFWFLSA-N 428.489 2.256 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)NCc4ccc(C)cc4)[C@H]3C2=O)cc1Cl 9675095 OVWBGISCGRDQHF-RTBURBONSA-N 441.875 2.267 0 40 IEAB Cc1cc2occ(CC(=O)OCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)c2cc1C 9701133 KPQIJEVFVNDQSO-UHFFFAOYSA-N 441.484 2.117 0 40 IEAB CCN(CC)C(=S)SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 9883749 BJIQHTZMQWXKRG-UHFFFAOYSA-N 445.632 2.314 0 40 IEAB COc1ccc2oc(C(=O)OCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)c(C)c2c1 10022182 RTTHYLIFDZCZAY-UHFFFAOYSA-N 443.456 2.439 0 40 IEAB CC(C)[C@@H](C)NC(=O)COC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11052900 HKHBAWMBVKWZHW-GFCCVEGCSA-N 442.442 2.063 0 40 IEAB COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1NC(C)=O 11615640 MLHDMUPSYQACCH-UHFFFAOYSA-N 430.486 2.252 0 40 IEAB CCN(CC)C(=O)Cn1nc2n(CC(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc3n2c1=O 12117649 ORJKKHNEOQCLCE-IRXDYDNUSA-N 440.548 2.014 0 40 IEAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1 12412534 WEAGPTPURRRNJG-HDICACEKSA-N 442.472 2.069 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 13109453 GWKAADBCCLABLR-VMPITWQZSA-N 441.553 2.025 0 40 IEAB CCN(CC)C(=O)Cn1c(=O)n(CCC(=O)Nc2ccc(F)cc2)c(=O)c2sccc21 13592698 JOSVRKCZJCKJRS-UHFFFAOYSA-N 446.504 2.261 0 40 IEAB CN1C[C@H](C(=O)N2CCC([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)CC1=O 19587171 SUSXODIURCTLPR-XMSQKQJNSA-N 438.503 2.409 0 40 IEAB CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)Cn2cncn2)CC1 19700214 PKSMEGUTNVCIOQ-UHFFFAOYSA-N 432.528 2.280 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1cccc(C)c1)C(=O)C2 19739610 GBWUUWGULGTKAO-OAQYLSRUSA-N 449.555 2.415 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3C(=O)CN(C)C)nc2C)c1 19753998 KQUNSUFJZRPLSD-HXUWFJFHSA-N 425.533 2.339 0 40 IEAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NC3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 19877484 LOYWPMPAXDARQZ-OAQYLSRUSA-N 449.507 2.390 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)CC1 20061750 YXZYQIHGCMNNOX-UHFFFAOYSA-N 437.562 2.330 0 40 IEAB Cc1cccc(NC(=O)CN2CCN(CN3C(=O)NC4(CCCCC4)C3=O)CC2)c1C 22785808 ZDMDBQIYBJQKIR-UHFFFAOYSA-N 427.549 2.072 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc4c(c3)CCC4)CC2)cc1 23109821 RPBYMMKTUXVUSF-NRFANRHFSA-N 430.570 2.230 0 40 IEAB O=C(CCn1nc(-c2cccs2)oc1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 25049262 WSLWOSOYFQAIKF-UHFFFAOYSA-N 442.497 2.028 0 40 IEAB COC[C@@H](C)N(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 32915702 WGBJVBNIERAGEM-CHWSQXEVSA-N 448.438 2.491 0 40 IEAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)C1 35344054 DPBSGVPVEAJXGW-OALUTQOASA-N 426.561 2.076 0 40 IEAB COc1ccc(NC(=O)C(F)(F)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 40114735 COADLWKFOOLOQT-UHFFFAOYSA-N 426.441 2.447 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2F)nc1 40152168 PWDFEPNZPBEKQN-UHFFFAOYSA-N 443.522 2.054 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)NCCC(=O)N(CC)CC)c(Br)c1 48309455 QLWKSXQKTKAHMK-UHFFFAOYSA-N 435.340 2.163 0 40 IEAB O=C(Cn1nc2c(Sc3ccccc3)nccn2c1=O)Nc1ccc2c(c1)OCCO2 49008790 NSRWNMSNHVTMOH-UHFFFAOYSA-N 435.465 2.452 0 40 IEAB NC(=O)c1c(NC(=O)CCN2CCC(C(=O)N3CCCC3)CC2)sc2c1CCCC2 70007266 QTXCGLQACUCCKX-UHFFFAOYSA-N 432.590 2.389 0 40 IEAB Cc1cnccc1CN1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccnc2)CC3)CC1 72398755 OGSWPZHRIVGOHZ-UHFFFAOYSA-N 444.539 2.446 0 40 IEAB COc1cc(CNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc(OC)c1OC 220485917 ARSYZFJVFZKBKL-CYBMUJFWSA-N 440.493 2.322 0 40 IEAB Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1N(C)S(C)(=O)=O 222451289 RZYISYHWHIMNKB-UHFFFAOYSA-N 428.514 2.441 0 40 IEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3CN3CCOCC3)ccc21 223046593 MEVNKLHCRDRQDQ-UHFFFAOYSA-N 443.569 2.296 0 40 IEAB COc1ccccc1OC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 223318074 FPGXMQSUDVZVEB-CQSZACIVSA-N 448.497 2.103 0 40 IEAB Cc1c(C(=O)NCc2cccc(CN3CCOCC3)c2)cccc1N(C)S(C)(=O)=O 224750104 CTARVEJCHPEXRF-UHFFFAOYSA-N 431.558 2.153 0 40 IEAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)CC1 224928814 MFGYWVWYCATEKH-UHFFFAOYSA-N 428.558 2.475 0 40 IEAB CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)c1cccc(OCCCN)c1 257309475 UBBPXIIGIXBSDQ-UHFFFAOYSA-N 449.555 2.461 0 40 IEAB O=C(NC[C@H]1CC[C@@]2(COCCN(c3ccnc(C(F)(F)F)n3)C2)O1)c1cccnc1 306140666 VADAZOGZRRJKBH-DNVCBOLYSA-N 437.422 2.075 0 40 IEAB CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NCc3coc4ccccc34)ccc21 551249223 MAEKUKRJWLUEMX-UHFFFAOYSA-N 435.484 3.019 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889168594 CGIKTFTTYMRVFL-UKRRQHHQSA-N 429.468 2.350 0 40 IEAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2Br)cc1OC 982635 JQJLONUBYFJUEU-UHFFFAOYSA-N 429.292 2.383 0 40 IEAB O=C(NCCCOC1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 6988881 LEEWATZNFJYVPU-UHFFFAOYSA-N 428.526 2.316 0 40 IEAB Cc1ccc(C)c(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCC(C)C)CC2)c1 8973581 MFEKBAVSLCTJFC-UHFFFAOYSA-N 438.576 2.408 0 40 IEAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N[C@@H](CO)Cc3ccccc3)C2=O)c1 9215845 KYRGBVBNJZXGJR-UEXNTNOUSA-N 426.494 2.451 0 40 IEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OCC(=O)O 9261185 NGKJGZQVZCXKCD-WUXMJOGZSA-N 429.834 2.411 0 40 IEAB Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1C1CC1 9365997 BVBIZTZBTBQQIB-NTEUORMPSA-N 447.586 2.158 0 40 IEAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)NCc1ccc(F)cc1 9761855 RYOMRWOGPBFKBL-UHFFFAOYSA-N 425.416 2.244 0 40 IEAB COc1cc2nc(CSCC(=O)NC[C@H](O)c3ccccc3)[nH]c(=O)c2cc1OC 11866081 WUSRIWXIRGJUBZ-INIZCTEOSA-N 429.498 2.023 0 40 IEAB COCCCN(C(=O)c1c(F)cccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12776793 GFBMTSILQUPFSS-UHFFFAOYSA-N 444.438 2.129 0 40 IEAB O=C(C[C@H]1N=C(N2CCN(Cc3ccccc3)CC2)NC1=O)Nc1ccc(Cl)cc1 13719452 LKTJXGBJPHJAPE-LJQANCHMSA-N 425.920 2.341 0 40 IEAB O=C([C@@H]1CN(C(=O)Cn2nc(-c3ccccc3)oc2=O)c2ccccc2O1)N1CCCCC1 14237728 DSCGRXGXCLRTIG-FQEVSTJZSA-N 448.479 2.310 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 16072966 AZAIAAIJDOJWHT-HNNXBMFYSA-N 430.482 2.076 0 40 IEAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)CC1 19085347 UIRSYTPTSXCBAT-KRWDZBQOSA-N 438.532 2.354 0 40 IEAB CN(C)C[C@@H]1CN(S(=O)(=O)Cc2ccccc2F)C[C@H]1c1ccnc(N2CCCC2)n1 19583343 QMOLJLRJDAIKAP-RTBURBONSA-N 447.580 2.323 0 40 IEAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 19591362 AIGQURRXXSJXBF-WZONZLPQSA-N 425.554 2.401 0 40 IEAB CNc1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 19697479 NBBYHOFMUDJCNI-INIZCTEOSA-N 441.507 2.388 0 40 IEAB CNc1nc([C@@H]2CCCN(C(=O)CC3(NC(C)=O)CCCCC3)C2)nc2c1CN(C)CC2 19710450 AHAXZXNYGUVBPS-GOSISDBHSA-N 442.608 2.441 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CCS(=O)(=O)Oc2ccccc2)C1=O 21558715 VNIMGWSLLLGSNW-OAQYLSRUSA-N 446.481 2.024 0 40 IEAB C/C=C/c1ccc(OCC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(OC)c1 24635456 YEOZOKMPBHOBTO-HWKANZROSA-N 442.468 2.228 0 40 IEAB CCCCn1nc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 27312216 DUJBGQPSTOQYHN-UHFFFAOYSA-N 445.497 2.080 0 40 IEAB CC(C)CN(C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@@H]1CCS(=O)(=O)C1 27333176 RLVGBLBYFIKSQO-LLVKDONJSA-N 447.340 2.261 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 27395472 SBTBASPRBZDIMV-UHFFFAOYSA-N 431.514 2.100 0 40 IEAB CC(C)CC(=O)N1CCC(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 48375269 KEDYXDZRHQQNCE-UHFFFAOYSA-N 449.495 2.294 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)c(OC)c1 49580864 TWTFTOKKXVZYPQ-GOSISDBHSA-N 437.496 2.041 0 40 IEAB Cc1ccccc1N1CCN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 57270690 SCMKFQZNZFRNEE-IBGZPJMESA-N 447.626 2.394 0 40 IEAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccc(SC)cc1 67286908 ZIXRQNXYQKIFKX-LJQANCHMSA-N 447.557 2.419 0 40 IEAB CC1(C)O[C@H]2O[C@H](CN(CC(=O)O)Cc3ccc(OCc4ccccc4)cc3)[C@H](O)[C@H]2O1 73633165 ZZBRVENLEWMENI-CWKRKGSWSA-N 443.496 2.390 0 40 IEAB COc1ncccc1CNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 95444219 DFZFPBAGCDHAON-FQEVSTJZSA-N 448.527 2.297 0 40 IEAB CN(C(=O)/C=C/C(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)C1CCCCC1 95948212 UMRITEKEJASDBP-ZHACJKMWSA-N 430.524 2.256 0 40 IEAB O=C(O)[C@@H]1[C@H]2O[C@@H](C(Br)=C2Br)[C@@H]1C(=O)Nc1ccc(O)cc1 100352157 WFONNECOASBXLL-IWXIMVSXSA-N 433.052 2.430 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102817927 IBVMBBMYHBTRJM-MQVHAOHTSA-N 432.517 2.306 0 40 IEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1O 214271225 XAZOJQDIIUGRPF-NTEUORMPSA-N 426.878 2.339 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCOCC3)ccc21 223847244 AUADZIDTEDWTGR-UHFFFAOYSA-N 443.525 2.259 0 40 IEAB CC(C)NC(=S)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1 225888453 UDUYMFVWBLSNRY-UHFFFAOYSA-N 441.605 2.335 0 40 IEAB Cc1cc(C(=O)N2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)nc(N(C)C)n1 257277653 NYVURMPNPLCQLB-OAQYLSRUSA-N 446.511 2.226 0 40 IEAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@H](O)[C@@H](N(C)C(=O)c2c(F)cccc2F)C1 257283875 PAGIDRYJVFBSNO-CXFRRJOOSA-N 446.494 2.385 0 40 IEAB COCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 408553406 VZRJLCLGAIJTOH-UHFFFAOYSA-N 434.558 2.390 0 40 IEAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)cc1OC 409207798 ACQNQRXEHNDITR-PXNMLYILSA-N 436.486 2.056 0 40 IEAB COc1ccc(C)c2c1N(CC(=O)N1c3ccc(S(N)(=O)=O)cc3C[C@H]1C)CCC2 532692440 RFJFRNWRADOAMY-OAHLLOKOSA-N 429.542 2.381 0 40 IEAB O=C(O)[C@@H]1CN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)CC[C@H]1C(=O)O 547923091 MCSCPHTVJSRUPL-VXGBXAGGSA-N 430.891 2.260 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1=O 643557568 UODJPGWDKLQBJA-DEOSSOPVSA-N 438.528 2.342 0 40 IEAB C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCOc2ccc(Br)cc2C1 1155545343 MCGAAUYNEGTMMU-SJKOYZFVSA-N 425.323 2.226 0 40 IEAB COc1ccc(NC(=O)CSc2nnnn2-c2ccc(NC(C)=O)cc2)c(OC)c1 1361362 PQGDKQJGBPHNFQ-UHFFFAOYSA-N 428.474 2.369 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 4175806 BBDAFANHWMKNCU-UHFFFAOYSA-N 444.484 2.328 0 40 IEAB CCS(=O)(=O)Nc1cc2c(C(=O)OCCOC)c(C)n(S(=O)(=O)CC)c2cc1C 6142917 PLDRSNQDNQPXLE-UHFFFAOYSA-N 446.547 2.021 0 40 IEAB COCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C 8704251 UCQWSCCITLLPRP-LBPRGKRZSA-N 448.886 2.141 0 40 IEAB CC[C@H](C)[C@@H](NC(=O)[C@H]1Nc2ccccc2NC1=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 9060694 RRRCZLRUTYKLJR-KYNGSXCRSA-N 443.592 2.376 0 40 IEAB CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 9552552 CEIXZBRNSKTRGL-TZWLIRKLSA-N 448.497 2.325 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2OC)CC1 9573786 CKLXCMADUFLVCT-UHFFFAOYSA-N 438.459 2.351 0 40 IEAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 9660586 NPNCXQGKCWYTST-UHFFFAOYSA-N 434.427 2.393 0 40 IEAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1cccs1 9746710 JQAYRNJZGABHBY-AWEZNQCLSA-N 441.600 2.176 0 40 IEAB CCCCCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 10386305 IUMSRXVQLOYIKC-UHFFFAOYSA-N 448.520 2.447 0 40 IEAB CN(CC(=O)N1CCC[C@@H](c2nn(C(C)(C)C)c3ncccc23)C1)[C@@H]1CCS(=O)(=O)C1 12219967 WCIXNSRYIZXLSN-IAGOWNOFSA-N 447.605 2.011 0 40 IEAB CCN1CCN(c2ncc(-c3ccnc(N4CCOCC4)n3)c(-c3ccoc3C)n2)CC1 12275122 AYYRKHQLDHCAMG-UHFFFAOYSA-N 435.532 2.481 0 40 IEAB Cc1c(C)c2c(OCC(=O)N[C@H]3C=CS(=O)(=O)C3)cc3c(c2oc1=O)CCC(C)(C)O3 12897676 GAVQTVQQDRPEBV-AWEZNQCLSA-N 447.509 2.319 0 40 IEAB biogenic CCN(C(=O)CN[C@H](C)c1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13039986 NARMXQPLMWFLDW-OAHLLOKOSA-N 439.491 2.010 0 40 IEAB CCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 13250098 JEKIRGSIHAPLFK-UHFFFAOYSA-N 441.531 2.272 0 40 IEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2)n1 13250533 RQRFFPJXFOYGDK-IRXDYDNUSA-N 430.486 2.500 0 40 IEAB CN1C(=O)N(Cc2ccccc2)C(=O)[C@@H]2[C@@H]1N=C(NC[C@H]1CCCO1)N2Cc1ccccc1 13940402 YTNJQVXMIQNRKJ-BHIFYINESA-N 447.539 2.416 0 40 IEAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 16020086 ROXFRGAUASYYOJ-UHFFFAOYSA-N 438.889 2.384 0 40 IEAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[C@H](NC(=O)c4[nH]ncc4Br)[C@@H]32)cc1 19211657 OWUZWROEVLPZFU-DIOULYMOSA-N 439.335 2.062 0 40 IEAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 19694217 JRPGSGKHXALONW-MRXNPFEDSA-N 436.491 2.462 0 40 IEAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@H]1c1nc2c(c(N(C)C)n1)CN(C)CC2 19710280 CZPXICUZQKCYRS-IBGZPJMESA-N 438.576 2.213 0 40 IEAB Cc1nc([C@@H]2CCCCN2C(=O)CCOc2ccc3c(c2)OCCO3)ncc1C(N)=O 19764539 OWIOANRDJSASCA-KRWDZBQOSA-N 426.473 2.178 0 40 IEAB O=S1(=O)C[C@H](N2CCc3ccccc3C2)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 19797244 JEUCYEPORAJCNC-OALUTQOASA-N 425.959 2.338 0 40 IEAB COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)CC1 20034708 NIFYDWPTJGLIHJ-UHFFFAOYSA-N 442.965 2.293 0 40 IEAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c(OC)c1OC 39995457 VAFLYIIOKLTQOF-SFHVURJKSA-N 433.526 2.471 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)CC1 44791819 OFDKVERGUGZGGU-UHFFFAOYSA-N 445.541 2.491 0 40 IEAB COc1ccc(CCNC(=O)Cn2nc3c(Oc4ccccc4)nccn3c2=O)cc1OC 49008472 VFLSJEXIJAHXSV-UHFFFAOYSA-N 449.467 2.059 0 40 IEAB O=C(CCC(=O)c1ccccc1)NCCC(=O)OCC(=O)N1CCC(c2ccccc2)=N1 49574113 XWHSUYHCSBGKLV-UHFFFAOYSA-N 435.480 2.336 0 40 IEAB O=C(NCc1cccc(OCCN2CCOCC2)c1)c1nc(N2CCCC2)ncc1Cl 58004918 ILTVJDQHLBHHMF-UHFFFAOYSA-N 445.951 2.371 0 40 IEAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccccc3CN3CCC[C@H]3C(N)=O)cnc12 58317061 YIMWHQDLGIXNFY-FQEVSTJZSA-N 433.512 2.183 0 40 IEAB O=C(NCCCN1CCCCCC1=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 70019244 ZQXCXKRCBHSUFA-UXHICEINSA-N 438.528 2.169 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(c2cc(-n3ccnc3)ncn2)CC1 70638021 LAGYQLOFUHVLJY-UHFFFAOYSA-N 433.516 2.354 0 40 IEAB COc1cc(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CC3)ccn1 79111908 OPRVUWIZXDBYSJ-UHFFFAOYSA-N 426.292 2.216 0 40 IEAB O=C(NC1CCCC1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251394 DBMLQINBBFYURA-MBSDFSHPSA-N 426.565 2.173 0 40 IEAB Cc1nccn1-c1ccc(CNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1 223140555 XQOQYTKBYJCRME-UHFFFAOYSA-N 428.514 2.272 0 40 IEAB COc1ccc(Cl)cc1N(CC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 223672250 COXDUNJCEJDUEL-UHFFFAOYSA-N 430.885 2.449 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)CC1 224455011 KCULHTHNYUOJRY-UHFFFAOYSA-N 449.598 2.386 0 40 IEAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224872424 FPBCIDKUIJOIKH-FFZOFVMBSA-N 443.519 2.410 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3[C@H](C)CCC[C@H]3C)CC1)O2 247917765 BTQSDYHYQXYZMK-HOZJOUCCSA-N 443.544 2.358 0 40 IEAB CC(=O)N1CCN(C(=O)c2ccccc2OCCN2CCOCC2)[C@H](c2ccccc2)C1 257203860 ARYQVAIILYAFEW-QHCPKHFHSA-N 437.540 2.443 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCn2ccnc2)cc1 408592845 MCPSQFOWDRIGBE-NRFANRHFSA-N 426.542 2.288 0 40 IEAB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)NCCCn1ccnc1 408594316 PUMCDYLDOLLASA-UHFFFAOYSA-N 432.477 2.408 0 40 IEAB COc1cccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1O[C@H](C)C(=O)O 409232129 NFWIWTPDMJKBJV-YYTPVVGHSA-N 439.424 2.079 0 40 IEAB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)N4CCOCC4)cc3)C2=O)cc1 409246960 LTEVFYYPNSSSSE-STZFKDTASA-N 435.480 2.326 0 40 IEAB CN1CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C[C@](O)(Cn2cccn2)C1 585261889 LLXDZLMLGWINRA-DEOSSOPVSA-N 438.503 2.420 0 40 IEAB O=C(c1cnccn1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643578936 MKAFSNPVARXAOU-UHFFFAOYSA-N 438.528 2.396 0 40 IEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCSc1nc2ccccc2[nH]1 1311670 TZOSCPWGDWYKBG-UHFFFAOYSA-N 439.545 2.472 0 40 IEAB Cc1cc(=O)oc2cc(OCC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)ccc12 3342497 ZFWDVZBOSVXZLV-UHFFFAOYSA-N 448.522 2.075 0 40 IEAB C[C@H](Sc1nc2cc(S(N)(=O)=O)ccc2n1C)C(=O)Nc1ccc2c(c1)OCCO2 8723604 MDGRSWCXLHLCDT-NSHDSACASA-N 448.526 2.111 0 40 IEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 8776057 FUWCKOHRFRSSSL-OAHLLOKOSA-N 448.497 2.462 0 40 IEAB Nc1nc(SCC(=O)NCCc2ccccc2)[nH]c(=O)c1NC(=O)c1cccs1 9599483 BEKZUMWOYPODID-UHFFFAOYSA-N 429.527 2.117 0 40 IEAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)C2=NNC(=O)CC2)cc1 9633869 IJPWHQUHTWDCAS-HXUWFJFHSA-N 434.452 2.182 0 40 IEAB O=S(=O)(c1cccc(CSc2nnnn2Cc2cccs2)c1)N1CCOCC1 9714317 RDMKGMYKRQXABB-UHFFFAOYSA-N 437.572 2.096 0 40 IEAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9741603 PBGIHNFZWVKMJL-QFIPXVFZSA-N 438.487 2.497 0 40 IEAB COc1ccc(CCNC(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)cc1 9821269 OEKPBHFIYGAMAX-UHFFFAOYSA-N 432.480 2.058 0 40 IEAB O=C(c1cccc(N2CCCC2=O)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 10218107 ZVIKGGNVWKRJRP-UHFFFAOYSA-N 445.516 2.489 0 40 IEAB O=C(CCNC(=O)CCS(=O)(=O)c1ccc(F)cc1)NCCc1c[nH]c2ccccc12 12408683 JJDXFHYVLLYVPG-UHFFFAOYSA-N 445.516 2.336 0 40 IEAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)n2)cc1 12558693 AINNEKAEAVAUOO-QFIPXVFZSA-N 447.455 2.202 0 40 IEAB COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 12686108 CAVUAIRVFYUEKQ-UHFFFAOYSA-N 440.905 2.387 0 40 IEAB CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccc(C)cc1 12796573 KLBFQNSOMMVIRW-QFIPXVFZSA-N 440.519 2.484 0 40 IEAB CCOC(=O)[C@]1(O)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc(OC)cc2)NC(=S)N1C 12893045 ZWLBDSMSFMWCMC-NJNPRVFISA-N 428.510 2.307 0 40 IEAB O=C(CSc1nnnn1C1CCCCC1)NCc1ccccc1CN1CCOCC1 12972074 RELYZCFUYCRLIE-UHFFFAOYSA-N 430.578 2.419 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(C(=O)c2ccco2)CC1 13070002 OOQAIYDKCFIVLH-UHFFFAOYSA-N 431.514 2.052 0 40 IEAB COc1ccc(CC(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1OC 13100618 VIVHHIYUUWNDJO-UHFFFAOYSA-N 441.889 2.485 0 40 IEAB Cn1c(=O)n(C)c2cc(NC(=O)CN(c3cccc4ccccc34)S(C)(=O)=O)ccc21 13566747 OQWBGGOCJAGEOY-UHFFFAOYSA-N 438.509 2.435 0 40 IEAB COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1S(=O)(=O)Cc1ccccc1 15676401 OSLNWQDFYALVRF-FQEVSTJZSA-N 425.510 2.361 0 40 IEAB biogenic,in-vitro CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15959480 VKHSBEXGLVXDJD-VKDGWMQASA-N 435.549 2.403 0 40 IEAB biogenic C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 16869317 DBBLOJBWJVFITP-GXTWGEPZSA-N 435.523 2.498 0 40 IEAB O=C(CCN1C(=O)CCNC1=O)N1CCO[C@@H](c2ccc(Cc3ccccc3F)cn2)C1 19692265 GHSCYUSIKVVINF-HXUWFJFHSA-N 440.475 2.043 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccc(OC)cc3)C1)C2=O 19699986 PVADPCPXWDTWSZ-GOSISDBHSA-N 428.533 2.096 0 40 IEAB Cc1cc(C(=O)N2CCO[C@@]3(CC=CCN(CCc4ccccc4)C3=O)C2)nc(N(C)C)n1 19704407 KIXKBAISYBXDLD-VWLOTQADSA-N 449.555 2.093 0 40 IEAB CNc1nc([C@H]2CCCN(C(=O)CC3(NC(C)=O)CCCCC3)C2)nc2c1CN(C)CC2 19710451 AHAXZXNYGUVBPS-SFHVURJKSA-N 442.608 2.441 0 40 IEAB Nc1nc(C2CCN(C(=O)CN3CCCC3=O)CC2)ccc1C(=O)Nc1ccc(F)cc1 19765905 KURVDFQJCUIGIG-UHFFFAOYSA-N 439.491 2.384 0 40 IEAB Cc1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCCC3)cc1 22909158 QNEMWXMZWVLXLA-UHFFFAOYSA-N 442.585 2.494 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)Oc2ccccc21 26112576 XEINMNMXWZEBPC-FQEVSTJZSA-N 433.505 2.092 0 40 IEAB COc1cccc(NC(=O)COc2ccc(C(=O)N3CCN(C(=O)N(C)C)CC3)cc2)c1 26935962 UGFOWHSAXHLGQH-UHFFFAOYSA-N 440.500 2.152 0 40 IEAB COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 28493954 POWXFRUVRGHOFQ-INIZCTEOSA-N 435.521 2.101 0 40 IEAB CC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 34867492 XUCABTASGAAERG-UHFFFAOYSA-N 435.933 2.488 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)NCc1cccs1 36386766 SYAMXVDGRXZCEO-UHFFFAOYSA-N 433.599 2.250 0 40 IEAB O=C(Cc1cccc2ccccc12)NCC(=O)N1CCC(C(=O)NCc2cccnc2)CC1 43837196 SXJUCHYCEIWFKD-UHFFFAOYSA-N 444.535 2.449 0 40 IEAB O=C(Nc1ccc(CC(=O)N2CCC(O)CC2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 44036980 JGEDPRGEYHUERV-KRWDZBQOSA-N 439.487 2.343 0 40 IEAB O=c1n(Cc2cccc(Br)c2)nc2ccc(S(=O)(=O)N3CCCC3)cn12 49407846 LLENSRRCZKFJRD-UHFFFAOYSA-N 437.319 2.091 0 40 IEAB COc1ccc(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@]23C(=O)Nc2c(Cl)cc(C)cc23)cc1 57110703 WAGOJYONQOQJFQ-XNVILDLWSA-N 442.903 2.297 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1C(=O)O 69514188 DKWWYGLPEGENEF-UHFFFAOYSA-N 440.499 2.025 0 40 IEAB Cc1nc(N)cc(N2CCC[C@@H](c3nc(N4CCN(C)CC4)ncc3-c3ccncc3)C2)n1 72338455 IWKGXNBJDHKULS-LJQANCHMSA-N 445.575 2.355 0 40 IEAB COCCC(=O)N1CCC(c2nc([C@@H]3CCCN(CC4=CCCOC4)C3)cc(=O)[nH]2)CC1 72399216 ZXVBNRBIQZERKL-HXUWFJFHSA-N 444.576 2.039 0 40 IEAB Cc1cccc(N2CCN(CCNC(=O)[C@H](C)CS(=O)(=O)c3ccc(F)cc3)CC2)c1 79069486 MWDNZXRHLUQSJJ-LJQANCHMSA-N 447.576 2.482 0 40 IEAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(Br)n1 89794130 CRASKWSOMCDKOQ-UHFFFAOYSA-N 444.282 2.256 0 40 IEAB O=c1[nH]c2cc(Br)c(S(=O)(=O)Nc3ccccc3-c3nnc[nH]3)cc2[nH]1 89821227 RSIQSKFFAXXYJX-UHFFFAOYSA-N 435.263 2.205 0 40 IEAB CCCCS(=O)(=O)N1CCC2(CC1)O[C@H](C(=O)Nc1ccccc1)Cn1ccnc12 96262953 MHKRMARIFIQFQA-SFHVURJKSA-N 432.546 2.342 0 40 IEAB Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)c1 100688392 SOTGBMCMNGSIGW-BETUJISGSA-N 433.559 2.381 0 40 IEAB COc1cccc(-c2noc(CNC(=O)c3ccc(C)c(N(C)S(C)(=O)=O)c3)n2)c1 222465759 QPCQNJDYLRBTGY-UHFFFAOYSA-N 430.486 2.379 0 40 IEAB COc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1C(=O)N1CCOCC1 224033756 BHJDNPPCEZKKBS-UHFFFAOYSA-N 438.933 2.342 0 40 IEAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccc(Nc2ncccn2)c1 257231724 GHYGBXCMFWQXOE-QFIPXVFZSA-N 444.539 2.335 0 40 IEAB Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)COCCN3CCCC3=O)CCO2)n1 257249242 JHLTXQZWCDBRNU-FQEVSTJZSA-N 439.516 2.068 0 40 IEAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)CCc1ccc(OC)cc1)CC2 257336733 YPUCDMRHACLLMX-SFHVURJKSA-N 437.544 2.380 0 40 IEAB COC[C@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 408619279 LLHUEJIDQAESJV-INIZCTEOSA-N 436.530 2.359 0 40 IEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCCCn2ccnc2)c(Cl)c1 408635401 ALRYWRKQJIGJIG-UHFFFAOYSA-N 428.942 2.200 0 40 IEAB Cc1nc2ccccn2c1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 575414163 ALLYMJSZCZDUFJ-UHFFFAOYSA-N 425.514 2.449 0 40 IEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 575425245 RXPPNLLXNZZCIB-OAHLLOKOSA-N 428.919 2.058 0 40 IEAB COc1ccc2nnc(CCC(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)n2n1 604404751 JXYHSMYKZZLOLR-YBJWPOLQSA-N 436.560 2.487 0 40 IEAB biogenic COc1ccc(Cl)cc1S(=O)(=O)N1CC(n2nc(-c3ccncc3)ccc2=O)C1 1775978442 ROCQKPCVOIAVTM-UHFFFAOYSA-N 432.889 2.213 0 40 IEAB CCOc1ccc(-c2nnn(CC(=O)NCc3ccc4c(c3)OCO4)n2)cc1OCC 1223070 MUXZSQVKMRIUMV-UHFFFAOYSA-N 425.445 2.183 0 40 IEAB CCNc1nc(NCC)nc(NC(=S)NNc2nc3c(n2C(=O)OCC)CCCC3)n1 2546618 CCUYWPBCXWYYGX-UHFFFAOYSA-N 448.557 2.129 0 40 IEAB C[C@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NCCN4C(=O)CSC4=O)cc3c2C1 9515259 PAFDZCHDTPQZRT-LBPRGKRZSA-N 429.498 2.261 0 40 IEAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 9836252 LTFAJPQOCWBMNX-ZDUSSCGKSA-N 429.502 2.475 0 40 IEAB CCOc1ccc(C(=O)C2=C(C(=O)OC)Nc3nnnn3[C@@H]2c2cccc(OC)c2)cc1 10232097 FRPUJQOGDLLDGY-LJQANCHMSA-N 435.440 2.405 0 40 IEAB CCc1c(C)nc2cc([C@@H]3CCCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)nn2c1O 12161751 YFJQDDOJKHPQAQ-SFHVURJKSA-N 449.577 2.031 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1 12443490 CQTURVZMNGMPRX-UHFFFAOYSA-N 425.514 2.448 0 40 IEAB O=C(CN1CCC(Cc2ccccc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12551555 QULOKBNONYIUHG-UHFFFAOYSA-N 441.597 2.474 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1nnnn1-c1ccc(O)cc1 12600997 GJXJIJAGDCPXJD-MRXNPFEDSA-N 427.486 2.149 0 40 IEAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 12846626 ZCWYYZLZGHINIJ-CTNGQTDRSA-N 431.533 2.370 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3Cl)CC2)cc1 12905310 GORJUMPLKSDHJX-UHFFFAOYSA-N 444.962 2.480 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 13685137 QAWJYQQCKGSVLA-UHFFFAOYSA-N 433.530 2.021 0 40 IEAB COc1ccc(S(=O)(=O)NCCCn2nc(-c3cccs3)ccc2=O)cc1OC 13799920 SYFHYAPPKBJAEU-UHFFFAOYSA-N 435.527 2.358 0 40 IEAB O=C1CCCN1Cc1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 14070352 DSKMCTORALDQFO-JOCHJYFZSA-N 449.507 2.076 0 40 IEAB CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2c(C)noc2C)c(=O)[nH]c1=O 14699429 KIUIOHYREYXEHE-UHFFFAOYSA-N 441.488 2.379 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 15884089 KTDAEWCRQVYWIO-UHFFFAOYSA-N 435.513 2.030 0 40 IEAB O=C(NCCO)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2cc(C3CC3)on2)CCO1 19702866 GSUAYXABMLQSPP-INIZCTEOSA-N 442.497 2.098 0 40 IEAB CNc1nc([C@H]2CCCCN2C(=O)Cc2csc(C)n2)nc2c1CN(C(C)=O)CC2 19710392 LXIYDQXHXSMVRQ-GOSISDBHSA-N 428.562 2.484 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)c(Cl)c1 20023250 BDRLGPOKSOPVJY-UHFFFAOYSA-N 430.885 2.099 0 40 IEAB CCc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 23805791 YTSCHCIDUYIURX-QHCPKHFHSA-N 439.468 2.207 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)cc1 28218271 DQIYOVBQRLUWGK-IAGOWNOFSA-N 426.473 2.269 0 40 IEAB O=C(Nc1cccc(I)c1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 29572216 UQNRLYNKSSVBNI-UHFFFAOYSA-N 448.220 2.277 0 40 IEAB Cc1nc(C(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)nn1-c1ccc(F)cc1 32820679 FHPROLIPWLXTEP-JOCHJYFZSA-N 436.447 2.303 0 40 IEAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)N(C)CC(=O)NC1CC1)CC2 35336572 JCOPGUJRAXWAER-VWLOTQADSA-N 437.540 2.388 0 40 IEAB C[C@H](NC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1 39984197 YKAVPVZCAOEBRJ-XXSWUVGKSA-N 444.528 2.178 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)ccn1 40108361 DPOFVMYNVPBWHE-FQEVSTJZSA-N 439.541 2.435 0 40 IEAB Cc1cc(CN2CCC(CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)CC2)c(C)o1 43941128 GCUXNVNLUAKOKL-UHFFFAOYSA-N 427.501 2.270 0 40 IEAB O=S(=O)(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cnn(-c2ccccc2)c1 57997162 ZLVACFVGCXCWGF-NRFANRHFSA-N 430.505 2.363 0 40 IEAB COCCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc(C)c3ccccc3n2)cc1 58325142 PXBYVGCSIMTUSX-UHFFFAOYSA-N 428.514 2.135 0 40 IEAB Nc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1 95944691 DGPDQISAIVYQDV-UHFFFAOYSA-N 429.951 2.185 0 40 IEAB C[C@@H]1[C@@H](NC(=O)NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)CCC[C@H]1C 102119062 KRSGTYDLNNZOCC-VYDXJSESSA-N 428.489 2.363 0 40 IEAB COc1ccc(OC)c(N2C(=O)/C(=C\N[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c1 102611015 DXGJDVBKZKPALU-IIMQCXAKSA-N 442.493 2.008 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1 222878282 UVLSNFSVTDGNFW-UHFFFAOYSA-N 445.570 2.221 0 40 IEAB O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)CC1 223418162 XHDQLHQYJGHXHI-KRWDZBQOSA-N 447.438 2.357 0 40 IEAB COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)c1 223657790 TXJMFBSSRUPYTN-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1CCN(C(C)=O)C2 257229464 FYFNTQIMRVIDFC-SFHVURJKSA-N 437.544 2.380 0 40 IEAB CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CCN(C(C)=O)C2 257236490 HCKULASLYLRJLW-OAHLLOKOSA-N 447.536 2.049 0 40 IEAB COc1ccc(CN2CC[C@@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)cc1 306128973 HPWCNQFQONIFFW-XMMPIXPASA-N 436.487 2.049 0 40 IEAB Cc1nc(C(=O)N2CCC3(CC2)CN(C)C[C@@H](C(=O)NCc2ccc(F)cc2)O3)cs1 306135665 OXIJNNAMOLMGPC-IBGZPJMESA-N 446.548 2.212 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 408622311 NFPDXODIMDRMNA-UHFFFAOYSA-N 431.514 2.189 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1=O 643557312 ROMOUDNHCIYIOJ-XMMPIXPASA-N 440.544 2.285 0 40 IEAB COc1c(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)oc2ccccc12 1638949837 DKAKMZFSODQLRU-QAPCUYQASA-N 426.444 2.401 0 40 IEAB CO[C@@H]1CC(=O)[C@@H]2[C@H](O)CCC[C@H](C)OC(=O)C3=C(/C=C/C=C/C=C/C(=O)O)O[C@H]1[C@@H]32 1772591674 KZMINERHJZACPQ-QIPVFIKISA-N 432.469 2.089 0 40 IEAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c(C(=O)OC)c1C 3322199 JVUJGFVNPOQMKH-UHFFFAOYSA-N 426.472 2.389 0 40 IEAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NC(=O)NC1CCCCC1 8965658 QIPKCHLAMHHTFG-UHFFFAOYSA-N 426.564 2.117 0 40 IEAB COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)N2CCN(C(C)=O)CC2)cc1 9713305 UGBMBBQNRSAMCY-FMIVXFBMSA-N 443.525 2.200 0 40 IEAB CN1CC[C@@]2(CCC1=O)CN(CC(=O)NCc1cccc(F)c1)C(=O)c1ccccc1O2 12086703 SQKPDNVMFSJWDS-DEOSSOPVSA-N 439.487 2.358 0 40 IEAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(-c2ccncc2)n1 12232207 GFYSCORZTNCTFV-UHFFFAOYSA-N 445.932 2.282 0 40 IEAB Cc1ccc(OCCN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 12522528 BJDPGXSLKGWQCG-UHFFFAOYSA-N 448.589 2.261 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(N2CCCC2)cc1 12555967 NKUVLTCQZLCBSZ-UHFFFAOYSA-N 446.548 2.371 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)c1 12877163 SQIHNWWFWGPDCL-GXTWGEPZSA-N 436.461 2.266 0 40 IEAB COC[C@H](C)N1C(=S)N[C@H](c2ccccc2F)[C@@H](C(=O)Nc2cc(C)on2)[C@@]1(C)O 12949165 VETCPRBLAXYGAD-LKASSIKMSA-N 436.509 2.352 0 40 IEAB COCCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2cnnn2)cc1 13029885 KOPNLLFEPZTLDD-UHFFFAOYSA-N 448.405 2.408 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccccc3C)CC2)c(C)c1 13062370 QXKAXHQQMFJBNM-UHFFFAOYSA-N 430.526 2.302 0 40 IEAB CC[C@@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 14164506 ZWJBOHONSYYRQK-DHIUTWEWSA-N 448.567 2.246 0 40 IEAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 14253371 UIHGITLNMFTQFV-UHFFFAOYSA-N 448.570 2.486 0 40 IEAB CCCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16022004 BXVDQRDBKKLZOL-DICRZQGBSA-N 432.318 2.476 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@@]23C(=O)Nc2c(C)cccc23)c1 16026852 NRVIXZWDGPUGHO-MNCCRMMHSA-N 425.485 2.157 0 40 IEAB biogenic Cc1nc(C[C@H](NCc2cnc(N3CCOCC3)nc2)c2ccc(Cl)cc2)cc(=O)[nH]1 19285360 JDYRQWZFLYOESU-FQEVSTJZSA-N 440.935 2.432 0 40 IEAB COC(=O)C1CCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3cccc(OC)c3)C2)CC1 19566023 GNANVWJAZQFRQM-RBUKOAKNSA-N 444.557 2.141 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)c3ccc(N)nc3)CCO2)c1 19692694 IMYKYDHIQCYKII-IBGZPJMESA-N 434.500 2.409 0 40 IEAB CN(C)[C@@H]1N(C(=O)c2ccccc2Br)N=C2c3ccccc3S(=O)(=O)N21 19831632 HPZAHWIPSJMPOH-QGZVFWFLSA-N 435.303 2.116 0 40 IEAB COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 20022233 BYCROLOPYGOVCV-QGZVFWFLSA-N 448.541 2.281 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 20721705 ZTCLXLKCWVNYIH-FQEVSTJZSA-N 431.448 2.440 0 40 IEAB biogenic C[C@@]1(c2ccco2)NC(=O)N(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C1=O 25857133 YCHJQGVYOZSCJM-QFIPXVFZSA-N 439.468 2.404 0 40 IEAB COc1ccc(OC)c(CCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 29081600 YVLZBCBOZPZEMS-QFIPXVFZSA-N 440.496 2.147 0 40 IEAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 32883718 LZVZOIPVMLOSTF-UHFFFAOYSA-N 427.482 2.241 0 40 IEAB CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc2ccccc2c1 39986764 HWSYUKBPSDXMFK-UHFFFAOYSA-N 447.538 2.137 0 40 IEAB NC(=O)NCCC[C@@H](NC(=O)Cn1ccc2ccc(OCc3ccccc3)cc21)C(=O)O 40312839 JNRFZDKHNLKWJT-LJQANCHMSA-N 438.484 2.238 0 40 IEAB biogenic CCn1c(C2CCN(C(=O)c3cc(-c4cccs4)nn3C)CC2)nn(CCOC)c1=O 77147556 IVNRZXJUTYEHFM-UHFFFAOYSA-N 444.561 2.193 0 40 IEAB Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)[C@H]2COc4ccccc4O2)CC3)no1 77196460 ZZCOWMCPWMBKSW-MRXNPFEDSA-N 426.454 2.417 0 40 IEAB Cc1c(C(=O)N2CCN(C3CCN(C)CC3)[C@H](C)C2)nnn1-c1cccc2cccnc12 95455956 QMJNGUPAIHHZTB-QGZVFWFLSA-N 433.560 2.364 0 40 IEAB Cc1ccc(NC(=O)COc2ccc3ncoc3c2)cc1S(=O)(=O)N1CCOCC1 97164966 BFCDMDGPDZJUBV-UHFFFAOYSA-N 431.470 2.175 0 40 IEAB CCOc1ccc(NC(=O)Cn2nc3n(c2=O)CCN(Cc2cccc(C)c2)C3=O)cc1 98213138 IHUITFCERGOFSG-UHFFFAOYSA-N 435.484 2.047 0 40 IEAB CCOC(=O)Cn1/c(=N/C(=O)Cc2ccccc2)sc2cc(S(C)(=O)=O)ccc21 100877391 WIGCHSSERHCOSP-MRCUWXFGSA-N 432.523 2.339 0 40 IEAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCC[C@H]2C(=O)O)c2ccc(Br)cc21 101095326 HUIMVUVIVRHASD-WFASDCNBSA-N 425.235 2.163 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)c(F)c4)[C@H]3C2=O)cc1OC 101169846 KHNYNZVOVSLORG-RBUKOAKNSA-N 441.419 2.083 0 40 IEAB COc1ccc(CCNc2c(N3CCN(c4ccc(F)cc4)CC3)c(=O)c2=O)cc1OC 101700155 PFTRSNSZVWEVBH-UHFFFAOYSA-N 439.487 2.420 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(C)(=O)=O 223561993 BPZKLOQRBGYIGT-GOSISDBHSA-N 431.558 2.314 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 223989201 KPGHVXNEWVKCKF-UHFFFAOYSA-N 440.905 2.072 0 40 IEAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224063649 AKYLQEFEFHGXDL-IBGZPJMESA-N 445.585 2.357 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 224629528 XGFOWCQABBGPAU-UHFFFAOYSA-N 431.514 2.390 0 40 IEAB CN1CCC(C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)CC1 257266904 MFBURRDNQCBEPE-SONWIMMPSA-N 429.605 2.018 0 40 IEAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3ccccc3F)C[C@H]2N1Cc1ccccn1 306123094 AEIBJVAPAXNISL-WOJBJXKFSA-N 440.500 2.452 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCn3cc(C(=O)NCc4ccccn4)nc3[C@@H]2C)cc1 585096408 MQIWOCVFIRSKLQ-INIZCTEOSA-N 425.514 2.282 0 40 IEAB O=C(N[C@H](Cc1ccccc1)c1nc(O)n[nH]1)c1cc(N2CCNC2=O)ccc1Cl 1151372191 VJCYTYFNYVKSGO-MRXNPFEDSA-N 426.864 2.407 0 40 IEAB COCCn1nccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)CO1 2056225639 WCGLYZSBZSGLKB-FQEVSTJZSA-N 427.549 2.116 0 40 IEAB COc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2Cl)cc(OC)c1OC 1779010 XNXCFJBXRJJUDX-UHFFFAOYSA-N 436.848 2.278 0 40 IEAB S=C(NC1CCCCC1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12 8296136 CFLMIUUSPQVYSE-RNIPGJKVSA-N 429.546 2.480 0 40 IEAB biogenic,in-vitro NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9086432 JFBXAJOCVLIBLI-TVFCKZIOSA-N 438.281 2.324 0 40 IEAB Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1CCc1ccccc1 9243229 OQXBVFMBRPMGST-UHFFFAOYSA-N 448.571 2.495 0 40 IEAB CCn1c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)c2ccccc21 10448065 FTXIKDFORFEBQT-UHFFFAOYSA-N 430.530 2.491 0 40 IEAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 10968701 YRPJRLNWWIYEAB-CQSZACIVSA-N 436.555 2.293 0 40 IEAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)c(=O)n2N)cc1 12348088 IKCSINLNZPPZQS-UHFFFAOYSA-N 425.514 2.245 0 40 IEAB NC(=O)[C@@H]1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)=NN1c1ccc(F)cc1 12536825 ZSDJCOFVWCVLGS-IBGZPJMESA-N 429.883 2.248 0 40 IEAB C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 12762981 XIPXTMBWHSQPQG-MRXNPFEDSA-N 427.480 2.390 0 40 IEAB COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 13370622 CNDBNNPDZZIERP-IYSPOMMRSA-N 448.928 2.423 0 40 IEAB COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H]4CCS(=O)(=O)C4)c(C)c13)CCC(C)(C)O2 13723888 GLIKRWLLPHDRSB-CYBMUJFWSA-N 449.525 2.059 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 13858225 WELVKRFOYIOMRU-UHFFFAOYSA-N 439.921 2.487 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1n[nH]c(=O)n1C[C@H]1CCCO1 14021337 PZLMHHSRVSGXKL-MRXNPFEDSA-N 428.518 2.284 0 40 IEAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1 16044448 MEDKQDJZAOQRDR-HNNXBMFYSA-N 446.529 2.232 0 40 IEAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NCCCn1ccnc1 16479125 QGUHPABLELDFHC-UHFFFAOYSA-N 426.542 2.323 0 40 IEAB COc1ccc(C(=O)NCCC(=O)OC(C)C)cc1S(=O)(=O)N1CCCC[C@@H]1C 16964071 POADYAWDPMEKGG-HNNXBMFYSA-N 426.535 2.330 0 40 IEAB CCCN1CCN(C(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 17272001 XQLYQAQFGKHPOJ-HXUWFJFHSA-N 449.555 2.486 0 40 IEAB COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 17741044 XMCWSRLRJFCOPN-QGZVFWFLSA-N 439.434 2.449 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1OC 19604378 FKDLBQHMBRJZEK-UHFFFAOYSA-N 438.933 2.433 0 40 IEAB COc1ccc(-c2nc([C@@H]3CCCN(C(=O)Cn4nc(C)cc4C)C3)[nH]c2C(N)=O)cc1 19698895 KOORRQHOUANDAV-QGZVFWFLSA-N 436.516 2.404 0 40 IEAB O=C(NCC[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CCO1)c1cccc(-n2cnnc2)c1 19712088 MAWFZYYXPRPPPI-CTNGQTDRSA-N 440.525 2.409 0 40 IEAB COCCNC(=S)N(CCCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 19823672 WLVQGCBHPZURBI-UHFFFAOYSA-N 446.617 2.190 0 40 IEAB CCCCN1C(=O)NC(=O)/C(=C(/CC)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O 20290465 ZQSHGNJOSNPOIL-CQGUWYRNSA-N 440.500 2.384 0 40 IEAB COCCNC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 22232032 FKOKPODOQPLZHW-UHFFFAOYSA-N 426.922 2.448 0 40 IEAB CC[C@@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22335449 NPNKSVHDDRGICE-QGZVFWFLSA-N 442.534 2.263 0 40 IEAB CCN1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4cccc(C)c4)c(=O)n32)CC1 22768361 SXLPBPGQQFBOFY-QGZVFWFLSA-N 438.557 2.092 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2N2CCCC2=O)C1 24538301 LKMMVZBXYYHCSO-MRXNPFEDSA-N 446.529 2.458 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCNS(=O)(=O)Cc1ccccc1 29418686 YGAIRWXUMUZUKN-UHFFFAOYSA-N 426.542 2.267 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 29518624 VJMLALNMGUJGLD-UHFFFAOYSA-N 435.502 2.481 0 40 IEAB CCOC(=O)[C@H]1CSCCN1CC(=O)Nc1ccccc1I 31578912 GIOISMIOWBALHK-CYBMUJFWSA-N 434.299 2.210 0 40 IEAB COc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)c(OC)c1 35060441 YAPFGZNOMQBNGY-VCHYOVAHSA-N 441.896 2.320 0 40 IEAB CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 40210118 YMLJWSIWMJJMGD-RSXHZNKKSA-N 436.555 2.165 0 40 IEAB CSc1ccc(CN(C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cc1 58159717 BXYVFUAPYUDBSM-UHFFFAOYSA-N 438.553 2.214 0 40 IEAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)NCc2cccnc2-n2cncn2)c1 62580896 RHWDJQVUQKPYQL-UHFFFAOYSA-N 429.506 2.061 0 40 IEAB CC(=O)N1CCc2cc(NC(=O)COC(=O)c3ccc(-n4c(C)c[nH]c4=O)cc3)ccc21 63990780 FIDCMLZHBJWNJW-UHFFFAOYSA-N 434.452 2.179 0 40 IEAB COc1cc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc(OC)c1 67336770 ZLRMPTPPOKTRQZ-UHFFFAOYSA-N 428.420 2.399 0 40 IEAB CCOc1cc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)ccc1OCC(N)=O 72339865 VIDHKWPXBXIGCP-UHFFFAOYSA-N 435.484 2.065 0 40 IEAB COc1ccc(CN2CCN(Cn3nc(-c4ccco4)ccc3=O)CC2)c(OC)c1OC 79493888 RIGBTLGCWKNCED-UHFFFAOYSA-N 440.500 2.304 0 40 IEAB COc1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc4[nH]nnc4c3)c2)cn1 97000804 XWYAKNZONXXKMT-UHFFFAOYSA-N 438.469 2.092 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N3CCC(Oc4cc(C)oc(=O)c4)CC3)CC2=O)cc1 206971932 XJCJDLQJXCUPTR-INIZCTEOSA-N 426.469 2.380 0 40 IEAB CCc1ccccc1N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O 224548008 LUQYPXBPOJGUMQ-UHFFFAOYSA-N 445.585 2.164 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225421296 IYLORDNGYQNGJK-QGZVFWFLSA-N 449.548 2.372 0 40 IEAB COC(=O)/C=C/[C@H](O)[C@H](O)CC/C(C)=C/[C@@H]1C=C(C)[C@H](C)[C@@H]2[C@@H](CC(C)C)NC(=O)[C@@]12O 252507123 YUXUTEAAGHFKKH-ZYVKZORPSA-N 449.588 2.268 0 40 IEAB biogenic,in-vitro CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](NCc2ccc(OCc3ccccn3)cc2)[C@H](O)C1 257216990 CXAGOWTVTXWXMQ-CEMLEFRQSA-N 443.544 2.481 0 40 IEAB CC[C@H](NC(=O)[C@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 260770470 SPLNKSROZZVCEO-OALUTQOASA-N 438.571 2.290 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 409337602 ZPZAPOMMWSQIIT-UHFFFAOYSA-N 448.497 2.281 0 40 IEAB O=C(CN1C(=O)CC[C@@]12CCCN(c1cc(C(F)(F)F)ncn1)CC2)N1CCCC1 585100871 ZTSZHNGVWCIQLR-LJQANCHMSA-N 425.455 2.469 0 40 IEAB O=C(NCc1ccc(F)cc1)[C@@H]1C[C@@]2(CO1)CN(Cc1ncc(C(F)(F)F)[nH]1)CCO2 2056226263 OAFPRTZABPKXRB-KXBFYZLASA-N 442.413 2.244 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 2450709 ITFQMYMZDRGMCL-UHFFFAOYSA-N 440.510 2.194 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)no1 2663677 UVNJTZDCVIDSEG-KBPBESRZSA-N 435.502 2.445 0 40 IEAB Cc1cccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)CCC(=O)O)[C@H]2C(=O)N3)c1C 8296881 PUXREURPXRNXHT-UGKGYDQZSA-N 435.480 2.487 0 40 IEAB biogenic,in-vitro Cc1ccc(-n2c(SCC(=O)N[C@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)cc1 9403095 QLGOKYJJXIJTIC-HNNXBMFYSA-N 443.550 2.090 0 40 IEAB O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2)c1ccccc1 9411125 RNRGOLUMJMSZCR-CVEARBPZSA-N 430.507 2.373 0 40 IEAB O=C(NCC(=O)N1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9486832 OSKRKFPAGFBIDU-INIZCTEOSA-N 441.981 2.260 0 40 IEAB O=C(NCC(=O)N1CCCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 9486834 OSKRKFPAGFBIDU-MRXNPFEDSA-N 441.981 2.260 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)Nc3c4c(nn3C(C)(C)C)CS(=O)(=O)C4)CC2=O)cc1 9517993 DCSNSSYHGUZXOA-AWEZNQCLSA-N 430.530 2.367 0 40 IEAB C[C@@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)cc1 9787644 FRZDIHZIARXKAX-CYBMUJFWSA-N 433.461 2.215 0 40 IEAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1N1CCCC1=O 11740719 MYIDDGLWNSOVPM-UHFFFAOYSA-N 443.525 2.395 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 11795935 BNQAYXQMYCWMSW-HNNXBMFYSA-N 435.531 2.050 0 40 IEAB Cc1nc(NC(=O)CN2CC[C@@]3(CCC2=O)CNC(=O)c2ccccc2O3)sc1C 12086577 XRIAENFLKYIBAU-NRFANRHFSA-N 428.514 2.272 0 40 IEAB COc1cccc2sc(N3CCN(C(=O)CS(=O)(=O)c4ccccc4)CC3)nc12 15882410 XURYXTVYHTVLJR-UHFFFAOYSA-N 431.539 2.427 0 40 IEAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc(=O)[nH]c2ccccc12 16050220 JIIOCRIWLNPOKE-UHFFFAOYSA-N 447.900 2.455 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@@H](C(=O)NC(C)C)CN3C)CC2)cc1F 19449760 LCVYUFBTBAOGQV-VQIMIIECSA-N 441.569 2.080 0 40 IEAB Cc1nc([C@H]2CCCCN2C(=O)CCOc2ccc3c(c2)OCCO3)ncc1C(N)=O 19764541 OWIOANRDJSASCA-QGZVFWFLSA-N 426.473 2.178 0 40 IEAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCCN2S(=O)(=O)c2cnn(C)c2)n1 19767024 TVWGNMNYTWYHOY-IBGZPJMESA-N 446.577 2.497 0 40 IEAB COCCn1c(C)cc(O)c([C@H](c2ccncc2)N2CCN(c3ccccn3)CC2)c1=O 22697916 ZEIURXWARNEWKV-QHCPKHFHSA-N 435.528 2.210 0 40 IEAB COc1ccc(C)cc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(C)(=O)=O 30868412 ZQHNBQCYZQNEOW-UHFFFAOYSA-N 428.514 2.272 0 40 IEAB COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccccc2OC)N2CCOCC2)cc1 32969172 NXQYYNBHTHVPBZ-OAQYLSRUSA-N 441.528 2.013 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-c4cccnc4)ccc3=O)[nH]n2)c1 38488129 HUASASNDHDDMDX-UHFFFAOYSA-N 446.467 2.143 0 40 IEAB CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC1 40103789 CQZUZLAYJRIDLE-UHFFFAOYSA-N 449.499 2.262 0 40 IEAB COc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ncccn2)cc1OCC(N)=O 40284617 LCQFRFNKTRCTRB-GOSISDBHSA-N 440.485 2.268 0 40 IEAB C[C@@H](C(=O)NCCOc1cc(N2CCCCC2)ncn1)n1nc(-c2ccccc2)ccc1=O 42380947 ZLRSZZSIWXWUCM-SFHVURJKSA-N 448.527 2.447 0 40 IEAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3=NN(c4ccccc4)C(=O)[C@H](C)N3)c2)n1 48277617 DIMRJMSLOOUEGQ-AWEZNQCLSA-N 430.468 2.276 0 40 IEAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CCCC1 56945404 IZAREFLHTCUEHL-HXUWFJFHSA-N 428.508 2.457 0 40 IEAB COC(=O)c1cnc(N[C@H]2CCCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1 58394153 XVMZYYPCCYVZJT-SFHVURJKSA-N 431.514 2.379 0 40 IEAB COC(=O)[C@@H](NC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)c1ccccc1 60318107 IUTFHKPJQWZXBM-NRFANRHFSA-N 439.468 2.224 0 40 IEAB COc1ccc([C@H](NC(=O)CNC(=O)c2c(Br)nn(C)c2N)C(C)C)cc1 72272268 NKPMBLGXYIZKSB-OAHLLOKOSA-N 438.326 2.017 0 40 IEAB Cc1cc(C(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)c(C)n1[C@@H]1CCS(=O)(=O)C1 72314201 OZLZQBSVAGJDBE-YLJYHZDGSA-N 447.557 2.021 0 40 IEAB CCn1cc([C@@H]2C[C@@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)c(C)n1 72335043 JESOFLVDRMRJSG-JFNYDKOCSA-N 449.621 2.124 0 40 IEAB CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cn1 84791160 TWNMNPZHHPJKBX-CYBMUJFWSA-N 434.518 2.280 0 40 IEAB Cc1csc(SCC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)n1 90608154 GNIOFHDAIFECPO-UHFFFAOYSA-N 431.605 2.125 0 40 IEAB COc1ccc(-n2cc(C(=O)NCCN3CCOCC3)c3ccccc3c2=O)c(OC)c1 95477375 GBVMPNURZALNNU-UHFFFAOYSA-N 437.496 2.070 0 40 IEAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]12 104843617 MEAVPTKGSWSXIY-XUJKJYMVSA-N 433.464 2.039 0 40 IEAB CCOC(=O)C1CCN(C(=O)CCCN(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 222619842 BEESGCIGQIOLFW-UHFFFAOYSA-N 440.562 2.433 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222627070 CDKYURAUAJAAQH-QGZVFWFLSA-N 449.548 2.390 0 40 IEAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223473092 ROOVCDZEOFCIBN-NRFANRHFSA-N 445.585 2.357 0 40 IEAB CN1C(=O)CCC[C@]12CN(Cc1ccnc(N3CCOCC3)n1)C[C@H]2c1ccc(F)cc1 257203377 APSUBVMXBHVWLG-XUZZJYLKSA-N 439.535 2.433 0 40 IEAB CS(=O)(=O)Cc1cccc(C(=O)NS(=O)(=O)c2cccc(Br)c2)c1 257301192 RXJCRSHJWQDDBS-UHFFFAOYSA-N 432.317 2.112 0 40 IEAB COc1ccc(-c2cc(C(=O)N3CCC4(CC3)C[C@H](N(C)C)[C@@](C)(O)CO4)nn2C)cc1 257335140 YIVKTBCYJYVFDN-GMAHTHKFSA-N 442.560 2.172 0 40 IEAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 408672741 ZTWQDKDXELNMJO-NHUSPQTBSA-N 440.496 2.427 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704510 OTDCHJJVRUOZQG-CQSZACIVSA-N 448.497 2.428 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5cccc(Cl)c5)C[C@@H]4C3)nn12 1888930575 BXOXZDIRKQDMKB-KBPBESRZSA-N 432.937 2.097 0 40 IEAB CC(C)c1ccc(CN2CCC[C@]3(CC(C(=O)NCCN4CCNC4=O)=NO3)C2)cc1 2056226753 ZBQOKTFSEYWOQU-QHCPKHFHSA-N 427.549 2.062 0 40 IEAB Cc1cc(=O)oc2cc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)ccc12 2636244 GTJRVGZZWMIKBY-UHFFFAOYSA-N 448.522 2.365 0 40 IEAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3246671 RJCAGUPHHASPOY-GJZGRUSLSA-N 428.576 2.482 0 40 IEAB COC(=O)[C@H]1[C@@H](OS(=O)(=O)O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]21 5048148 XBZJQPNSUUABAM-AECJZGCLSA-N 434.514 2.474 0 40 IEAB in-vitro Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 8825677 NWIZCSOOOFMAIL-UHFFFAOYSA-N 445.541 2.035 0 40 IEAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccccc2OC)cc1 9089503 CHEIEOPUKKLIIS-UHFFFAOYSA-N 431.452 2.360 0 40 IEAB COc1ccc(NC(=O)CNc2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1 9127349 JMZHTFZUUJHNFA-UHFFFAOYSA-N 433.530 2.384 0 40 IEAB CCOC(=O)C(NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C)C(=O)OCC 9415954 DIHZSKDSXLISSE-AWEZNQCLSA-N 447.315 2.359 0 40 IEAB CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 9633741 AEEBWWMDTMNISA-GOSISDBHSA-N 436.555 2.161 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)ccc21 9797814 XPVQZZVGJHVGTA-UHFFFAOYSA-N 433.530 2.226 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cn1)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 12522882 XWIKQHIHMXNJQU-UHFFFAOYSA-N 436.921 2.265 0 40 IEAB Cc1cc(=O)n2nc(CN3C[C@@H](C(=O)N4CCCCC4)Oc4ccccc43)sc2n1 12610318 VSEKWZLPAQMLFI-KRWDZBQOSA-N 425.514 2.240 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(Cn4cccn4)cc3)C2=O)cc1 12625843 LDCPZPRZSXZTSZ-DEOSSOPVSA-N 447.495 2.023 0 40 IEAB CCc1cccc2sc(N3CCN(C(=O)[C@@H]4CCCN(S(C)(=O)=O)C4)CC3)nc12 13790565 RRKHIWKLBFYPLY-MRXNPFEDSA-N 436.603 2.179 0 40 IEAB C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCN(c3ccccn3)CC2)C1=O 14187470 WTGRORZRYUGJTH-FQEVSTJZSA-N 444.333 2.391 0 40 IEAB COC(=O)Cn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(NC(C)=O)ccc21 16890516 WSLVIOPDQMUQHS-LNVKXUELSA-N 441.465 2.347 0 40 IEAB COc1cc(-c2cnc(NCCN3CCOCC3)nc2-c2cccs2)nc(OC)n1 19550387 XENWLBMVVGDMQB-UHFFFAOYSA-N 428.518 2.423 0 40 IEAB CC(=O)NCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1 19738801 KBKUXDMDGAWGIU-HXUWFJFHSA-N 449.555 2.067 0 40 IEAB Cc1cccc(NC(=O)CCCC(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)n1 19744193 VDTLVZJMFRNJPB-KRWDZBQOSA-N 436.516 2.480 0 40 IEAB O=C(NC[C@@H]1CCCO1)c1ccc(C2CCN(C(=O)CN3CCCCCC3=O)CC2)nc1 19754837 UGQVOCPPKVPYQE-FQEVSTJZSA-N 442.560 2.099 0 40 IEAB COc1ccc(-c2cc3ncn(CC(=O)OCC(=O)NCC(C)C)c(=O)c3s2)cc1 22021245 IQSUMJYMTUCDQP-UHFFFAOYSA-N 429.498 2.449 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)C1 22515189 ZYDHLCUXBDUEGS-INIZCTEOSA-N 436.578 2.206 0 40 IEAB Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2n1 22659876 STEUFJKQWCPFGL-UHFFFAOYSA-N 425.510 2.494 0 40 IEAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccc(N2CCCCCC2)cc1 22776210 BSFGHBBFMBECCY-UHFFFAOYSA-N 427.593 2.246 0 40 IEAB CN(C)C(=O)COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 25992586 VDVNNANMQDJELK-UHFFFAOYSA-N 439.921 2.310 0 40 IEAB CC(C)OC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 32598164 ZGAHQIAOQBOTOK-NSOXHHMISA-N 436.555 2.007 0 40 IEAB CCCn1nc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)ccc1=O 36845866 NXLJQQYVFGNTGH-UHFFFAOYSA-N 434.518 2.089 0 40 IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 39986686 HAGOFLMRIAJKJY-UHFFFAOYSA-N 436.530 2.130 0 40 IEAB O=C1CN(c2ccc(NC(=O)[C@H]3CCCN(c4ncccc4C(F)(F)F)C3)cn2)CCN1 40108791 WMMFKNYQPOYDTP-AWEZNQCLSA-N 448.449 2.287 0 40 IEAB Cc1noc([C@H]2CCCN([C@@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C2)n1 40156385 DZTFHPZJAJKDOH-JQWIXIFHSA-N 425.411 2.118 0 40 IEAB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)NCc1ccc2c(c1)OCO2 51316736 FUQFSRFTUGYKJP-UHFFFAOYSA-N 435.465 2.246 0 40 IEAB COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 59408729 MHTNSZSQTDOLMT-JQVVKUFUSA-N 441.553 2.264 0 40 IEAB biogenic Cc1ccc(-n2nc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCCCC3)c3c2CCC3)cc1 60362651 DKPYAJFGSATEMS-TZIWHRDSSA-N 442.585 2.051 0 40 IEAB COc1ccc(Cn2nc3ccc(S(=O)(=O)N4CCC(C)CC4)cn3c2=O)cc1F 65198719 JRBJRCZQBMXJLP-UHFFFAOYSA-N 434.493 2.113 0 40 IEAB OC1(c2csc(CN3CCN(c4ccccn4)CC3)n2)CCN(C2CCOCC2)CC1 225427286 DOVKRQDFVJAKIF-UHFFFAOYSA-N 443.617 2.323 0 40 IEAB biogenic,in-vitro COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(OC)c1OC 225569238 CYGIFULSXPYWKO-UHFFFAOYSA-N 434.514 2.427 0 40 IEAB COc1ccc(NC(=O)CN2CCO[C@@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C2)cc1 257205821 BASFWEMQUOUHED-OAQYLSRUSA-N 434.500 2.450 0 40 IEAB O=C(c1ccc(CN2CCCCC2)cc1)N1C[C@H](O)[C@@H](n2c(O)nc(=O)c3ccccc32)C1 257215829 CRVGHZFRFKQXSL-VXKWHMMOSA-N 448.523 2.146 0 40 IEAB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)[C@@H]1OCC(=O)N[C@@H]1c1ccc(Cl)cc1 257278766 ODPBOJXROLQRGV-IAGOWNOFSA-N 443.308 2.363 0 40 IEAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CCN(S(=O)(=O)c1ccc(C)c(C)c1)C2 257290274 QCGDGWSCYMVFCH-KRWDZBQOSA-N 443.573 2.218 0 40 IEAB CN(C)C(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C(C)(C)NC(=O)c2cccc(F)c2)C1 257340580 ZGTTYFMCEGQFDL-DEOSSOPVSA-N 440.519 2.378 0 40 IEAB C[C@@H]1CCCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 260895433 IJYFLDPQZGPZKM-MSOLQXFVSA-N 425.570 2.465 0 40 IEAB Cc1ccc(-n2nccc2-c2nc(C(=O)NCCCN3CCOCC3)c3cnccn23)cc1 306125352 CNGSJNLCHODYPO-UHFFFAOYSA-N 445.527 2.343 0 40 IEAB O=C(NCC(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1)OCc1ccccc1 390831575 SPCKVCCRUPCGSG-LJQANCHMSA-N 434.489 2.440 0 40 IEAB CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)CC1 408974556 ZRBCPAGJGYMICG-UHFFFAOYSA-N 432.517 2.358 0 40 IEAB CCNC(=O)COc1cccc(NS(=O)(=O)c2cc(C(=O)OCC)ccc2OC)c1 506720219 RDHIAPYJCLXPMM-UHFFFAOYSA-N 436.486 2.188 0 40 IEAB COCCn1cc(C(=O)NCCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21 524732193 FZVDQMMLCNNGFJ-MOPGFXCFSA-N 434.540 2.299 0 40 IEAB biogenic Cn1c(=O)c2c(nc(NC[C@@H](O)c3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O 2372806 JXFSKCCYCBSFHO-QGZVFWFLSA-N 439.903 2.281 0 40 IEAB COCCNC(=O)CSc1nc2ccccc2c2nc(CCn3nc(C)cc3C)nn12 2969183 XEDYHAGPTJNSJV-UHFFFAOYSA-N 439.545 2.188 0 40 IEAB O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NCCN1C(=O)CSC1=O 3416332 QSTMFNYAYZDIEG-UHFFFAOYSA-N 444.441 2.242 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)Oc1ccc(C)cc1 8944162 ORZYJSMZKXCSTD-INIZCTEOSA-N 434.514 2.431 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccccc1)[C@@H]1C=CS(=O)(=O)C1 9415885 HOAWFZYSGYXRLF-LJQANCHMSA-N 446.550 2.429 0 40 IEAB Cc1ccc2nc3c(c(C(=O)OCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)c2c1)CCCC3 9544286 BGNJJVHCGZRZHR-HNNXBMFYSA-N 430.526 2.224 0 40 IEAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)n1 9847200 RDYZSEUDDJGNPN-GFCCVEGCSA-N 447.546 2.158 0 40 IEAB NC(=O)c1ccsc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 9953787 BEWZNNQERQVMSI-QGZVFWFLSA-N 428.514 2.066 0 40 IEAB Cc1ccc(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)c(Br)c1 11038191 ADTCZYMGWVXZCC-UHFFFAOYSA-N 427.276 2.200 0 40 IEAB CC(C)[C@H](C)NC(=O)COC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11052903 HKHBAWMBVKWZHW-LBPRGKRZSA-N 442.442 2.063 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCCN2CCN(c3ccccc3)CC2)c(C)c1 12068952 CDXQNYQZXFOXPH-UHFFFAOYSA-N 430.574 2.444 0 40 IEAB COc1ccc([C@H]2OC(=O)N(CCN3CCOCC3)[C@@]2(O)c2ccc(OC)cc2)cc1 12420523 IDMMCXPEDHIIMH-FYYLOGMGSA-N 428.485 2.375 0 40 IEAB CC(C)n1ncc2c(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc(-c3ccccc3)nc21 12940336 AQXXQCKAAZQDNX-UHFFFAOYSA-N 432.484 2.493 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc4nc(C)cc(C)n4c3=S)CC2)c(C)c1 13069202 VZWZDWKNXVNOJC-UHFFFAOYSA-N 446.602 2.458 0 40 IEAB COCCn1nnnc1[C@H](C(C)C)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 13498945 HVQSEXNBWPFHJP-NRFANRHFSA-N 442.564 2.360 0 40 IEAB CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 14198312 SOCSBHZTRDIWMB-QFIPXVFZSA-N 436.493 2.485 0 40 IEAB C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 16890842 LSBYIXJQDDEFKQ-GOSISDBHSA-N 437.496 2.446 0 40 IEAB C[C@H](C(=O)N(C)C[C@@H]1CCN(C)C1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 19077397 ZXSIHGQTZVOSAY-QZTZHPFYSA-N 427.545 2.202 0 40 IEAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1OC 20105028 IKIDGKVYJSPSMS-CQSZACIVSA-N 439.509 2.333 0 40 IEAB Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)NC[C@@H](C3CC3)N(C)C)cc2)cc1 40156802 SMANJNOQYBLSMM-FQEVSTJZSA-N 438.571 2.381 0 40 IEAB O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 95431426 XQLQVJBZZSWSDS-UHFFFAOYSA-N 447.542 2.447 0 40 IEAB CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)Nc3ccccc3F)cn12 96038434 XCEOMBAJHNDWMJ-GOSISDBHSA-N 432.463 2.404 0 40 IEAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3cnccn3)C2=O)cc1OC 96593052 RXGGFZGHLLKHOS-GZTJUZNOSA-N 428.470 2.350 0 40 IEAB CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224903125 DVSLHIGQDFCQMO-UHFFFAOYSA-N 434.470 2.190 0 40 IEAB CN(CC(=O)O)C(=O)[C@H]1OCC(=O)N(Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)cc1 257218855 DEPMXVLMAJRWQY-UXHICEINSA-N 434.851 2.491 0 40 IEAB CS(=O)(=O)Nc1cccc(CC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c1 592731733 GWVDYPQEDITHGR-UHFFFAOYSA-N 431.514 2.241 0 40 IEAB Cc1nc(C2CCOCC2)cc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 1888909586 BXDVNMMWLDWTOP-UHFFFAOYSA-N 448.453 2.462 0 40 IEAB COc1ccc(CNS(=O)(=O)c2ccc(C[C@H]3SC(=O)NC3=O)cc2)cc1OC 1395210 LQSAHGZLGVXBKB-QGZVFWFLSA-N 436.511 2.076 0 40 IEAB COC(=O)c1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C)c(C)c2)ccc1OC 3414227 WZIIDINMRJKVLR-HNNXBMFYSA-N 434.514 2.082 0 40 IEAB Cc1cc(C)n2nc(S[C@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)nc2n1 3467501 FARNZWAPBICULX-SNVBAGLBSA-N 438.435 2.394 0 40 IEAB COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1 8927489 NZWUDJDNVWZRSH-HNNXBMFYSA-N 430.844 2.268 0 40 IEAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2ccc(C)c(C)c2)CC1 9570135 UTUABLDFYMVSTK-UHFFFAOYSA-N 431.558 2.194 0 40 IEAB CCOc1ccccc1Nc1nnc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 9613514 GUUULNCVKBDAFH-LLVKDONJSA-N 428.561 2.076 0 40 IEAB O=C(OCc1ccc(C(=O)Nc2ccccc2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 9613908 VBGWIUCNQCMMSC-UHFFFAOYSA-N 437.477 2.480 0 40 IEAB CCN(C(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1)[C@H]1CCS(=O)(=O)C1 9662732 DSPCLZNVTIYWCQ-LBPRGKRZSA-N 444.966 2.261 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1 10187758 QYLFRILHBJTMSQ-UHFFFAOYSA-N 439.493 2.282 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1C 11694529 JWTMKEREZZHCQO-UHFFFAOYSA-N 439.497 2.466 0 40 IEAB COc1ccc(CN2CCc3c(N)nc(N4CCCC4)nc3C2)cc1CN1CCOCC1 12142844 DVMDMMGUKJSPSR-UHFFFAOYSA-N 438.576 2.058 0 40 IEAB CCN(Cc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)o1)S(C)(=O)=O 12185879 PTQIAYFNHLRZJD-UHFFFAOYSA-N 443.529 2.177 0 40 IEAB C[C@H](Sc1nncn1Cc1ccco1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 12785926 NDMPCQOXJIWZFD-ZDUSSCGKSA-N 435.531 2.289 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 13108689 VULUYBPPPFTKII-SFHVURJKSA-N 437.521 2.199 0 40 IEAB Cc1cc(C(=O)COC(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)n1C 13148885 AWPFYLQAPVWAKQ-UHFFFAOYSA-N 431.514 2.436 0 40 IEAB Cc1occc1-c1nnc(SCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)n1C 13163913 LTVABZXWOYOPEP-OAHLLOKOSA-N 438.575 2.434 0 40 IEAB COc1ccc(-c2cc3ccc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)cc3oc2=O)cc1 13689712 HEWYGZKZSSSBAH-INIZCTEOSA-N 443.477 2.151 0 40 IEAB CC(=O)c1ccc(NC(=O)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 13728236 YUHDHLAPFZGDSI-SFHVURJKSA-N 443.525 2.045 0 40 IEAB COCCCNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 16993013 VSSDBCNSHFOOAL-AWEZNQCLSA-N 432.502 2.126 0 40 IEAB Cc1ncsc1C(=O)NCCc1nc(-c2ccccc2)ncc1C(=O)N1CCOCC1 19697309 ICASKFMSWOAIOP-UHFFFAOYSA-N 437.525 2.353 0 40 IEAB CCCc1cc(C(=O)N2C[C@H](c3ccc(CNC(C)=O)cc3)[C@@H](C(=O)N(C)C)C2)no1 19698781 WFLSLKYBZOWILL-UXHICEINSA-N 426.517 2.207 0 40 IEAB CCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1OC 26533964 LXWTUJFFEIUZHZ-XDHOZWIPSA-N 439.468 2.196 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccccc1N1CCCC1 35399978 TXLIIEHRMFIOIP-UHFFFAOYSA-N 434.587 2.293 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)c1 40161676 MZCQQDMUVFSLHK-UHFFFAOYSA-N 441.387 2.207 0 40 IEAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c12 57589696 UXUNVTYVAMIUMY-JOCHJYFZSA-N 430.512 2.417 0 40 IEAB O=c1c2ccccc2c(CNS(=O)(=O)c2c(F)cccc2F)nn1CCN1CCCC1 96096336 LTYRMRYGYAHMII-UHFFFAOYSA-N 448.495 2.249 0 40 IEAB CN1CCN(C(=O)C[C@H]2CC3(CCN(S(=O)(=O)C4CC4)CC3)c3ccccc32)CC1 96242262 CKFOBFTWOSZJMJ-SFHVURJKSA-N 431.602 2.164 0 40 IEAB Cc1cccc(S(=O)(=O)NCCC(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)c1 217658496 PFYVNVXCNKUVHM-IBGZPJMESA-N 439.541 2.396 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCCn1ccnc1 223700537 FBBBMRGKRVKZKA-UHFFFAOYSA-N 434.562 2.205 0 40 IEAB Cc1noc(-c2ccn3c(CNC(=O)[C@H]4CCCN(C(=O)OC(C)(C)C)C4)nnc3c2)n1 225745216 ULVQGAXRYXSZMO-HNNXBMFYSA-N 441.492 2.351 0 40 IEAB COc1ccc(OC)c(N(CC(=O)N[C@H]2CCCC[C@H]2O)S(=O)(=O)c2ccccc2)c1 239425870 VKBYMAUYWIQTJK-AZUAARDMSA-N 448.541 2.319 0 40 IEAB Cn1c(=O)c2ccc([C@H]3CCCCN3C(=O)c3cc[nH]n3)nc2n(Cc2ccccc2)c1=O 257279592 OHIASLNVRXJXNR-HXUWFJFHSA-N 444.495 2.234 0 40 IEAB CS(=O)(=O)N[C@H]1CCN(C(=O)NC2CCCC2)C[C@]12CCN(Cc1cccs1)C2 306134571 NSJIFSWPFGDBFM-AZUAARDMSA-N 440.635 2.216 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1cc(OC)ccc1OC)c1ccc2c(c1)OCCO2 408706232 YEGYFRYLVBGHSS-UHFFFAOYSA-N 436.486 2.270 0 40 IEAB COc1ccc(CN(C)C[C@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)cc1 585269947 QWTWSALFFQAFQO-RUZDIDTESA-N 444.572 2.152 0 40 IEAB Cc1ccc(NC(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)cc1N1CCCC1=O 1775966451 FLBIWDKHNLCRKG-UHFFFAOYSA-N 440.466 2.451 0 40 IEAB Cn1c(=O)c2sccc2n2c(CCCC(=O)N3CCN(c4ccccc4)CC3)nnc12 9118920 QBOOGWVVWMFPAR-UHFFFAOYSA-N 436.541 2.314 0 40 IEAB Cc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)cc1 9870829 OHDLLJDWCDNXPS-UHFFFAOYSA-N 430.515 2.332 0 40 IEAB CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 9980880 ZLWURCYOWNZVKO-SNVBAGLBSA-N 437.374 2.363 0 40 IEAB CCOc1ccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300343 JMGDTPHJYIZCSF-UHFFFAOYSA-N 448.541 2.456 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)NCC1(c2ccccc2)CC1 10496734 ZXQWLHIWGUDUQN-UHFFFAOYSA-N 429.542 2.239 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC(C)(C)Cc3nc(N4CCCC4)ncc32)CC1 12254991 IWRZRWZNWDEOLD-GOSISDBHSA-N 449.621 2.268 0 40 IEAB COC(=O)C1CCN(C(=O)CNC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)CC1 12322730 TVDNHELKHSMYKE-UHFFFAOYSA-N 432.908 2.301 0 40 IEAB O=C(NCCOc1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12997291 SVUYWIOJGXOXSC-UHFFFAOYSA-N 425.457 2.060 0 40 IEAB CC(C)C(=O)Nc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 12998510 DXWBFBMFCGTZMO-UHFFFAOYSA-N 445.541 2.232 0 40 IEAB C[C@H](Sc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C)C(=O)N1CCC[C@@H](C)C1 13018212 FMKYRFKANZSIRP-OLZOCXBDSA-N 433.578 2.064 0 40 IEAB CCCCCCn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O 15224224 CPRZYXIVWIDYQW-OAHLLOKOSA-N 437.587 2.372 0 40 IEAB O=Cc1cc(I)c(OCC(=O)O)c(I)c1 16383340 JSFQBZAJDFMNII-UHFFFAOYSA-N 431.951 2.172 0 40 IEAB C[C@H](NC(=O)c1cccc(I)c1)c1ccc(S(N)(=O)=O)cc1 17852162 XUIAMMSVJFNFGO-JTQLQIEISA-N 430.267 2.430 0 40 IEAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)COc1ccc(F)cc1)C2 19708814 UMDWRONQNRELBS-MRXNPFEDSA-N 441.507 2.347 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)Oc2ccccc21 19933662 RLZAMVJKAXYTCJ-HXUWFJFHSA-N 443.525 2.478 0 40 IEAB COc1ccc(OC)c(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)c1 22333947 UTYYSCROBBMKLX-MRXNPFEDSA-N 436.530 2.362 0 40 IEAB COc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 24954486 MXXAFNFJPRVIBO-QGZVFWFLSA-N 438.436 2.266 0 40 IEAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 48374662 OVSTXBMSWCGGAY-UHFFFAOYSA-N 427.505 2.263 0 40 IEAB COc1cccc(CC(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)c1 49406008 KWLAIMBXAYQATA-UHFFFAOYSA-N 437.475 2.379 0 40 IEAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c1CCO 67301008 VPYJIDTXZLXPST-UHFFFAOYSA-N 425.416 2.260 0 40 IEAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1 69871504 VOZDNLSCYXQFCR-INIZCTEOSA-N 438.550 2.009 0 40 IEAB CCCc1sc(NC(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)nc1C(=O)OC 79493803 HKGAAJKHKQNQRA-LBPRGKRZSA-N 440.547 2.307 0 40 IEAB O=C(O)CNC(=O)c1ccc(NC(=O)c2cc(Br)c3c(c2)OCCO3)cc1 95425001 JAOQCEAGMSIZEJ-UHFFFAOYSA-N 435.230 2.287 0 40 IEAB C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCc2c(ncn2CCc2ccccc2)C1 95454686 GARSLQOSCNWUNS-FQEVSTJZSA-N 445.571 2.011 0 40 IEAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224724687 BCJIBFAOTWYDIE-UHFFFAOYSA-N 431.558 2.235 0 40 IEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1cccc(OC)c1 225153681 ALGZCNUERPITLI-FQEVSTJZSA-N 436.530 2.444 0 40 IEAB CC(=O)N1CCC(C(=O)N2CCC[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)CC1 257243481 IHEXWAVPZBYLSE-QFIPXVFZSA-N 435.952 2.462 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCCOC(C)C)C2)cc1OC 408562422 ZUMRPLZNAVMPAK-INIZCTEOSA-N 428.551 2.036 0 40 IEAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC2(C3)CN(C)C(=O)[C@H](C)O2)cc1Cl 1888890823 SSEAVVFKHXSJGU-IHRRRGAJSA-N 428.938 2.280 0 40 IEAB CCn1cc(S(=O)(=O)N(C)C2CN(c3ccc(-c4ccc(F)cc4)nn3)C2)nc1C 1888918256 OTTKIJXMOCIOFF-UHFFFAOYSA-N 430.509 2.317 0 40 IEAB CC(C)CCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 2652214 XQDJLGDUUXUNRC-UHFFFAOYSA-N 442.541 2.063 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1 6177123 GSXBQSOMPBWQEK-KRWDZBQOSA-N 447.557 2.207 0 40 IEAB CCc1cc2c(COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc(=O)oc2cc1O 9201878 JUWIPFNZXFYUIN-HOTGVXAUSA-N 425.437 2.446 0 40 IEAB COc1ccc(C(=O)NCc2nnc(S[C@H](C)C(=O)Nc3nccs3)n2C)cc1 9263394 ILLKHIDPLVOGGA-LLVKDONJSA-N 432.531 2.330 0 40 IEAB Cc1cccc(-n2ncc3c(=O)[nH]c(SCC(=O)N4CC(=O)Nc5ccccc54)nc32)c1 9595029 IHVGLAXNBGFUHX-UHFFFAOYSA-N 446.492 2.495 0 40 IEAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NCCC1=CCCCC1 9671571 VMVYMMXUZKKAKU-UHFFFAOYSA-N 433.574 2.306 0 40 IEAB CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1Cl 9877484 KKHXMOQOAONJNP-KRWDZBQOSA-N 449.916 2.497 0 40 IEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2cccc(Cl)c2)CC1 10188044 HLWANUILHSCLJG-UHFFFAOYSA-N 433.917 2.223 0 40 IEAB Cc1ccc(-c2nc(C(N)=O)c3c(n2)n(C(C)C)c(=O)n3CC(=O)NC(C)(C)C)s1 12236933 XBTISDSIFNHNDH-UHFFFAOYSA-N 430.534 2.224 0 40 IEAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1 12443071 PVINACDCJOXYQX-UHFFFAOYSA-N 432.506 2.451 0 40 IEAB Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCC(=O)N3CCNC3=O)nnc12 12528032 TVSCSCQDCUGZOT-UHFFFAOYSA-N 448.508 2.294 0 40 IEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12539742 CQGCPRCCLACIDS-UHFFFAOYSA-N 448.545 2.054 0 40 IEAB Cc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 15311162 QNRAGAGDXZYJEN-SFHVURJKSA-N 430.482 2.256 0 40 IEAB CCN1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1 19527853 BRTIEFKVQBWQAS-UHFFFAOYSA-N 431.558 2.363 0 40 IEAB CCOc1ccc(C(=O)NCCNC(=O)c2nc(Cn3nc(C)c(Cl)c3C)no2)cc1 21454921 FJDZTGWMPVWFDB-UHFFFAOYSA-N 446.895 2.143 0 40 IEAB C[C@H]1CN(C(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)C[C@@H](C)O1 22768075 DYIDBMUWIPVNML-OKILXGFUSA-N 425.464 2.235 0 40 IEAB COc1cc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc(Cl)c1OC 24775222 CMFIPXQXHIWGMV-UHFFFAOYSA-N 428.880 2.295 0 40 IEAB Cc1ccc2cc(CN(CCN3CCOCC3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 26100356 WIWBTWYZTLFWAQ-FQEVSTJZSA-N 444.601 2.024 0 40 IEAB CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 26783661 FDPMXYVRCAGQLU-UHFFFAOYSA-N 431.514 2.052 0 40 IEAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)c1 27663099 UMVCRZCBRDBTAN-CQSZACIVSA-N 448.566 2.480 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 32753071 RYHKXMPLEKFWQK-OXJNMPFZSA-N 448.516 2.311 0 40 IEAB CCCCCCn1c(N2CCN(Cc3ccccc3F)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952448 QLKYKMOHGDCHPQ-UHFFFAOYSA-N 442.539 2.465 0 40 IEAB COCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 57122061 JNGIDZQTQMURIE-UHFFFAOYSA-N 433.512 2.272 0 40 IEAB O=C(C[C@@H](CN1CCN(c2ccccc2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 61721252 TUKZJLXIEHIODA-KRWDZBQOSA-N 425.485 2.309 0 40 IEAB COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 61991186 MHTNSZSQTDOLMT-GIJXAMHUSA-N 441.553 2.264 0 40 IEAB biogenic Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)N(C)S(=O)(=O)N1 72335108 MEPCYIUPHLADTI-HIFRSBDPSA-N 432.333 2.254 0 40 IEAB O=C1N[C@@]2(CCCN(C(=O)CCCn3cnc4ccccc4c3=O)C2)Nc2ccccc21 72347560 QVYJQJKDGMPYBL-XMMPIXPASA-N 431.496 2.351 0 40 IEAB Cc1ccc(NC(=O)CSCC(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 95403717 PRMWYPQKEARXIU-QGZVFWFLSA-N 429.546 2.020 0 40 IEAB C[C@H]1CN(CCOc2ccc(CCNC(=O)c3ccc(OCC(N)=O)cc3)cc2)C[C@@H]1C 95460120 DKUNGDOTPYOCNE-OALUTQOASA-N 439.556 2.490 0 40 IEAB COc1cccc(NC(=O)C[C@H]2C(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)c1 100243034 GBSFVKBZAXDDJJ-GOSISDBHSA-N 445.479 2.406 0 40 IEAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 102591619 HWEUCZNYQNZZBK-HOTGVXAUSA-N 442.468 2.385 0 40 IEAB COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(Cl)c1OCC(=O)O 108153486 SISRGVJIUVKXLN-LFYBBSHMSA-N 434.788 2.067 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[nH]c(=O)c21 223055175 GDPLMALTWYNNLQ-ZIAGYGMSSA-N 425.489 2.388 0 40 IEAB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1ccc2c(c1)OCCO2 224816108 GZTMAXUPFPEOQD-UHFFFAOYSA-N 448.541 2.337 0 40 IEAB CNc1nc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CN(C(C)=O)CC2 257332604 XXZLKNJXWAUOEW-HNNXBMFYSA-N 447.536 2.049 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCCn1ccnc1)c1ccc(OCc2ccccc2)cc1 408624797 USIYLFBWTXFCRM-UHFFFAOYSA-N 442.541 2.435 0 40 IEAB CC(C)[C@H](C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1)n1nnc(-c2ccccc2)n1 539568679 AMSYHYKNOIAFJL-LJQANCHMSA-N 436.472 2.380 0 40 IEAB CCC(=O)N1CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)OC[C@@H](O)[C@@H](O)CC1 643577553 AFLYLFWOUBICHR-FCHUYYIVSA-N 446.588 2.346 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCC2)C12CCN(S(=O)(=O)C(C)C)CC2 1549166107 AEOLTUXDKZMPFX-HXUWFJFHSA-N 447.601 2.440 0 40 IEAB COc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(S(N)(=O)=O)c3)n2)cc1 2650958 BJQYFAMNMHBFSS-UHFFFAOYSA-N 447.494 2.262 0 40 IEAB O=C(/C=C/c1nc2ccccc2s1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3376452 ABYVUECEVYVCRL-BQYQJAHWSA-N 425.466 2.430 0 40 IEAB CCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(CC)cc1 6162113 VBZRGCPLGQKOIH-HNNXBMFYSA-N 432.546 2.318 0 40 IEAB Cc1cc(C)nc(SC[C@@H](C)Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1 8706377 JFCYFJGTZLQPIA-QMMMGPOBSA-N 439.339 2.021 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3CC3)CC2)c1 8735743 FIVXELZSEJRBHO-UHFFFAOYSA-N 427.526 2.206 0 40 IEAB C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)NC1CC1 8791596 VMPZSFLGZUGSIO-JYYJXNPCSA-N 428.492 2.421 0 40 IEAB biogenic C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCO1 9446927 IQZOTKDZUFDKAU-IPELMVKDSA-N 431.533 2.148 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)cc1 9467425 BAAGLLZQMMAPMS-UHFFFAOYSA-N 437.909 2.183 0 40 IEAB CN1C(=O)C(=C(Nc2ccccc2)SCC(=O)N2CCCCCC2)C(=O)N(C)C1=O 9974192 XFDAUIWMDWXTQG-UHFFFAOYSA-N 430.530 2.496 0 40 IEAB Cc1cn2c3c(=O)n(Cc4c(Cl)cccc4Cl)c(=O)n(C)c3nc2n1CCCO 10233352 YSEFHYAXPPRKQC-UHFFFAOYSA-N 436.299 2.195 0 40 IEAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 10968699 YRPJRLNWWIYEAB-AWEZNQCLSA-N 436.555 2.293 0 40 IEAB C[C@H](Cc1cccs1)NC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086640 GICJWAIJAMNLJC-WAIKUNEKSA-N 441.553 2.369 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)cc2C1=O 12391721 WNMPUJMGILQXFA-KRWDZBQOSA-N 447.495 2.382 0 40 IEAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1OC 13750570 QUXXOIIZNKCOEI-OTNPHJDUSA-N 431.448 2.301 0 40 IEAB CCN(CC)S(=O)(=O)c1c(C)nn(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1C 14244143 ZEDBEYJQANJZAE-AWEZNQCLSA-N 447.561 2.294 0 40 IEAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCN(C(=O)CCN3CCCC3)C2)n1 19694761 ZSRSJFQPGAOIQK-IBGZPJMESA-N 436.560 2.110 0 40 IEAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)Cc1cccc(OC)c1)CC2 19710329 CFJXYLKIDGAMQH-GOSISDBHSA-N 437.544 2.380 0 40 IEAB Cc1nc([C@@H]2CCCN2C(=O)Cn2c(=O)n(C)c3ccccc32)ncc1C(=O)N1CCCC1 19755930 MSVBQCJWKSZQKP-FQEVSTJZSA-N 448.527 2.038 0 40 IEAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 22797687 QXQJMJJBFSXVTD-CJHOVAGGSA-N 445.629 2.276 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(Cc2cccs2)CC1 23736144 AUUNIDQZZGJBCY-UHFFFAOYSA-N 449.598 2.035 0 40 IEAB CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(OC(F)F)cc1 24985556 KBPJDXOJXDSGOS-BBRMVZONSA-N 444.456 2.379 0 40 IEAB COC(=O)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccc(C)cc1 25457871 WIQRNJAIJQDZOP-WZONZLPQSA-N 441.459 2.322 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2ccccc2)cc1C 25767250 VLUQQFINQJPAAM-UHFFFAOYSA-N 445.585 2.359 0 40 IEAB O=C(c1cccs1)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 32755613 PITZCFLITZLSJZ-QGZVFWFLSA-N 447.582 2.133 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)C1 32903825 SSOLIYWDGZDXDY-HZPDHXFCSA-N 428.576 2.259 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)cc1 35897750 SHEWWNRKBLXNOI-GJJHYRHESA-N 446.569 2.340 0 40 IEAB C[C@@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)n1nnc2ccccc2c1=O 44225921 AYJVZSVVWKELDE-JTQLQIEISA-N 429.483 2.004 0 40 IEAB CCCCCNC(=O)C1CCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1 48368881 ZAGYIKARNSNNFO-HXUWFJFHSA-N 430.528 2.449 0 40 IEAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC(c3nc(-c4cccnc4)no3)C2)cc1 49483339 YDGQHUQNTPCFSP-UHFFFAOYSA-N 426.498 2.482 0 40 IEAB O=C1CN(C(=O)c2cnn(-c3ccc(Br)cc3F)c2-n2cccc2)CCN1 49544681 ZICMJFYPKRZYDV-UHFFFAOYSA-N 432.253 2.137 0 40 IEAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(COC[C@H]3CCCCO3)c2)C1 69458946 MNYFVUWTSJZDLJ-RBUKOAKNSA-N 425.551 2.318 0 40 IEAB COc1cc(OC)c(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c(OC)c1 71850246 CRRFHOFVTGKJSH-OAHLLOKOSA-N 440.543 2.243 0 40 IEAB COC(=O)[C@@H](C)[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)c1ccccc1 72313091 BTAKYGWFVMDNLA-SJCJKPOMSA-N 444.506 2.026 0 40 IEAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)c3nonc3C)[nH]c(=O)c2C1 72398804 DVJYBYPHSYSWLM-MRXNPFEDSA-N 440.529 2.367 0 40 IEAB O=C1N[C@H](CCc2ccccc2)C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 89830664 VFJLWFUTAUULRR-HXUWFJFHSA-N 436.512 2.044 0 40 IEAB CC1=C[C@@H]2C(=O)NC(CSCC(=O)Nc3ccc(Cn4cncn4)cc3)=N[C@@H]2S1 94992939 ZSYDHKUBHCTZGJ-DNVCBOLYSA-N 428.543 2.119 0 40 IEAB Cc1ccc(N2CCN(Cc3ccccc3)C3(CCN(CC(=O)N(C)C)CC3)C2=O)cn1 96230405 LUEPYKQOJKTNAW-UHFFFAOYSA-N 435.572 2.162 0 40 IEAB COC(=O)/C=C/[C@H](O)[C@H](O)CC/C(C)=C/[C@@H]1C=C(C)[C@H](C)[C@@H]2[C@@H](CC(C)C)NC(=O)[C@]12O 252507120 YUXUTEAAGHFKKH-KSVVUQSZSA-N 449.588 2.268 0 40 IEAB biogenic,in-vitro Cc1c(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCCCCC3)C2)cnn1C 257219548 DHFBKGBMHGJFPH-MRXNPFEDSA-N 434.566 2.036 0 40 IEAB Cc1nccn1Cc1cccc(C(=O)N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)c1 257233541 GPRAHDPNZDXCTC-DHIUTWEWSA-N 430.508 2.492 0 40 IEAB Cc1cc(N2C(=O)OC[C@@H]2Cc2ccccc2)nc(C2CCN(S(C)(=O)=O)CC2)n1 257300010 RSOCVLCGYMCHFE-SFHVURJKSA-N 430.530 2.492 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)CC1 604419078 XTMAVIVNTRXLFK-OAQYLSRUSA-N 448.479 2.102 0 40 IEAB CCN(CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)c1ccccc1C 1543013105 CYJDVLHRBLMJRD-KNQAVFIVSA-N 427.520 2.281 0 40 IEAB COc1ccc(/C=c2\sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC 2358954 BHUIIQIJQMRWQD-ZDLGFXPLSA-N 425.466 2.400 0 40 IEAB CC(=O)c1nc2ccccc2n(CCOCCn2c(=O)c(C(C)=O)nc3ccccc32)c1=O 2411248 OLVPZIBTWLIYFI-UHFFFAOYSA-N 446.463 2.228 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1C 3302803 MEZDMYWSPXZBGF-UHFFFAOYSA-N 429.473 2.440 0 40 IEAB CCN(C(=O)CSc1nnc2c3ccccc3n(CC)c2n1)[C@@H]1CCS(=O)(=O)C1 3383981 SSTIOAQMTGNLIW-CYBMUJFWSA-N 433.559 2.127 0 40 IEAB Cc1csc(SCC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)n1 5261925 WJXCEQYDIFVMIR-UHFFFAOYSA-N 425.580 2.321 0 40 IEAB COc1cc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)C4CCCCC4)CO[C@H]23)cc(OC)c1 6131122 KBLDWQSROKLGSN-MTQWCTHYSA-N 434.489 2.484 0 40 IEAB biogenic,in-vitro C[C@H](NC(=O)CNC(=O)CNS(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1 8935875 VZOKJGBPQPAUFK-KRWDZBQOSA-N 439.537 2.253 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O 9127907 PLZDXKJZHGEQNV-UHFFFAOYSA-N 442.299 2.061 0 40 IEAB CCCSc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 9369170 GNPWHTHTJQBBTH-UHFFFAOYSA-N 428.561 2.313 0 40 IEAB COc1ccc(-c2cc(C(=O)NCc3cc(=O)n(C)c(=O)n3C)c3ccccc3n2)cc1 9418428 TVFHZZCQMUVSIY-UHFFFAOYSA-N 430.464 2.238 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 9468420 VJZMWFLMUWHAMH-UHFFFAOYSA-N 445.541 2.107 0 40 IEAB O=C(OCCOc1ccc(F)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 10930593 DBIXFRAWFJFFSN-UHFFFAOYSA-N 427.425 2.222 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)CS[C@@H]2CCc3ccccc3N=C2O)cc1 11865935 GKUQXJNYVUHTGE-GOSISDBHSA-N 433.555 2.329 0 40 IEAB COc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)N2CCCCC2)cc1 12568781 GPNKHEDVBNHLLC-AUSIDOKSSA-N 428.533 2.059 0 40 IEAB C[C@H]1CN(C(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C[C@@H](C)O1 12632062 NNWKKJSAXDUTQD-IYBDPMFKSA-N 438.480 2.395 0 40 IEAB CC1(C)CCc2c(cc(OCC(=O)N3CCNC(=O)C3)c3c4c(c(=O)oc23)CCCC4)O1 12898035 ANDIZMWDTUJBAI-UHFFFAOYSA-N 440.496 2.113 0 40 IEAB biogenic COc1ccc(OC)c(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)c1 12981913 ADNDCVMDCQFENP-UHFFFAOYSA-N 429.292 2.044 0 40 IEAB O=C(CSc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 14692636 CZJGWAZJNDWQQG-UHFFFAOYSA-N 434.539 2.083 0 40 IEAB Cc1cc(C)cc(-n2ccn3c(CCC(=O)NCc4ccc5c(c4)OCO5)nnc3c2=O)c1 15736344 NJDGGMZILBRIPP-UHFFFAOYSA-N 445.479 2.475 0 40 IEAB COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)c(OC)c1 16735556 YAPFGZNOMQBNGY-ZDLGFXPLSA-N 441.896 2.320 0 40 IEAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1ccc2c(c1)OCCO2 16851183 HOPLBWOPLGVYGN-UHFFFAOYSA-N 426.454 2.426 0 40 IEAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CCCO1)[C@@H]1Cc2ccccc2CN1 17056943 MOTHUJKQNSAOTL-FGCOXFRFSA-N 446.551 2.205 0 40 IEAB biogenic COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 17161709 ZBRWXWZARNSUKQ-GJZGRUSLSA-N 446.525 2.268 0 40 IEAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc21 17286715 XOAKPWUWLYCGJM-UHFFFAOYSA-N 441.509 2.414 0 40 IEAB Cn1cc(C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(Cc3cccs3)CC4)C2)cn1 19290555 CDOZCUZXZYEDDO-OAHLLOKOSA-N 438.557 2.143 0 40 IEAB COc1ccc(OC)c(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)c1 19448251 CMKHEURBZDDBGR-FQEVSTJZSA-N 440.544 2.460 0 40 IEAB COc1cc(C(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1OC 19549485 RCRDTUVOCSHMRX-OAHLLOKOSA-N 436.468 2.487 0 40 IEAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN(CC(=O)N5CCC5)C4)nc32)cc1 19743767 MFCNJTCBTPFDHV-IBGZPJMESA-N 449.555 2.295 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccn3)CC2)cc1 21773287 NQKUYQHDZJCXJU-UHFFFAOYSA-N 445.541 2.018 0 40 IEAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCN(c2cnccn2)CC1 25119602 VSUAUNWUVUNVOZ-KRWDZBQOSA-N 429.908 2.092 0 40 IEAB COc1cc(N2C[C@H](C(=O)NCc3ccccc3CN(C)C)CC2=O)cc(OC)c1OC 30563980 YQQYFUCKEHGQHT-GOSISDBHSA-N 441.528 2.443 0 40 IEAB O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)C1 31772944 NFYPHLRMJNOHJH-MRXNPFEDSA-N 449.959 2.102 0 40 IEAB C[C@@H](OC(=O)CC[C@@H]1NC(=O)NC1=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 32689187 FFHDZCMCBAVKCY-HIFRSBDPSA-N 441.488 2.028 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)NCCCc2nnc(SC)n2CC(C)C)cc1 40005775 HSTINIKLCKLURX-UHFFFAOYSA-N 426.564 2.354 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 44838952 VHLTVQSXWZBNDV-UHFFFAOYSA-N 449.330 2.459 0 40 IEAB COC(=O)c1ccccc1NC(=O)CSc1ncnc2nc(N3CCOCC3)sc12 57506862 HJPINAGWCDCKGU-UHFFFAOYSA-N 445.526 2.440 0 40 IEAB CCC[C@@H](C(=O)N1CCN(Cc2ccncc2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1 78968791 XQSFSLOLEGMTGN-NRFANRHFSA-N 445.608 2.447 0 40 IEAB C[C@@H]1C[C@@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CN1Cc1ccccc1 79100051 QELNPCHHPKVLMX-DENIHFKCSA-N 429.586 2.460 0 40 IEAB O=C([C@H](NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1)N1CCCC1 84519403 XCQKQIWWQADRIJ-JOCHJYFZSA-N 443.569 2.161 0 40 IEAB COC(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2Cl)cc1 95995708 KJEFQMAQZMQIOI-UHFFFAOYSA-N 446.934 2.291 0 40 IEAB COc1cccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4cccnc4)CC3)O2)c1 96036644 ULGWLYALDQKDHH-QFIPXVFZSA-N 447.539 2.493 0 40 IEAB O=C(Cn1nc2n(c1=O)CCN(Cc1ccccc1F)C2=O)Nc1cccc(Cl)c1 98213089 QMEANOKRSHJXII-UHFFFAOYSA-N 429.839 2.132 0 40 IEAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 100201229 DJDFGWYRVHKPDU-ROUUACIJSA-N 441.557 2.116 0 40 IEAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCc1ccc3c(c1)OCO3)=C2C 219189779 KQVPRGBAHUSUHR-UHFFFAOYSA-N 446.481 2.260 0 40 IEAB C[C@H](O)c1ccc(C2(CNS(=O)(=O)c3ccc(OCC(N)=O)cc3)CCCC2)s1 225684675 YANYXWNRDFMDHP-AWEZNQCLSA-N 438.571 2.456 0 40 IEAB COc1ccccc1CCN1CC(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@H]21 230035577 NRAVIPCMUUVSPL-RTBURBONSA-N 434.945 2.406 0 40 IEAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)COc1c(C)cccc1C)CC2 257253767 KAFRLMKPLDWVQV-SFHVURJKSA-N 437.544 2.435 0 40 IEAB CC[C@H]1CCCCN1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 260790400 ANEOJVYFOSHCFF-KRWDZBQOSA-N 441.594 2.095 0 40 IEAB Cc1cccnc1NC(=O)c1cn2c(nc1=O)[C@@]1(CCN(C(=O)c3ccccc3)C1)CC2 306124579 BTWHTGGOWLAWOQ-XMMPIXPASA-N 429.480 2.387 0 40 IEAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 409293071 GXPBSEYLMMYUQA-GPINWOSQSA-N 440.235 2.259 0 40 IEAB O=C(NCc1ccc(Cn2cccn2)cc1)C(=O)N(CCCO)[C@@H]1CCc2ccccc21 559883074 WVWWGUUIBCDWJA-HSZRJFAPSA-N 432.524 2.446 0 40 IEAB O=C(NC[C@@H]1CCc2ccccc2C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 679798346 PCAKJHOANDESMR-VMRPVKRXSA-N 448.972 2.385 0 40 IEAB COc1ccc(OCc2nnc(SCC(=O)NC(N)=O)n2-c2ccccc2F)cc1 2649342 UHVMJCZCPRAOKG-UHFFFAOYSA-N 431.449 2.281 0 40 IEAB CCOC(=O)CNC(=O)c1cc2c(n(-c3ccc(OC)cc3)c1=O)CC(C)(C)CC2=O 2809837 CMCAWQHMPYOHQW-UHFFFAOYSA-N 426.469 2.294 0 40 IEAB Cc1nnc(SCc2cc(=O)[nH]c(NC(=N)Nc3ccc4c(c3)OCCO4)n2)s1 8993364 RLNZFRMOWSBIEM-UHFFFAOYSA-N 431.503 2.452 0 40 IEAB O=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 9233989 CVVKCZJBHKKLIC-MRXNPFEDSA-N 427.526 2.419 0 40 IEAB CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 9259038 BYDCCPRASWWSCY-LDADJPATSA-N 437.452 2.468 0 40 IEAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)NC1CC1 9496610 SWPZJNVVTMPMDI-CYBMUJFWSA-N 432.498 2.398 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 9663439 UGORYDCKWZYYJR-UHFFFAOYSA-N 434.470 2.241 0 40 IEAB CN1C(=O)c2cccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)c2C1=O 10186835 NAEYJMDYINHJDI-UHFFFAOYSA-N 433.511 2.013 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2)cc1C 10301701 DTBFVHRZPPLISZ-UHFFFAOYSA-N 432.542 2.443 0 40 IEAB CN(C)Cc1ccc(C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 12089455 VVQJBMPKHMBAIG-NRFANRHFSA-N 428.558 2.331 0 40 IEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cn(Cc2ccccc2)nn1 12917915 PCBAJFHLSSFNPW-VAWYXSNFSA-N 444.495 2.251 0 40 IEAB CCCc1nnc(SCC(=O)N[C@H](c2ccccc2)c2nccn2C)n1CC(=O)O 13402640 RPFGMEJDBNVYPD-GOSISDBHSA-N 428.518 2.047 0 40 IEAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 16695003 IURCCSCEFQMODC-UUOWRZLLSA-N 435.480 2.462 0 40 IEAB O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccc2nsnc12)N1CCCC1 19079129 PFIYKKORZCMJJR-QGZVFWFLSA-N 428.539 2.429 0 40 IEAB COc1cccc(CC(=O)N2CC[C@H](c3ccnc4c(Cn5cncn5)c(C)nn34)C2)c1 19707615 NZMATFFVMCAJAA-SFHVURJKSA-N 431.500 2.245 0 40 IEAB CNc1ncc(C(=O)N2CCO[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)cn1 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IEAB O=C1CN(c2ccc(NC(=O)N(C[C@@H]3CCCO3)C[C@@H]3CCCO3)cc2Cl)CCN1 48325587 ZATVACXSIVOBAW-IRXDYDNUSA-N 436.940 2.468 0 40 IEAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccc(SC)cc1 67286912 ZIXRQNXYQKIFKX-IBGZPJMESA-N 447.557 2.419 0 40 IEAB COCCN1C[C@@H](C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3C)c2)CC1=O 72351919 BXQFFHZDKQVXQX-JTHBVZDNSA-N 449.551 2.026 0 40 IEAB CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)CN4C(=O)CNC4=O)C3)n[nH]2)cc1 72371604 GSNPQOZFLYKBHO-KRWDZBQOSA-N 439.516 2.022 0 40 IEAB O=C(CN1N=C(c2ccccc2F)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1 90610194 XNRNVUAQUZJXQG-UHFFFAOYSA-N 437.880 2.095 0 40 IEAB O=S1(=O)N=C(NCCCCCCNC2=NS(=O)(=O)c3ccccc32)c2ccccc21 95470280 HFUZGBAYUFLQNB-UHFFFAOYSA-N 446.554 2.024 0 40 IEAB O=C(Nc1ccccc1Cl)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1cccnc1)S3(=O)=O)O2 96146009 YSTXHDWAWJOJGJ-BPAFIMBUSA-N 448.932 2.324 0 40 IEAB Cc1[nH]c(=O)sc1S(=O)(=O)NCCNc1nc(-c2cccnc2)nc2ccccc12 97143613 PXNLLXZGPLIABK-UHFFFAOYSA-N 442.526 2.140 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222732650 XXMXJYGDFJFORN-QGZVFWFLSA-N 443.569 2.223 0 40 IEAB Cn1cnnc1S(=O)(=O)C1CN(C(=O)CCc2ccc(Cl)c(C(F)(F)F)c2)C1 244970130 HLBDYDHGRWRJOU-UHFFFAOYSA-N 436.843 2.105 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](c2ccoc2)N2CCSCC2)cc1 253408477 XYSICPIAKUAUII-SFHVURJKSA-N 449.554 2.001 0 40 IEAB CCN1CCN(C(=O)C2=NNC(=O)CC2)[C@@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 257233420 GPEPLTQPJNVDCQ-QFIPXVFZSA-N 448.523 2.230 0 40 IEAB COc1ccccc1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408654853 GXNOMTKOPNIYDB-UVPINQTDSA-N 428.485 2.233 0 40 IEAB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408704518 OVYAPIYRVNRPGD-OAHLLOKOSA-N 434.514 2.280 0 40 IEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(C(=O)c3ccccc3)CC1)C2=O 3417335 YQLPUTLVAFWGTL-BXKMTCNYSA-N 440.544 2.108 0 40 IEAB CNC(=S)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C[C@@H]1C 8670499 SQGQWUALLOIMST-NSHDSACASA-N 448.520 2.197 0 40 IEAB CCN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 8724626 LJLXJTDMRNOVKD-CQSZACIVSA-N 440.616 2.393 0 40 IEAB COc1ccc(OC)c(C2=NO[C@@](CC(=O)O)(C(=O)Nc3ccc4c(c3)OCCO4)C2)c1 9348636 VDEXCSVIQOIWKS-QFIPXVFZSA-N 442.424 2.452 0 40 IEAB CCOC(=O)c1oc2ccccc2c1COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 9669872 WJGGPTOYOSNOEX-UHFFFAOYSA-N 430.438 2.150 0 40 IEAB COc1cc(Cl)c(C)cc1-n1ccn(CC(=O)NCCc2ccccc2)c(=O)c1=O 9808661 XBNNBOSGHJYRJU-UHFFFAOYSA-N 427.888 2.329 0 40 IEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 9883874 UXGAFRSESNWGOZ-OAHLLOKOSA-N 428.452 2.346 0 40 IEAB CCN1C(=O)[C@@]2(OCc3ccccc3N2C(=O)CSc2nnnn2C)c2ccccc21 10157819 XFUQYWDNGJGJPF-NRFANRHFSA-N 436.497 2.085 0 40 IEAB CCc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(C(=O)OC)Nc3nnnn32)cc1 10232179 WZFYIMCAQRKFQL-GOSISDBHSA-N 434.412 2.469 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2)C1=O 11859359 XQRIDRCMJSCCJN-MRXNPFEDSA-N 442.541 2.003 0 40 IEAB CCc1c(C)nc(C2CCN(C(=O)CCCN3CCCC3=O)CC2)nc1N1CCOCC1 12142991 SJURXBQBWMIWFX-UHFFFAOYSA-N 443.592 2.293 0 40 IEAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1cc3nc(C4(C)CC4)cc(C(F)(F)F)n3n1)C2 12143187 VIGUJVMUMJLYIM-UHFFFAOYSA-N 432.406 2.390 0 40 IEAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12558852 DZIBSNFZXQYRRD-UHFFFAOYSA-N 432.452 2.297 0 40 IEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12881225 UGCFLNZPXFZHKW-UHFFFAOYSA-N 438.509 2.334 0 40 IEAB COc1ccc(S(=O)(=O)CC(=O)/N=c2/sc3cc(OC)c(OC)cc3n2C)cc1 13036557 MZXDTXUVXPUXCQ-FMQUCBEESA-N 436.511 2.167 0 40 IEAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c1 13566299 KXESMHQFZLUYEV-HNNXBMFYSA-N 447.513 2.072 0 40 IEAB Cc1csc(CC(=O)N2CCN(C(=O)CSc3ncnc4sccc34)CC2)n1 14242406 BTTYPLSZYAJFBC-UHFFFAOYSA-N 433.584 2.462 0 40 IEAB O=c1cc(CSc2nnnn2-c2ccccc2)[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c12 17099485 WVJFFOHCVHOLDM-UHFFFAOYSA-N 435.444 2.414 0 40 IEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 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CC(=O)[C@@H]1CC(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)=NN1c1ccccc1 58226979 OLORSWYTHAIHNZ-QHCPKHFHSA-N 447.539 2.430 0 40 IEAB C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326363 YBGFMKJKBNBSMC-UZEJHQAJSA-N 449.555 2.472 0 40 IEAB CN1CCC(C(=O)N2CCC(Cc3nn(C)cc3C(=O)NCc3ccccc3)CC2)CC1 72354980 ZXDBVTWGEBJCGE-UHFFFAOYSA-N 437.588 2.473 0 40 IEAB COc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1OC 84037426 YEMMANXMFCDQSS-SFHVURJKSA-N 432.565 2.051 0 40 IEAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 95481456 VCQJUXDAKRZTIZ-UXHICEINSA-N 437.456 2.198 0 40 IEAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCC1 100430804 XHVCDDNFVURJPI-SUUPOSDHSA-N 429.561 2.053 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OC(C)=O)c(OC)c3)C2=O)o1 108976752 LTXQRDGGVQVJSY-AUWJEWJLSA-N 444.396 2.102 0 40 IEAB CN(CCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccccc1 219973056 LZYRSNNMHQAZGN-UHFFFAOYSA-N 431.558 2.105 0 40 IEAB CCOc1ccc(N(CCCC(=O)N2CCC(C(=O)OC)CC2)S(C)(=O)=O)cc1 222622948 VVCRNZZAQHTYPP-UHFFFAOYSA-N 426.535 2.043 0 40 IEAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC)S(C)(=O)=O 225193537 CKAZKYFUXCNXGH-KRWDZBQOSA-N 447.557 2.015 0 40 IEAB O=c1c2c(nc3ccc(F)cn13)CCN(S(=O)(=O)c1ccc(Br)s1)C2 225785062 LNIXFOJVWRLDGF-UHFFFAOYSA-N 444.307 2.405 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)Cc1ccccc1 226034914 IFFMLHHJCMDCDM-UHFFFAOYSA-N 429.542 2.252 0 40 IEAB CC1(C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)CCN(c2ncccn2)CC1 257278430 OCFXXFOGAHPMER-VWLOTQADSA-N 449.555 2.113 0 40 IEAB CCc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 260571675 AUQSDSNSIPGZAZ-GOSISDBHSA-N 445.585 2.487 0 40 IEAB Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@H](OC1CCOCC1)c1ccccc1 1636632851 BVDPBAUBGMVELA-YWZLYKJASA-N 433.530 2.093 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(c2ncnc(-c3ccccc3)c2F)CC1 1775971390 NOLHSLFIBKDWKG-UHFFFAOYSA-N 430.509 2.144 0 40 IEAB CC(C)OC(=O)c1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 648285 GZECYWSMZIKHJK-MHORFTMASA-N 431.441 2.410 0 40 IEAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ncc(C)s3)n2C)cc1 2143463 UHPDETCPKYMWOX-UHFFFAOYSA-N 446.558 2.178 0 40 IEAB Cc1ccc(Cl)cc1N1CCN(C(=O)CNC2=NS(=O)(=O)c3ccccc32)CC1 8706982 RWHDNGJDDHGIAG-UHFFFAOYSA-N 432.933 2.036 0 40 IEAB COc1cccc(-c2nc(SCCN3CCCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 8900671 WTCWNCYWZIEKGG-UHFFFAOYSA-N 441.557 2.281 0 40 IEAB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1ccc(N2CCOCC2)cc1 9441250 XENNXZNGJDELMT-UHFFFAOYSA-N 436.468 2.188 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C)NC(=O)c2ccco2)sc2c1CCC2 9883624 PCMYDAAQUGMSHF-LLVKDONJSA-N 434.470 2.307 0 40 IEAB COc1cccc(CNC(=O)Cn2nc(-c3cc(OC)c(OC)c(OC)c3)ccc2=O)c1 10220828 QETHDXIJHZMNPU-UHFFFAOYSA-N 439.468 2.261 0 40 IEAB COc1cc([C@H]2c3c(-c4ccc(OC)c(OC)c4)nnc(O)c3Nc3nnnn32)ccc1O 10297290 GTCLGGIPPVNCHP-IBGZPJMESA-N 449.427 2.262 0 40 IEAB Cc1nc(COc2ccc(C(=O)OCC(=O)Nc3ccccc3S(C)(=O)=O)cc2)no1 12076985 NSKOFFDRLLRGDB-UHFFFAOYSA-N 445.453 2.156 0 40 IEAB CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1)c1ccc(C)cc1 12784987 DJUZCHDPVPDGCY-IBGZPJMESA-N 446.573 2.101 0 40 IEAB Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c(C)c1 12846904 VQRDGJBHYXDBKM-UHFFFAOYSA-N 445.541 2.207 0 40 IEAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCO1 13592760 IQZOTKDZUFDKAU-MNEFBYGVSA-N 431.533 2.148 0 40 IEAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 16227356 QSKYCZORPURCSE-UHFFFAOYSA-N 448.541 2.226 0 40 IEAB O=C(c1ccc(F)cc1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1 19332112 MNXUZKXWBKVAIO-UHFFFAOYSA-N 440.519 2.466 0 40 IEAB O=C([C@@H]1CCOC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349276 KLEIQXSPYQIWMK-OXQOHEQNSA-N 426.492 2.167 0 40 IEAB CC(C)S(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@@H]3CC34CCC4)[nH]c2=O)C1 19451086 BXAJVLVYKLQSJU-WMZOPIPTSA-N 448.589 2.110 0 40 IEAB COc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC[C@H]1C)C[C@@]1(CCC(=O)N(C)CC1)O2 19496266 UDAASQOSZPENSQ-OSPHWJPCSA-N 443.544 2.312 0 40 IEAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)Cc1cccc(OC)c1)C2 19708730 JLRVTSAVLFOMKB-GOSISDBHSA-N 437.544 2.380 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)c1 20716009 TYAVFDONXLRRSU-SFHVURJKSA-N 437.496 2.041 0 40 IEAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(OC)cc2)N(NC(=O)CCc2ccccc2)C1=O 22133946 LEXOQANLCFLRQQ-LJQANCHMSA-N 438.484 2.341 0 40 IEAB COc1ccc(OC)c([C@H](c2sc3nc(C)nn3c2O)N2CCN(C(C)=O)CC2)c1 22627509 HYVJJOSGQXWYIN-QGZVFWFLSA-N 431.518 2.076 0 40 IEAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1 24632510 BBOSGGIKBLZPSS-NRFANRHFSA-N 447.532 2.169 0 40 IEAB CCOC(=O)[C@@]1(C(C)=O)Sc2nnc(C)n2N(C(C)=O)[C@H]1c1ccc(OCC)cc1 27300573 XNBCCCSPLSUMCJ-PXNSSMCTSA-N 432.502 2.208 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](C(C)C)N1CCOCC1 32901142 VSOUMLGYNSKOCO-RBUKOAKNSA-N 446.013 2.116 0 40 IEAB CCOC(=O)[C@H](C)Oc1cccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c1 33914848 QLKSERPWNXSKNR-MFVBVHDHSA-N 442.424 2.490 0 40 IEAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 36705813 BWRDNGOODODMFW-UHFFFAOYSA-N 439.328 2.480 0 40 IEAB CCc1c(C)nc2n(c1=O)CN(CCCN1CCOCC1)CN2c1ccc(OC)cc1 38829961 MDHYBSPTYLTHPH-UHFFFAOYSA-N 427.549 2.214 0 40 IEAB O=C(CN1CCN(C(=O)c2ccc(OCc3cn4ccccc4n3)cc2)CC1)N1CCCC1 57326724 YUMLXQBUWMVKGL-UHFFFAOYSA-N 447.539 2.294 0 40 IEAB Cc1nc(C2CCN(C(=O)CCCN3CCCC3=O)CC2)nc(N2CCOCC2)c1C 72337178 QIZDAWMELZIKRK-UHFFFAOYSA-N 429.565 2.039 0 40 IEAB CC(C)Cc1cc(C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n(C)n1 72338908 HYXVWOXCEDXEOM-HXUWFJFHSA-N 431.562 2.201 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 72403135 ZSUHSWTYNGXHPG-SFHVURJKSA-N 436.965 2.475 0 40 IEAB Cc1nnc(CNC(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)n1C 95959015 XEQACNSVXFCHIQ-UHFFFAOYSA-N 444.215 2.416 0 40 IEAB COc1cn(CC(=O)N2CCO[C@@H](c3ccccc3)C2)c(CN2CCCCC2)cc1=O 96118302 HLTJJIRGXAMHMN-JOCHJYFZSA-N 425.529 2.443 0 40 IEAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(S(=O)(=O)C4CC4)CC3)c3ccccc32)CC1 96242261 CKFOBFTWOSZJMJ-GOSISDBHSA-N 431.602 2.164 0 40 IEAB NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 113938964 ZRXXTMAKJAOJQN-HXUWFJFHSA-N 437.477 2.381 0 40 IEAB CCOC(=O)CS[Sn](Cl)(Cl)SCC(=O)OCC 195899803 UKSPBVVOEMJCTJ-UHFFFAOYSA-J 427.947 2.492 0 40 IEAB CCc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 224026155 YKGXIQZKNLNVDT-UHFFFAOYSA-N 432.542 2.387 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC[C@H]3CCCC[C@H]3C2)C1=O 245264190 BXHQHIHLEYCRGC-VBURHUQHSA-N 427.501 2.264 0 40 IEAB O=C(NCCn1nc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)c2cccnc21)C1CC1 257279878 OINLPJJUKPDJJW-QZTJIDSGSA-N 425.533 2.233 0 40 IEAB C[C@H](Oc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1)C(=O)NC1CCCCC1 408604297 LWGDJIFIQMAPKC-KRWDZBQOSA-N 434.562 2.468 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408704740 SDCJRBQSJPWFDV-ZDUSSCGKSA-N 433.486 2.209 0 40 IEAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCNc1ncccn1 524733094 TYHRYLKICMVBPP-OAQYLSRUSA-N 442.479 2.210 0 40 IEAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)cc1 2620660 JKOYHRIYWOEVBO-UHFFFAOYSA-N 430.515 2.192 0 40 IEAB COc1ccc2nc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N(C)C)c3)sc2c1 3222037 MNADLTPZMNSOJP-UHFFFAOYSA-N 449.510 2.351 0 40 IEAB Cc1ccc(NC(=O)COC(=O)c2ccccc2SC[C@]2(C)NC(=O)NC2=O)cc1 3340040 SKARPBFYLAKFCZ-NRFANRHFSA-N 427.482 2.481 0 40 IEAB CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)cc1 6577812 IOMWJODBYIOXCO-UHFFFAOYSA-N 436.497 2.321 0 40 IEAB aggregator Cc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccco4)s3)CC2)cc1 9252331 OJIBOASFFLVRRH-UHFFFAOYSA-N 433.515 2.203 0 40 IEAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(OC)c4OC)nc32)cc1 9739077 XMXBFGZENJQMFD-UHFFFAOYSA-N 435.440 2.291 0 40 IEAB COc1ccccc1N(CC(=O)NCCCN1CCCC1)S(=O)(=O)c1ccccc1 10450045 GPOCSDRICJDMCU-UHFFFAOYSA-N 431.558 2.493 0 40 IEAB COc1ccccc1N1CCN(C(=O)Cn2nc(C)n3c(cc4ccsc43)c2=O)CC1 12088503 XEAANJJSMXXFEL-UHFFFAOYSA-N 437.525 2.377 0 40 IEAB COc1cccc(COc2cn(C)c(C(=O)N3CCN(c4ccccn4)CC3)cc2=O)c1 12167416 PBURZSBJTSXFLO-UHFFFAOYSA-N 434.496 2.330 0 40 IEAB C[C@@H]1CCc2c(sc3nc(SCC(=O)O[C@H]4CCS(=O)(=O)C4)nc(N)c23)C1 12557557 NLJDWJCTPNUUMX-ZJUUUORDSA-N 427.573 2.221 0 40 IEAB CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O 13361756 WYAMNJUPQNEGOI-RXFVIIJJSA-N 436.504 2.449 0 40 IEAB biogenic,in-vitro Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2cccs2)no1 13505879 QBBYWDMFLBTETN-OAHLLOKOSA-N 434.518 2.087 0 40 IEAB COc1ccc(OC)c(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)c1 19448249 CMKHEURBZDDBGR-HXUWFJFHSA-N 440.544 2.460 0 40 IEAB NC(=O)c1ccc(-c2nccnc2[C@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)cc1 19693241 IYNMIFCTQQGBAV-LJQANCHMSA-N 435.459 2.394 0 40 IEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C(C)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 20332292 NKHQJQHABUHZFN-HZQOKBKYSA-N 446.463 2.399 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc1 20721044 PZEBWODQDJLSBD-UHFFFAOYSA-N 440.525 2.283 0 40 IEAB COc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)c(OC)c1 23139215 OOZQBDSEUVAXOG-CQSZACIVSA-N 446.529 2.195 0 40 IEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 36569779 WRUYDQZAHINRCD-HXUWFJFHSA-N 446.463 2.015 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C(C)C)cc1 40122298 AMQCJDLDDVTVQY-ICSRJNTNSA-N 435.590 2.063 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc(N3CCCC3=O)cc1)O2 44938443 MMKRJHOFNBKIKS-IBGZPJMESA-N 429.498 2.288 0 40 IEAB C[C@H]1CCc2n[nH]c(C(=O)N3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c2C1 72338855 MTQITXYTDQBUHZ-RBZFPXEDSA-N 429.546 2.117 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2cccc(NC(=O)N(C)C)c2)c(C)c1 95401342 PLLOHHMDQQTRQI-UHFFFAOYSA-N 432.546 2.382 0 40 IEAB O=c1ccc(-n2ccc3ccccc32)nn1CCNS(=O)(=O)c1c(F)cccc1F 96097976 DCCVEDSUMZQEJW-UHFFFAOYSA-N 430.436 2.444 0 40 IEAB CC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 100033157 ZHZTYZGUSURTFU-ROUUACIJSA-N 425.832 2.475 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21)Nc1ccccc1 101174242 XZDGVDMXIMBFSD-HOTGVXAUSA-N 428.246 2.381 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc(I)cc1 222369817 ZICDEKHPZFJWES-QYPXNLQLSA-N 448.260 2.283 0 40 IEAB CSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)s1 225152010 YYSPDLZUPOSJOT-UHFFFAOYSA-N 428.546 2.473 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225192954 UGPYHZNLEOHCJA-OAHLLOKOSA-N 437.949 2.269 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225424439 OEKDETHKYMGSNC-QGZVFWFLSA-N 449.548 2.372 0 40 IEAB C[C@]12C[C@@H]3N[C@H]1CCC[C@H]2N(C(=O)CN1CCCCS1(=O)=O)[C@H]3Cc1ccccc1 257251078 JPHUWBKXRVQELX-XANJAXJYSA-N 431.602 2.155 0 40 IEAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(C(=O)O)cc3)c2=O)=N1 409037098 MYKROSHTRIGAHE-LVSKKATPSA-N 448.500 2.497 0 40 IEAB CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2F)C1=O 409216374 HRJZHBBWDCRLOV-GZTJUZNOSA-N 441.415 2.299 0 40 IEAB CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)c2cc(=O)n(C)c3ccccc23)CC1 501137634 VLNZBYPSZMWGME-HSZRJFAPSA-N 444.535 2.274 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575612766 MOZPESZISXFRKC-MRXNPFEDSA-N 436.921 2.208 0 40 IEAB CC(C)NC(=O)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccccn1)C2 585107409 VASDQHQIVBUQSB-DEOSSOPVSA-N 430.512 2.353 0 40 IEAB NC(=O)c1cc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(C(N)=O)c1 586786145 MJKMSKXNKJMRQG-FQEVSTJZSA-N 430.464 2.384 0 40 IEAB COCCn1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc2c1=O 2661633 XFXVASVKXFELGF-UHFFFAOYSA-N 426.498 2.161 0 40 IEAB CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1S(=O)(=O)C(F)F)CS(=O)(=O)C2 8910092 NKWLZQSODDTFJB-UHFFFAOYSA-N 447.485 2.315 0 40 IEAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O 8935672 RZQYKOITKBDQEY-OAQYLSRUSA-N 446.410 2.081 0 40 IEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 8965977 CFSHCFCFUNJSCY-AUUYWEPGSA-N 445.479 2.395 0 40 IEAB CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 9714356 DMCMKHBUXFSNTQ-UHFFFAOYSA-N 430.940 2.047 0 40 IEAB COc1ccc(NC(=O)COCC(=O)N2CCN(c3ccccc3F)CC2)c(OC)c1 9907267 PQSVMRYXGCRARY-UHFFFAOYSA-N 431.464 2.147 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C1 10256971 GWQZYHOTANWXSN-QGZVFWFLSA-N 439.512 2.248 0 40 IEAB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)NCc1ccc2c(c1)OCO2 12445115 AJPHQXCACQDWHF-UHFFFAOYSA-N 425.485 2.049 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccccc3)CC2)cc1 12549521 GFVGCBLWTSWOBI-UHFFFAOYSA-N 426.498 2.028 0 40 IEAB CC(=O)Nc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 12785782 MNSLFJYHSDNGIH-UHFFFAOYSA-N 433.486 2.113 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 14242929 XVVFFOGGHULMNM-ZBFHGGJFSA-N 432.498 2.435 0 40 IEAB COC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 16188210 BKFRDVZKDMAQFE-UHFFFAOYSA-N 426.878 2.394 0 40 IEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1n[nH]c(=O)n1Cc1ccccc1 16818547 WPDJJFVCWAUCNO-UHFFFAOYSA-N 426.498 2.142 0 40 IEAB CO[C@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19592624 KSKKQIUFWYGUNI-FUHIMQAGSA-N 442.560 2.323 0 40 IEAB NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 20008069 UFLVHKPTKQXCPM-HXUWFJFHSA-N 441.484 2.453 0 40 IEAB COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1OC 20016399 LNZXIGWLKPZYPF-LBPRGKRZSA-N 442.921 2.349 0 40 IEAB CCOC(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 20045797 YPGKMHVGRDWYPV-UHFFFAOYSA-N 432.498 2.278 0 40 IEAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 20614212 ODAHRNKQOKWNEU-IBGZPJMESA-N 425.485 2.160 0 40 IEAB Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 22655432 KDEGGLHCBPSFFW-UHFFFAOYSA-N 438.933 2.478 0 40 IEAB CCc1nc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)c2c(n1)c(C)nn2C 28559421 OUNVRQBUXVVZEL-UHFFFAOYSA-N 444.561 2.062 0 40 IEAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 28981998 YGNNRAHDCRMTAH-JCTQASJRSA-N 425.510 2.226 0 40 IEAB COc1cccc(CN(C)C(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1 32999577 KXKUHSQFCXCQFK-UHFFFAOYSA-N 428.485 2.214 0 40 IEAB Cc1[nH]c(=O)[nH]c(=O)c1CCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)o1 35597130 IMSXQLLWNHXPLU-UHFFFAOYSA-N 435.893 2.232 0 40 IEAB O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccc(=O)n(Cc2cccc(F)c2)n1 42379518 WIRQZQZOPNPNEE-UHFFFAOYSA-N 445.454 2.084 0 40 IEAB Cc1ccc(CN2C(=O)NC3(CCN(CC(=O)Nc4nc(C)cs4)CC3)C2=O)cc1 56932033 NBVDUYMTWNQAGY-UHFFFAOYSA-N 427.530 2.285 0 40 IEAB O=C(Cn1c(=O)n(-c2ccccc2)c(=O)c2sccc21)NCc1ccc2c(c1)OCO2 57489563 YWOYGXIUZLTUNP-UHFFFAOYSA-N 435.461 2.259 0 40 IEAB O=C(CSc1ncnc2nc(N3CCOCC3)sc12)NCc1ccc2c(c1)OCO2 57507081 WPJOIEOCHAWPGC-UHFFFAOYSA-N 445.526 2.060 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 58101424 BLDYYYNMHPYECF-QHCPKHFHSA-N 448.571 2.068 0 40 IEAB NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)CN3CCCCCC3)C2)c1 72346137 MJTZVCWNDQYDDH-IBGZPJMESA-N 436.560 2.407 0 40 IEAB COc1cccc(CC(=O)N2CCC3(CC2)[C@@H]2CN(Cc4cccnc4)C[C@@H]2C(=O)N3C)c1 96143577 HTFOQYKQVUERPM-XZOQPEGZSA-N 448.567 2.214 0 40 IEAB COc1ccccc1N(CC(=O)NCc1cccc(CN2CCCC2)c1)S(C)(=O)=O 224604186 HGCDBHKAIIUFDH-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB Cc1ccc(NC(=O)C(=O)NCC2CCN([C@H]3CCSC3)CC2)cc1N1CCCC1=O 225575932 XYKDMRDZPBJHFH-IBGZPJMESA-N 444.601 2.394 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)c3c(C(C)C)noc3C)C2)nc2c1CCN(C(C)=O)C2 257220519 DLCIYCVWTBZBHB-OAHLLOKOSA-N 426.521 2.472 0 40 IEAB NCCCOc1cccc(C(=O)NCC2(O)CCN(c3ccnc4ccncc34)CC2)c1 257331951 XVAKARPBHNCRTL-UHFFFAOYSA-N 435.528 2.119 0 40 IEAB COC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1 408619280 LLHUEJIDQAESJV-MRXNPFEDSA-N 436.530 2.359 0 40 IEAB Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 408654585 KJZSVXGEUMYQCH-AWEZNQCLSA-N 429.860 2.324 0 40 IEAB COc1cc(C(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc(OC)c1OC 409022446 ODJXICMSIDISHI-UHFFFAOYSA-N 441.484 2.302 0 40 IEAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Br)cc3Cl)C(=O)[C@H]12 409309002 ZYRZRZODHRHALK-VWPFQQQWSA-N 426.650 2.479 0 40 IEAB COCCCN(Cc1cc2ccccc2nc1O)c1c(O)nc(=O)n(CC(C)C)c1N 506099233 ORJVSFSLMCIKEW-UHFFFAOYSA-N 427.505 2.484 0 40 IEAB CN(C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1639108858 OMIWSMZTIQXEMZ-AWEZNQCLSA-N 431.942 2.363 0 40 IEAB COc1ccc(/C=c2\sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)cc1 2384216 VOOSPTOSAYMWNY-MFOYZWKCSA-N 425.466 2.400 0 40 IEAB O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3464864 BAKSJHALKBOLKK-UHFFFAOYSA-N 445.328 2.363 0 40 IEAB O=c1c(NS(=O)(=O)Cc2ccccc2)ccc2n1C[C@H]1C[C@@H]2CN(C2CCOCC2)C1 3841435 MPOHAHQEEMULQX-RBUKOAKNSA-N 443.569 2.388 0 40 IEAB biogenic,in-vitro C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1 9052992 ONZXUKUCRXXRMJ-PKOBYXMFSA-N 429.542 2.081 0 40 IEAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(I)c1O 9323694 LKRSMVMDOOMXCM-RUDMXATFSA-N 435.195 2.126 0 40 IEAB COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 9526006 BMPRZHXASKBYBD-HNNXBMFYSA-N 438.436 2.266 0 40 IEAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4cc(C)cc(C)c4)c(C)c(C)n23)n(C)c1=O 9829464 SUMYGOCTMIWWRQ-UHFFFAOYSA-N 437.500 2.325 0 40 IEAB O=C(Nc1ccc(F)cc1F)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031492 TYYKVADSTDCDOP-GFCCVEGCSA-N 433.429 2.317 0 40 IEAB CCc1ccccc1N(C(C)=O)c1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 12627617 ZBULEASFFWHVEH-UHFFFAOYSA-N 438.513 2.186 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CCCCC1 12902382 GYYUYEDCFBZUNK-UHFFFAOYSA-N 433.496 2.461 0 40 IEAB Nc1c(C(=O)CSc2nnc(NCc3ccc(F)cc3)s2)c(=O)[nH]c(=O)n1C1CC1 13121371 CSVXASVCHGIHMS-UHFFFAOYSA-N 448.505 2.031 0 40 IEAB C[C@@H]1CCCN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)C1 13649095 KSOUFONGQVJPCE-GFCCVEGCSA-N 436.315 2.316 0 40 IEAB COc1cc(/C=N/NC(=O)Cc2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCC#N 15513307 ROTPKBJYXFXLSQ-LSHDLFTRSA-N 425.470 2.205 0 40 IEAB Cc1nc([C@H]2CCN(S(=O)(=O)c3cnn(C)c3C)C2)ncc1C(=O)Nc1ccccc1 19766037 QIRSGJNJBMYRGI-INIZCTEOSA-N 440.529 2.257 0 40 IEAB CC(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O 20567654 ZJFYNNZOLAKHQD-PXDATVDWSA-N 432.524 2.407 0 40 IEAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 24887733 IFLUBXLIHUXQRZ-RHSMWYFYSA-N 438.956 2.185 0 40 IEAB O=C1OCCN1CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 24992486 XXRNETFJLDWRKF-UHFFFAOYSA-N 441.859 2.117 0 40 IEAB CN1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c2nc3ccccc3nc21 25091779 PVYWTOXMIJOPHE-UHFFFAOYSA-N 442.479 2.362 0 40 IEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 40040841 ZIXFQFAPYHPUTI-JKSUJKDBSA-N 449.529 2.084 0 40 IEAB CCOCCCNC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O 40267940 AFAAEAASBYVGBV-UHFFFAOYSA-N 433.468 2.283 0 40 IEAB O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)C1 69950896 AQUHYTGJKIJGKK-CABCVRRESA-N 449.349 2.280 0 40 IEAB O=C1N[C@]2(COc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)NCc1ccccn1 72334428 SYTHPPOVKFDPKW-NVQXNPDNSA-N 442.519 2.391 0 40 IEAB Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)cc1 72334970 RGQIVDWWBYSFSU-WBVHZDCISA-N 427.530 2.346 0 40 IEAB Cc1nn(CC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1Cl 72338863 YEIBONUJHMMNRH-IBGZPJMESA-N 437.953 2.122 0 40 IEAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cnc(N5CCCCC5)nc4)C[C@H]32)c(OC)n1 72392617 JNUOTOBZDFZBSN-GEQKSPFYSA-N 440.548 2.004 0 40 IEAB CC1CCC(N2CCc3nc(C4CCN(C(=O)c5ccn(C)n5)CC4)[nH]c(=O)c3C2)CC1 72398865 DCKBVRSTHTYOQD-UHFFFAOYSA-N 438.576 2.460 0 40 IEAB CC(C)CN1CC2(CCN(S(=O)(=O)C3CC3)CC2)COc2ccccc2S1(=O)=O 96037167 PXVISGIOTUYCAQ-UHFFFAOYSA-N 442.603 2.300 0 40 IEAB COc1cccc(N2C(=O)C[C@H](N3CCC(NC(=O)c4ccc(F)cc4)CC3)C2=O)c1 96299805 MMTKGAALSFWMMD-FQEVSTJZSA-N 425.460 2.361 0 40 IEAB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc2c(c1)OCO2 139112498 FFCCHRGUAWEAME-UONOGXRCSA-N 439.472 2.332 0 40 IEAB Cc1ccc(-c2noc(CNC(=O)[C@H]3CCN(S(C)(=O)=O)c4ccccc4O3)n2)cc1 222749883 ITACSJOEAMDRLU-GOSISDBHSA-N 442.497 2.279 0 40 IEAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)s1 223932976 IBDWWPULXRQMPY-UHFFFAOYSA-N 437.908 2.044 0 40 IEAB Cn1c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc(=O)n(C)c1=O 257229541 FYMAQQJPQWLHES-OAHLLOKOSA-N 442.903 2.336 0 40 IEAB CCc1ccc(CN2CC[C@@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)cc1 306127210 FRTTXFMGIRFPOR-HSZRJFAPSA-N 437.569 2.328 0 40 IEAB C[C@@H](NC(=O)c1cn2cccnc2n1)c1ccc(CNC(=O)c2cn3cccnc3n2)cc1 544305179 LRADPRWIMOCLIJ-OAHLLOKOSA-N 440.467 2.193 0 40 IEAB Cc1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)N(C)C)CC2)c(Cl)cc1Cl 575616595 SPKDMJMVZRFQPC-UHFFFAOYSA-N 444.406 2.099 0 40 IEAB COc1cccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)c1OC 951780 NJLHMMFSBDAMBF-IYOUNJFTSA-N 425.363 2.203 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 1361540 VKGDBFFQRBHKDW-UHFFFAOYSA-N 426.546 2.471 0 40 IEAB COCCCNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 2140680 IPVVLBNNLDKWIM-UHFFFAOYSA-N 426.922 2.350 0 40 IEAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(N5CCNCC5)ncnc4c23)CO1 2240077 LCIYSOHEYCEKOP-UHFFFAOYSA-N 440.573 2.337 0 40 IEAB Cc1c(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C 2662266 RDKBCRRISYYDST-UHFFFAOYSA-N 433.420 2.386 0 40 IEAB CC(C)N(C(=O)NC(=O)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)S(C)(=O)=O 3179413 SYOCASVNBGPZRN-OBGWFSINSA-N 447.557 2.356 0 40 IEAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(F)cc1 3234686 VBMZWXDCFRFWOG-UHFFFAOYSA-N 425.409 2.025 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)NCCC(=O)OC(C)C)CC2)c1C 8965936 PMAUVQJAUYUYIC-UHFFFAOYSA-N 439.578 2.278 0 40 IEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCc2nc(-c3ccccc3)no2)cc1 9129552 LFHDQXRXMKIEKC-QGZVFWFLSA-N 440.481 2.041 0 40 IEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)c1ccc3c(c1)CCCN3S(C)(=O)=O)C2=O 9218592 JKDPGWRGRCUQDS-SPLOXXLWSA-N 433.530 2.082 0 40 IEAB O=C(O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 9495777 IVCIIAPGMROSHF-UHFFFAOYSA-N 442.843 2.350 0 40 IEAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cc(C)cc(C)c2)CC1 9570134 YZTQNUAKXGITIU-UHFFFAOYSA-N 431.558 2.194 0 40 IEAB Cc1noc(C)c1C(=O)N(Cc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9592862 JUUUNHVKHQVOIM-UHFFFAOYSA-N 435.440 2.212 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C)NC(=O)c2ccco2)sc2c1CCC2 9883626 PCMYDAAQUGMSHF-NSHDSACASA-N 434.470 2.307 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2ncc(CO)n2Cc2ccc(C)cc2)CC1 10336218 JKEHLUUIYKHJON-UHFFFAOYSA-N 432.546 2.125 0 40 IEAB CCOC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nc1N 12517392 SZJNBMGXLRFARS-ZDUSSCGKSA-N 431.518 2.191 0 40 IEAB Cc1cc(C)cc(-c2nnc(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)o2)c1 12627498 NEGUQIMQJGSFNE-UHFFFAOYSA-N 426.502 2.283 0 40 IEAB COc1ccc(OCCN2CCN(C(=O)CCNC(=O)c3ccccc3C)CC2)cc1 12799548 KUXCCLDUXYCMPI-UHFFFAOYSA-N 425.529 2.347 0 40 IEAB CC(C)NC(=O)COC(=O)[C@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12 13147057 SIAUMCMMUBANPU-RDTXWAMCSA-N 441.347 2.408 0 40 IEAB COc1cccc(CCCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1 13668281 IPQBCKJCZAMDTN-UHFFFAOYSA-N 448.541 2.087 0 40 IEAB COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 13733480 BCSACSLBTHUEIJ-LLVKDONJSA-N 444.918 2.462 0 40 IEAB O=c1cnc2ccccc2n1CCS(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14123820 PRZGDADOPIIQAE-SFHVURJKSA-N 441.509 2.335 0 40 IEAB CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)cn1C)O[C@H](C)C2 14681443 SXGQLPTYIKBYLZ-CQSZACIVSA-N 449.529 2.020 0 40 IEAB COc1ccccc1NC(=O)c1cc2c(nc1N)CCN(C(=O)Cn1nc(C)cc1C)C2 19701090 RILHAFUGDLWXQD-UHFFFAOYSA-N 434.500 2.323 0 40 IEAB COc1ccc(CCNC(=O)CCC(=O)NC[C@H]2COc3ccccc3O2)cc1OC 20726008 VXZHYZJCNDJZMM-KRWDZBQOSA-N 428.485 2.099 0 40 IEAB CCOc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl 20768687 NXEZNBUTRBSVLD-UHFFFAOYSA-N 432.951 2.468 0 40 IEAB Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccc(F)c(F)c1 21713897 XSYHLHRFTIBBHZ-UHFFFAOYSA-N 443.385 2.001 0 40 IEAB COc1ccc(Cn2nnnc2[C@H](c2ccc(OC)c(OC)c2)N2CCN(C)CC2)cc1 22928295 FMUDZXWDQQNWFN-QFIPXVFZSA-N 438.532 2.084 0 40 IEAB CCOC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(OC(F)F)cc1 24985542 KBPJDXOJXDSGOS-CZUORRHYSA-N 444.456 2.379 0 40 IEAB COC(=O)c1ccc(Nc2nnc(SCc3ccc(OC)c(OC)c3)n(N)c2=O)cc1 28535937 YAIYNDMUCBXJCR-UHFFFAOYSA-N 443.485 2.192 0 40 IEAB O=C(Cn1cnc2ccc(Br)cc2c1=O)Nc1ccc(-n2ccnc2)nc1 32930069 WGFRQFYFZGWYEN-UHFFFAOYSA-N 425.246 2.378 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccc2c(c1)OC(F)(F)O2 35504024 KUKZSBUQQFVHBL-UHFFFAOYSA-N 445.469 2.015 0 40 IEAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCn1c(=O)oc2ccccc21 40059954 LFRHYCGQTBUUAF-UHFFFAOYSA-N 432.502 2.305 0 40 IEAB CC[C@H](C)N(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCS(=O)(=O)C1 57463344 UFGYTZPKBWXJIH-LPHOPBHVSA-N 427.998 2.276 0 40 IEAB COC[C@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1 67870909 RAKWTAFPSLOAQY-RAUXBKROSA-N 442.025 2.440 0 40 IEAB biogenic,in-vitro Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)CCCNS(=O)(=O)c1cccs1 72337465 NJGQTNJYOOKCIP-ZBFHGGJFSA-N 445.570 2.446 0 40 IEAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)CCOc1ccccc1)CC2 72345732 DTOJFWZUWMIOLL-QGZVFWFLSA-N 445.589 2.094 0 40 IEAB Cc1ccc(C)c(N2CCN(C(=O)C3CCN(S(=O)(=O)N4CCCC4)CC3)CC2)c1 90610290 MSVVANSOBIFSRT-UHFFFAOYSA-N 434.606 2.005 0 40 IEAB CN1C[C@@H](NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)C(=O)N1 95464860 ISXKLTCPOSCXLJ-OAQYLSRUSA-N 444.470 2.361 0 40 IEAB CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@H](C1=O)[C@@H]1C[C@H]2[C@H]2Sc3[nH]c(=O)sc3C(C)(C)[C@H]12 96889523 YMLJWSIWMJJMGD-JOIDKUIFSA-N 436.555 2.165 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@@H](C)c4n[nH]c(=O)c5ccccc45)C3)cc2n1 100137886 PZYUSXNNYIQRJN-GJZGRUSLSA-N 432.484 2.490 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC 103256231 QZNFBPRTFGRLIS-WHCJUDJGSA-N 429.517 2.412 0 40 IEAB CN(CCCNC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2)c1ccccc1 105694823 AJCDSRWLRVNKOI-VWLOTQADSA-N 449.555 2.193 0 40 IEAB Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 138549326 IPWWJNQMLCKZNW-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB CCN(Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccccc1 224447670 LVBPPPURXYOFMA-UHFFFAOYSA-N 429.542 2.235 0 40 IEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224783320 NJEJCSSFPPIMOC-UHFFFAOYSA-N 431.558 2.212 0 40 IEAB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)Nc1ccc(F)cc1 408650606 BWARYCWDSUQYOK-CYBMUJFWSA-N 433.823 2.154 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)n2nc(C)cc2C)cc1C(N)=O 575613404 GZEJMHZMHWUKFJ-KRWDZBQOSA-N 434.543 2.237 0 40 IEAB Cc1ncoc1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643557610 YNGJPXZVNZRSIY-QHCPKHFHSA-N 427.501 2.458 0 40 IEAB C[C@H]1COCCCCC2(CCN(C(=O)CCc3ccccc3)CC2)C(=O)N[C@@H](C)C(=O)N1 643564929 NVHLZVBZLKRNPZ-PMACEKPBSA-N 443.588 2.438 0 40 IEAB Cc1ccccc1C(F)(F)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1116412678 FHICRLSGZUXSAG-QGZVFWFLSA-N 431.487 2.499 0 40 IEAB O=C(Nc1ccc(Br)cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)N2CCCC2)C1 1169611693 OCXITMRTRYKRSU-LBPRGKRZSA-N 448.325 2.496 0 40 IEAB CCn1nc(C)c(S(=O)(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)c1C 1888914220 ZRLHKSNNCIMHRK-IAGOWNOFSA-N 428.562 2.163 0 40 IEAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1ccc2c(c1)OC(F)(F)O2 3330131 IQLORBCFKMJKRS-IBGZPJMESA-N 431.351 2.176 0 40 IEAB CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)OC(C)(C)C 5519445 PPOBHQUEJKYAOG-ZCNNSNEGSA-N 431.577 2.339 0 40 IEAB CC(C)CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(=O)NC(C)C)nnc12 9157709 FPJBDKOAGOKHMW-UHFFFAOYSA-N 430.534 2.417 0 40 IEAB COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(C)=O)c3)=C2)c1 9290141 BILLDIBIZYUMMO-UHFFFAOYSA-N 443.481 2.408 0 40 IEAB COc1cccc(/C=C(/C(=O)OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc2)c1 11200542 BVTNUJINRXMPOB-POEBIKTISA-N 443.521 2.472 0 40 IEAB Cc1ccc2c(c1)N(CCC(=O)N1CCC(O)(Cn3ccnc3C)CC1)C(=O)[C@@H](C)O2 12143541 TZQNDWBCPJGEDN-QGZVFWFLSA-N 426.517 2.058 0 40 IEAB CC(=O)N1CCC[C@@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 12162941 RKGBEDJZRZNOIE-CGYQNGNCSA-N 432.540 2.404 0 40 IEAB C[C@H](NC(=O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1ccc2c(c1)OCCO2 12689513 YIIMMPCXEGNCOG-AWEZNQCLSA-N 449.442 2.370 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2=O)cc1 13131247 NPWAUBUQFUOKFM-CYBMUJFWSA-N 441.509 2.179 0 40 IEAB COc1cc(/C=C2/SC(=O)N(C)C2=O)cc(I)c1OCC(=O)O 13881081 FVHKFOFDAQGORZ-BJMVGYQFSA-N 449.222 2.429 0 40 IEAB O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 15039569 APLCKYFDIZEXNN-UHFFFAOYSA-N 432.452 2.297 0 40 IEAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n(C)c1=O 15760649 SJAQBEGGABGERP-UHFFFAOYSA-N 429.480 2.424 0 40 IEAB C[C@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc(N(C)C)cc1 17123377 PPVYGDHXZRJBNB-HNNXBMFYSA-N 430.505 2.268 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3cn(C)c4ccccc34)CC2)cc1 19290377 DAQZERPTARIFSU-QFIPXVFZSA-N 429.542 2.227 0 40 IEAB C[C@@H](CCc1ccccc1)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 19455801 FSWHJMJUDXHUDM-XDHUDOTRSA-N 435.528 2.083 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)c(=O)c2c1C 19561422 HUWRGZZDAIKLPP-HOTGVXAUSA-N 446.617 2.406 0 40 IEAB CCN(CC)S(=O)(=O)N1CCC[C@H]1c1nc(C)ncc1C(=O)NCc1ccccc1 19767162 IHUFRLVGLKLSRC-IBGZPJMESA-N 431.562 2.439 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)cc1OC 22767102 CZHJUXGZKYJSHB-QGZVFWFLSA-N 425.576 2.032 0 40 IEAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23867043 AAMVZSYQDBCGEK-VQHVLOKHSA-N 431.496 2.413 0 40 IEAB COc1ccccc1OCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCO 25596614 VTZZLCUKDFRSRG-UHFFFAOYSA-N 443.525 2.075 0 40 IEAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cc1C 28210062 SENMPZHLSPRXDS-GOSISDBHSA-N 445.497 2.280 0 40 IEAB Cc1cccc(N2N=C(C(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)CCC2=O)c1 32901162 YVSLDKZNQCVYJY-UHFFFAOYSA-N 434.496 2.267 0 40 IEAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccccc1 35684378 ZJHNUXPPCWPSSL-UHFFFAOYSA-N 437.521 2.103 0 40 IEAB O=C1CCCN1C(=O)CN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 36389823 QCJPRGAVTICPBE-UHFFFAOYSA-N 433.574 2.190 0 40 IEAB CCOC(=O)CN(C(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 39476934 WROCYDNNSQBRBM-UHFFFAOYSA-N 438.436 2.093 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c1 89904910 XQOQCLSXIVOGDG-PSBQPLHCSA-N 439.511 2.037 0 40 IEAB O=C(Cn1cccc(-c2nc(-c3cnccn3)no2)c1=O)NCc1ccc(F)cc1Cl 90592114 RKFIZMCFTLXBMO-UHFFFAOYSA-N 440.822 2.464 0 40 IEAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(C(=O)c2cc(CC)nn2C)C3)c(OCC)n1 100152873 ZZDXWLURSWCQDE-HOTGVXAUSA-N 443.548 2.330 0 40 IEAB Cc1ccc(-c2noc(CNC(=O)CCCN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 219448856 ROOIYWKWOVGHAT-UHFFFAOYSA-N 440.481 2.286 0 40 IEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222888102 JDQCZDBBBWPCEK-IBGZPJMESA-N 445.585 2.275 0 40 IEAB C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 224579061 DTTAYUCXKXWYIX-KRWDZBQOSA-N 449.548 2.129 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2ccco2)cc1 244975094 IBDNYWWMIULSNZ-HXUWFJFHSA-N 446.506 2.209 0 40 IEAB Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)c4cccc(OCCCN)c4)C3)c2n1 257276035 NSCINTSHADNKGZ-VWLOTQADSA-N 449.555 2.379 0 40 IEAB Cc1[nH]ncc1CN1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCOCC2)C1 257283102 OWTLEINPDVCJDM-QFIPXVFZSA-N 448.951 2.270 0 40 IEAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)OCC)c(OC)c2)C1=O 409215419 YLZDGKUJJLZMJC-YBEGLDIGSA-N 436.486 2.200 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1 1775964048 PGHIKHZIQOEUIH-INIZCTEOSA-N 445.501 2.059 0 40 IEAB biogenic,in-vitro Cc1cc(C)n(-c2cc(OCC3CCN(S(=O)(=O)c4c(C)noc4C)CC3)ncn2)n1 1775973894 JMPAFYFQTMHONK-UHFFFAOYSA-N 446.533 2.364 0 40 IEAB Cc1cc(C)n(-c2cc(OCC3CCN(S(=O)(=O)c4cccnc4)CC3)ncn2)n1 1775974586 WKWZDGWSSVSIJQ-UHFFFAOYSA-N 428.518 2.154 0 40 IEAB Cn1cc(-c2cnc(OC3CCN(C(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)CC3)nc2)cn1 1889251455 NDAYBMTVFQJCNL-QGZVFWFLSA-N 446.511 2.300 0 40 IEAB COC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)c1 932331 MAHYRVSSRIAIPV-UHFFFAOYSA-N 429.458 2.197 0 40 IEAB Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1Cc1cccs1 9464220 CZJVRCHWCQUMSH-UHFFFAOYSA-N 445.932 2.498 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 9509018 JJIUEJZRUARCBJ-LJQANCHMSA-N 447.557 2.318 0 40 IEAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2ccccc2SC)CC1 9570185 HAXGCUWQMAROKW-UHFFFAOYSA-N 449.598 2.299 0 40 IEAB COC(=O)C1=C(CS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@H]1c1ccc(C)cc1 10273350 SIVKYQREDNPQNS-IBGZPJMESA-N 430.482 2.259 0 40 IEAB Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)N1CCCCCC1 11898745 OOGIYJNZHMGUOK-LJQANCHMSA-N 426.517 2.468 0 40 IEAB C[C@H](Cc1cccs1)NC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086638 GICJWAIJAMNLJC-MWTRTKDXSA-N 441.553 2.369 0 40 IEAB C[C@@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccc2c(c1)OCO2 12425210 OUBXGAXPRLSTQY-XIKOKIGWSA-N 428.466 2.466 0 40 IEAB CCCCOc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 12444741 XFIBCZXMXNQDLO-UHFFFAOYSA-N 446.573 2.142 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1OC 12555095 NMVAFANNAFJFHT-UHFFFAOYSA-N 443.525 2.342 0 40 IEAB O=C(CN1C(=O)COc2ccccc21)OCc1cc(=O)n2c3c(sc2n1)CCCC3 12681314 JLPXASLQHPDJOK-UHFFFAOYSA-N 425.466 2.104 0 40 IEAB O=C(NCCCc1ccccc1)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 12897244 ISMJPIZKTNKKRE-RHQSAMMMSA-N 432.476 2.451 0 40 IEAB Cc1cc(C)n2nc(SCC(=O)N(C3CCCCC3)[C@H]3CCS(=O)(=O)C3)nc2n1 13131199 STIMGXYYIVNHRX-INIZCTEOSA-N 437.591 2.182 0 40 IEAB CCOC(=O)N1CCN([C@@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)CC1 13133845 FYKHALZNZVSANL-NHCUHLMSSA-N 429.542 2.405 0 40 IEAB Cc1cc(C(=O)NCCNC(=O)Cn2nccc2C)c2c(C)nn(-c3ccccc3)c2n1 13960985 JHERFVJEBHRZOD-UHFFFAOYSA-N 431.500 2.088 0 40 IEAB Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c(C)c1 15935815 KYFGNPKDVCJFPU-WJOKGBTCSA-N 440.529 2.222 0 40 IEAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCN(C(=O)CN(C)C)C4)nc32)c1 19696208 CUXVYQMZZIXDEW-FQEVSTJZSA-N 435.572 2.493 0 40 IEAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(C(=O)CC1(NC(C)=O)CCCCC1)CC2 19710549 RTCYREBKTZNKQN-SFHVURJKSA-N 442.608 2.441 0 40 IEAB COc1c(C)cccc1C(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)c(N)n2)CC1 19765817 WFCFNRNQTGJBCG-UHFFFAOYSA-N 438.528 2.473 0 40 IEAB COCCNC(=O)COc1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 22232967 OXOYLGYRZWRGGH-UHFFFAOYSA-N 426.922 2.448 0 40 IEAB COCCn1c(C)cc(O)c([C@@H](c2cccnc2)N2CCN(c3ccccn3)CC2)c1=O 22697883 XUDSKEYMJOVHTB-HSZRJFAPSA-N 435.528 2.210 0 40 IEAB Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCN(C)CC2)cc1 22796627 ZVKZHQBIMWDLGZ-NRFANRHFSA-N 428.964 2.370 0 40 IEAB O=c1ccc(-c2ccccc2)nn1CCN1CCN(S(=O)(=O)c2ccccc2F)CC1 23141278 MBQCPVOFHMNEAN-UHFFFAOYSA-N 442.516 2.056 0 40 IEAB COCCNC(=O)c1nc(-c2cccs2)cc2c1nc(C)n2[C@H]1CCS(=O)(=O)C1 32616009 AJSDKAZVTUXBIU-ZDUSSCGKSA-N 434.543 2.204 0 40 IEAB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCC(N)=O)cc1 32622843 UHZRYBZUCVDNGX-NRFANRHFSA-N 435.480 2.154 0 40 IEAB COCCOC(=O)c1c(NC(=O)CNCc2ccc(Cl)cc2)sc(C(N)=O)c1C 58164041 FPCGBSTVGOFDDT-UHFFFAOYSA-N 439.921 2.340 0 40 IEAB O=C(COC(=O)c1ccc2c(c1)COC2)NCC(=O)Nc1ccccc1Br 64691993 GIKXZGJNHRFUEY-UHFFFAOYSA-N 433.258 2.391 0 40 IEAB CCS(=O)(=O)N1CCN(C(=O)c2sc3ccccc3c2[C@@H]2CCN(C(C)=O)C2)CC1 72352592 RAPKPLHEYWIABO-MRXNPFEDSA-N 449.598 2.345 0 40 IEAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 78597141 TVZQAYRNEAWXIC-GOSISDBHSA-N 439.537 2.388 0 40 IEAB COc1ccc(C(=O)NC[C@](C)(O)c2ccc(C)o2)cc1S(=O)(=O)NC1CCCC1 78941843 PQTCWDJSFVBPFC-NRFANRHFSA-N 436.530 2.455 0 40 IEAB COc1ccccc1N1CCN(Cc2coc(=O)c(CN3CCSCC3)c2O)CC1 79474329 KUBABEIBRFDUQQ-UHFFFAOYSA-N 431.558 2.225 0 40 IEAB COc1ccc(Cl)cc1NC(=O)CCCn1c(=O)[nH]c2cc3c(cc2c1=O)OCO3 90610278 NJFWDEFQOOBKTA-UHFFFAOYSA-N 431.832 2.499 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]32)cc1 101218084 SPWQDCZRSZDCJA-RBUKOAKNSA-N 435.440 2.104 0 40 IEAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCCN4C[C@H]4CCOC4)nn3c(O)c2C1 247756549 WQGFREUIWHJINP-QRWLVFNGSA-N 425.533 2.293 0 40 IEAB CNc1nc([C@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CN(C(C)=O)CC2 257269552 MQLQDNNWONEHEG-KRWDZBQOSA-N 443.573 2.218 0 40 IEAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3ccsc3)C[C@@H]2N1Cc1ccccn1 306130741 JOHGAYLQFUWRTM-ZWKOTPCHSA-N 428.539 2.374 0 40 IEAB CN(CC1(c2ccccc2)CCCC1)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O 585290923 HHCGRCLXARPDOZ-VWNXMTODSA-N 444.597 2.227 0 40 IEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 620672189 OOIXFOWTOVFVHY-CRAIPNDOSA-N 428.986 2.280 0 40 IEAB CS(=O)(=O)c1ccc(CCC(=O)NC2CN(c3cc(C(F)(F)F)ccn3)C2)cc1 1888866698 MFNDNSGBUAPWGN-UHFFFAOYSA-N 427.448 2.442 0 40 IEAB COc1ccc2nc(COC(=O)c3cc(OC)c(OC)c(OC)c3)c(C(C)=O)[n+]([O-])c2c1 2454273 BICDAHZNMVORBN-UHFFFAOYSA-N 442.424 2.462 0 40 IEAB CCOC(=O)c1sc(NC(=O)COC(=O)c2cnc(C)cn2)c(C(=O)OCC)c1C 3571141 AGYRALJKCYLAKK-UHFFFAOYSA-N 435.458 2.304 0 40 IEAB O=C1N[C@@H]2c3c(I)sc(I)c3C(=O)[C@@H]2O1 5847535 UWDMOILRXVLKCY-NQXXGFSBSA-N 446.991 2.303 0 40 IEAB COc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N3CCCCCC3)s2)cc1 8588200 GVODLXCOZMMLJZ-UHFFFAOYSA-N 426.520 2.129 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)O 8791119 HORMGZBYZMQGQC-XLSMTSSISA-N 447.557 2.155 0 40 IEAB biogenic COc1ccc(CCNC(=O)c2ccccc2NC(=O)COC(=O)C2=COCCO2)cc1 8825962 SDEQXUFLNQJBTD-UHFFFAOYSA-N 440.452 2.038 0 40 IEAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 8945464 PGCXXYSHDWDDJH-QWHCGFSZSA-N 432.860 2.435 0 40 IEAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 9263104 LZTJXRKCWMFCPZ-UHFFFAOYSA-N 443.460 2.344 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCOC 9449906 GNLWQRNJZRIEOV-CNPFDHCBSA-N 433.574 2.329 0 40 IEAB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccco1 9646928 SRZSUIVWINKDAO-UHFFFAOYSA-N 448.545 2.279 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)c1C 9818608 ZXHUCUYOTGUJTI-UHFFFAOYSA-N 427.413 2.188 0 40 IEAB O=C(COc1cccc2cccnc12)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 9996202 RNIIMMJOQAMDIO-UHFFFAOYSA-N 447.463 2.425 0 40 IEAB COc1cc(NC(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc(OC)c1OC 10594819 BFWNCFDELMENNV-UHFFFAOYSA-N 444.362 2.075 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 11656876 VBXGUZYEBWWNQI-CQSZACIVSA-N 425.441 2.416 0 40 IEAB COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1OC 14092692 YQMKQEFJISKLNJ-UHFFFAOYSA-N 448.419 2.197 0 40 IEAB COC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 15924925 DCXUZWVMEUBZRJ-UHFFFAOYSA-N 428.510 2.463 0 40 IEAB Cn1cc([C@H](O)CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c2ccccc21 19290375 ASOHYQMFEMFZPY-OAQYLSRUSA-N 435.496 2.496 0 40 IEAB COCCN1C[C@@H](c2cc(N(C)C)nc(C3CCN(C(=O)C4CCCC4)CC3)n2)CC1=O 19697505 NGMRKNLACGDANU-IBGZPJMESA-N 443.592 2.401 0 40 IEAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2=O)cc1OC 23056150 AOINJWWTYWOAQX-QWHCGFSZSA-N 425.441 2.415 0 40 IEAB Cc1c(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(=O)n(-c2ccccc2)n1C 23269093 BRNAFCYGNVKYCQ-UHFFFAOYSA-N 425.489 2.020 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1nnnn1CC(C)C 24755718 MDRWTMLHMNJVQY-ZDUSSCGKSA-N 426.568 2.007 0 40 IEAB C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)NC1CCN(Cc2ccccc2)CC1 27944158 QGPRDZZTAPXWPR-QFBILLFUSA-N 430.578 2.114 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nccn1C 32932873 LCASKSDMMDAZDQ-SFHVURJKSA-N 440.591 2.270 0 40 IEAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NC(c2ccccc2)c2ccccc2)c1 32947134 GJNSDZPRMBZIGH-UHFFFAOYSA-N 425.510 2.004 0 40 IEAB COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)N3C)cc1 35442472 UXWYYURZKMFVAK-FJIJXJHWSA-N 436.556 2.487 0 40 IEAB biogenic,in-vitro CN(C(=O)Cn1nc2n(Cc3ccco3)c(=O)c3sccc3n2c1=O)c1ccccc1 65305555 UYJDXTGRVFURNL-UHFFFAOYSA-N 435.465 2.177 0 40 IEAB Cc1c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(=O)oc2ccccc12 79021749 MOMGXMQEWBHYAS-UHFFFAOYSA-N 436.493 2.129 0 40 IEAB CCOC(=O)N1CCC(NC(=O)Cn2c(Nc3cccc(F)c3)nc(C)cc2=O)CC1 90610162 LWYMWQCBYXHXQT-UHFFFAOYSA-N 431.468 2.172 0 40 IEAB Cc1ccccc1C(=O)/C=c1\s/c(=C/c2ccccn2)c(=O)n1CC(=O)NC(C)(C)C 96920394 DSZYRKMSNUXACY-IDIAMYQHSA-N 435.549 2.020 0 40 IEAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)OCO2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102020866 IDUHILHDQLCMOQ-BBWFWOEESA-N 442.468 2.263 0 40 IEAB CCCCN1C(=O)[C@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 103088087 AEIZHXWFYSWLLE-KCOOYEKVSA-N 437.471 2.295 0 40 IEAB COc1ccc(OCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 105052998 IJRDEENCDXIZMS-KRWDZBQOSA-N 448.541 2.300 0 40 IEAB Cc1cccc(-c2noc(CNC(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)n2)c1 219244913 QZSAEZGJUYUYKN-UHFFFAOYSA-N 447.492 2.113 0 40 IEAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1 223098415 ABXQHPSHHTVVRB-HNNXBMFYSA-N 425.510 2.135 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)ccc1OC 223597400 RXAOWUQWGHMBSR-UHFFFAOYSA-N 436.877 2.237 0 40 IEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(OC)c3)n2)c(OC)c1 223763712 MEKANUSMUHDBRE-UHFFFAOYSA-N 435.458 2.250 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225421494 ZGTWBMHMKRKGGI-QGZVFWFLSA-N 449.548 2.372 0 40 IEAB Cc1nc(NC(=O)CN2CCC[C@](O)(COc3ccccc3)CC2)sc1C(=O)N(C)C 257270429 MUEMFYQDJNZALV-JOCHJYFZSA-N 446.573 2.388 0 40 IEAB CC[C@H](C)C(=O)N1CCC[C@@H]1c1cc2nc(C)c(CCC(=O)N3CCOCC3)c(O)n2n1 257304383 SLJFAQUBWIOJHZ-HNAYVOBHSA-N 443.548 2.244 0 40 IEAB COc1ccc(CN2CCO[C@@]3(CN(Cc4cnn(C)c4)C[C@@H]3c3cccnc3)C2=O)cc1 306125496 CSOACUNZUPNPRK-ILBGXUMGSA-N 447.539 2.221 0 40 IEAB CCc1ccc(C(=O)N2CC[C@H]3Cn4c(nn(Cc5ccccc5)c(=O)c4=O)[C@H]3C2)cc1 306142784 XJTLPELMSLJSFY-SFTDATJTSA-N 430.508 2.275 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)c(Cl)c1 408635645 GMQNLWAXVOWOTJ-UHFFFAOYSA-N 428.894 2.291 0 40 IEAB CCc1nocc1CN(C)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 549922440 MCXSLAORMYPFRV-UHFFFAOYSA-N 443.323 2.011 0 40 IEAB Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1=O 575616051 OOUOAOFJQOHBLZ-UHFFFAOYSA-N 442.822 2.419 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)c1 2087050525 DOTMUOSDMDCMAO-HOTGVXAUSA-N 444.557 2.048 0 40 IEAB COc1ccc2c(=O)n(CC3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)cnc2c1 2087096665 VFSWPSSGFDEUHD-UHFFFAOYSA-N 438.509 2.266 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2c3c(nn2-c2ccccc2)C[S@](=O)C3)cc1 6184136 DGDFNPCWGGFQHE-LJAQVGFWSA-N 444.538 2.137 0 40 IEAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1nnc(C)s1 9263953 GUTOWVFGTUCKAP-UHFFFAOYSA-N 431.547 2.427 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)Nc1cccc(C(C)=O)c1)c(=O)n2Cc1ccccc1 9466591 CLZKCPYQTZCJLL-UHFFFAOYSA-N 445.479 2.269 0 40 IEAB O=C(CSc1nc(-c2ccncc2)n[nH]1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9550101 JWHZLPIYUMJZPM-MRXNPFEDSA-N 429.527 2.179 0 40 IEAB COc1ccc(CCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 9569922 ARLMXVNRKVOLEO-UHFFFAOYSA-N 449.548 2.035 0 40 IEAB CC(C)(C)NC(=O)CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1 12470479 PYBWXGPBSNJFNG-UHFFFAOYSA-N 430.509 2.484 0 40 IEAB Cc1cc2ncc(C(=O)N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)c(C)n2n1 12949264 RQSVHWJVJJSVEG-UHFFFAOYSA-N 431.493 2.022 0 40 IEAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 12978423 QVIZRVKVZYDQNN-NRFANRHFSA-N 447.394 2.465 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCCCN3C[C@H](C)O[C@H](C)C3)cc2)C1 13009146 ROWHPCLATPIKIA-GBESFXJTSA-N 437.606 2.336 0 40 IEAB C[C@H]1CCCN(C(=O)[C@H](C)Sc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)C1 13018214 FMKYRFKANZSIRP-STQMWFEESA-N 433.578 2.064 0 40 IEAB COc1ccc(-c2nc(COC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)cs2)cc1 13112204 GIGVKIGRLITBCE-UHFFFAOYSA-N 431.495 2.360 0 40 IEAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N[C@H]4C=CS(=O)(=O)C4)ccc23)cc1 13609672 BCNWOGSIMNVNGU-HNNXBMFYSA-N 441.461 2.274 0 40 IEAB biogenic O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCC[C@@H](c4ccccc4)C3)CC2)Nc2ncccc21 19369935 YOKMECAYEQFNCB-KBMIEXCESA-N 447.539 2.352 0 40 IEAB CS(=O)(=O)c1cc(Cl)cnc1C1CCN(C(=O)CCCN2CCCC2=O)CC1 19573343 YIKDHLFUXBLWEL-UHFFFAOYSA-N 427.954 2.247 0 40 IEAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)[C@H]4CCCO4)nc32)c1 19698635 BJZRTCUWXAQHEQ-HXUWFJFHSA-N 438.528 2.453 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)nc2C)c1 19763510 KENJKNAMIDQILI-SFHVURJKSA-N 448.527 2.477 0 40 IEAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 20624064 QQRFORDONXVVOA-OAQYLSRUSA-N 427.570 2.432 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1 23219504 CONMAKXYCNAZGV-UHFFFAOYSA-N 432.454 2.187 0 40 IEAB O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCN(C[C@@H]2CCCO2)CC1 23864659 DQDMRDAVXHPLHL-SFHVURJKSA-N 449.598 2.163 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1CCCn1ccnc1 23989598 RRKBQFHMSJMNKB-UHFFFAOYSA-N 449.490 2.240 0 40 IEAB O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 25930719 XGMNEZIQRIOMQD-OAHLLOKOSA-N 446.935 2.454 0 40 IEAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1S(=O)(=O)NC1CC1 26993243 VGLTZDOQUNXYIR-UHFFFAOYSA-N 429.498 2.280 0 40 IEAB COc1cc(CNC(=O)C2=NN(c3ccccc3)C(=O)CN2)ccc1OCc1cccnc1 27173466 FUZAHKJWLNJXKD-UHFFFAOYSA-N 445.479 2.235 0 40 IEAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2CC(N)=O)c1 32741926 UVXQYEPGWYGPJH-UHFFFAOYSA-N 425.470 2.198 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2cccs2)cc1 32854672 JBJMPUBGDWULIG-GOSISDBHSA-N 449.598 2.497 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc(C)cc3)CC2)cc1 40162351 SEVCSNXCKYGWSV-UHFFFAOYSA-N 430.526 2.361 0 40 IEAB O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)NCc1cccc(F)c1 44889653 UXHOHPSWQWBBMM-UHFFFAOYSA-N 435.503 2.021 0 40 IEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN1CCN(c2ccccc2OC)CC1 57439195 RUVQBLYEFGXGNX-UHFFFAOYSA-N 442.535 2.121 0 40 IEAB COc1ccc(OC)c(C(=O)Cn2c(=O)n3nc(C)nc3c3cc(OC)c(OC)cc32)c1 62639812 VNLZVEXAULLODT-UHFFFAOYSA-N 438.440 2.270 0 40 IEAB O=C(Cn1cc(OCc2ccccc2)c(=O)cc1CO)N1CCN(Cc2ccccc2)CC1 71285237 BZHJYGHEMPMLCH-UHFFFAOYSA-N 447.535 2.264 0 40 IEAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(CN3CCC[C@@H](C(N)=O)C3)cc2)c1 72275473 HFZWIBPJTRSBHH-MRXNPFEDSA-N 449.504 2.110 0 40 IEAB CCN(C[C@H](C)C(=O)O)C(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 95970642 ACWDOXKDYCQFRM-MARXPDLDSA-N 426.535 2.354 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1 101671858 INTPYHLXHFYVGB-WXNNJLFXSA-N 445.468 2.073 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225192894 PPHUWFSDOFUTKG-HNNXBMFYSA-N 437.949 2.269 0 40 IEAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)CCCc3nc4ccccc4n3C)C2)ncn1 257303940 SJIYBNJDTQYIQU-DEOSSOPVSA-N 436.560 2.484 0 40 IEAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)c1ccc3c(c1)CCCN3C)CC2 257330774 XPYFRSMFTJCZGO-LJQANCHMSA-N 448.571 2.435 0 40 IEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCC[C@H](C)C1 260813039 OVQGIAGMOYQGLH-PXNSSMCTSA-N 425.595 2.478 0 40 IEAB Cn1cc(CN2CCC3(CC2)Cc2nc4c(c(=O)n2C3)CN(Cc2ccccc2)CC4)cn1 306135604 OVRALWHEEGJTMD-UHFFFAOYSA-N 444.583 2.374 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4cccc5c4OCCO5)CC3)n2)n1 1775969962 UPFZXVXITYTABJ-UHFFFAOYSA-N 435.484 2.294 0 40 IEAB COC(=O)CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1893088 SRFOGTCSVVBJSH-UHFFFAOYSA-N 449.554 2.274 0 40 IEAB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3315837 YCNANKGROVRZDE-UHFFFAOYSA-N 432.413 2.200 0 40 IEAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccnc2Cl)cc1OCC 8825593 XQQCVJABSMUYKZ-UHFFFAOYSA-N 435.864 2.444 0 40 IEAB COc1ccc(CCNC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 8880310 MJJIOFZVLKCUMW-NRFANRHFSA-N 438.480 2.218 0 40 IEAB COc1ccccc1N1C[C@@H](C(=O)Nc2nnc(SCC(=O)NC(C)C)s2)CC1=O 8906693 BQSGQAFPMCVZKQ-LBPRGKRZSA-N 449.558 2.155 0 40 IEAB CCc1ccccc1-n1c(SCC(=O)NCC(F)(F)F)nnc1N1CCOCC1 9127265 UAGXVFFPAOAKBA-UHFFFAOYSA-N 429.468 2.437 0 40 IEAB COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 9184014 BZCQCGCVUKGFIB-GOSISDBHSA-N 445.541 2.371 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C[C@H](C)O1 9509531 OYDROWPRTKTCBH-GJZGRUSLSA-N 432.498 2.143 0 40 IEAB Cn1nc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)ccc1=O 10325120 JTKVFKKECZCSTF-UHFFFAOYSA-N 438.509 2.484 0 40 IEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(COCC(F)(F)F)cc1 11484270 HTTVDSVMSWCTCR-UHFFFAOYSA-N 435.402 2.475 0 40 IEAB COC(=O)c1ccc(O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(OC)c1 12781552 UGPMEIXJFJLGCG-SNVBAGLBSA-N 440.374 2.421 0 40 IEAB O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@H](O)c2ccccc2)CC1 13130275 LQRUVCLHPDAMLT-SFHVURJKSA-N 425.348 2.489 0 40 IEAB COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F 13150816 UXTTVAGKCXLGAZ-OAQYLSRUSA-N 445.491 2.424 0 40 IEAB O=C(CCN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)N[C@@H]1CCS(=O)(=O)C1 13575606 ABOFIZSSZJKXTR-CKXDQPNJSA-N 428.919 2.070 0 40 IEAB COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1OC 17069043 ILKMDXXPEIVVPK-UHFFFAOYSA-N 439.559 2.290 0 40 IEAB C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)C[C@@H](C)O1 17325814 UKXVFRNFOXWZKH-RTBURBONSA-N 443.569 2.447 0 40 IEAB NS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 18111248 PTIYAUREZCWHIB-UHFFFAOYSA-N 427.979 2.326 0 40 IEAB O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339576 PZCPMCVPFFNECP-KRWDZBQOSA-N 435.553 2.343 0 40 IEAB CCCc1ncc(-c2ccncc2C)c([C@@H]2CCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)n1 19525670 NFVSXNSIPLPRFS-SFHVURJKSA-N 448.527 2.174 0 40 IEAB COCCNC(=O)CN1CC[C@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)C1 19738848 ZQTDMCVLEIWUAW-IBGZPJMESA-N 443.592 2.196 0 40 IEAB O=C(Nc1ncccn1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 21210934 BYMMLQPACOGRND-UHFFFAOYSA-N 441.488 2.379 0 40 IEAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(NC(C)=O)cc2)cc1C 28210064 SENMPZHLSPRXDS-SFHVURJKSA-N 445.497 2.280 0 40 IEAB COc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(-n2cccc2)cc1OC 32093307 RWKPRIUNVUYETE-UHFFFAOYSA-N 429.498 2.114 0 40 IEAB CS(=O)(=O)N1CCC(NC(=O)c2cc(Br)c(Br)s2)CC1 32771003 RBFHHWZEKDBEJZ-UHFFFAOYSA-N 446.186 2.427 0 40 IEAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCOCC3)c2c1 36358204 AISBDOYXQQYBGB-DOXZYTNZSA-N 427.457 2.231 0 40 IEAB COCCOC1CN(C(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)C1 72311640 XPHCFGDVGWEHIX-UHFFFAOYSA-N 439.361 2.415 0 40 IEAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 72389055 RBGAAODYYARLAY-BKMJKUGQSA-N 449.551 2.297 0 40 IEAB O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)NCc1cccs1 72396432 PBSYMBGUQMEXDG-UHFFFAOYSA-N 436.541 2.167 0 40 IEAB O=C(OCc1ccccc1)N1CCC[C@H]1CS(=O)(=O)Oc1cccc(-n2cnnn2)c1 84539394 JYFWHWQSOKHOIN-SFHVURJKSA-N 443.485 2.172 0 40 IEAB COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@@H]3CCCO3)C2=O)cc(OC)c1OC 96544309 GPUWSDYSFQVSGZ-XDUBLRSXSA-N 436.486 2.044 0 40 IEAB CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(O)nn3)C2=O)cc1OC 96593048 HNLNANDPZLXPIM-LFIBNONCSA-N 444.469 2.056 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 100776599 KPZYKZKTIXZRHP-NCOADZHNSA-N 441.569 2.438 0 40 IEAB O=C1C[C@H](Cc2ccc(C(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2)C(=O)N1 101329525 JMMBAVPOZMLXAQ-RDJZCZTQSA-N 425.872 2.081 0 40 IEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 103100797 XOTDPQVZEWJYPP-GASCZTMLSA-N 428.514 2.247 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Br 140931122 WXZRHOLQIJVHKA-GNTOHDJUSA-N 447.285 2.046 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)c(OC)c3)no2)c1 223613955 GBEKUYKWEFEEJJ-UHFFFAOYSA-N 447.469 2.361 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 225484210 VDYHFWKOJLTKGU-UHFFFAOYSA-N 430.935 2.350 0 40 IEAB COC(=O)[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2O1 226037662 CPRGLTJHDDDOSA-LJQANCHMSA-N 446.525 2.200 0 40 IEAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)C(=O)Nc1cccc(N2CCCC2=O)c1 238816734 BQGBKMMMUOBQAG-QFIPXVFZSA-N 439.493 2.459 0 40 IEAB CN1CCN(CC(C)(C)NC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 248212420 DUBGTBXOXDDQON-KHVVASAOSA-N 440.588 2.084 0 40 IEAB Cc1c(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C3CCCCC3)C2)cnn1C 257241699 HZERGQJERDGGPN-MRXNPFEDSA-N 448.593 2.425 0 40 IEAB Cc1cc(Nc2cccc(C3(C(=O)NCCO)CCN(C(=O)OC(C)(C)C)CC3)n2)[nH]n1 257292914 QNLKUWWFXLIDID-UHFFFAOYSA-N 444.536 2.234 0 40 IEAB Cc1nn(C)cc1C(=O)N1CCO[C@H](c2cc(CCOc3ccc(F)cc3)n(C)n2)C1 257305293 SPHXSQHJEJEBMS-NRFANRHFSA-N 427.480 2.436 0 40 IEAB Cc1nc(-c2cccnc2)nc(O)c1CC(=O)NCc1cccc(CN2CCN(C)CC2)c1 1115971479 ZCMMBFQGQRCAQL-UHFFFAOYSA-N 446.555 2.159 0 40 IEAB CC(=O)Nc1ccc(CNC(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)cn1 1128452182 LPBXBCXFLSOEKC-CYBMUJFWSA-N 428.493 2.306 0 40 IEAB C[C@]1(CCCC(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)NC(=O)NC1=O 1137367578 OKVASDNRAXOARB-WMZHIEFXSA-N 425.485 2.184 0 40 IEAB CCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc2c1=O 2617636 REHXEDOWSUQLCB-UHFFFAOYSA-N 426.498 2.453 0 40 IEAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 3289267 MVXDJIGCCNOBBX-LSDHHAIUSA-N 434.514 2.495 0 40 IEAB O=C(C[C@@H]1CS(=O)(=O)C[C@H]1CC(=O)NCCc1ccccc1)NCCc1ccccc1 6148540 UQVDCLFBCGJMAZ-FGZHOGPDSA-N 442.581 2.145 0 40 IEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 9283271 LNHCWDFINBGIRS-UHFFFAOYSA-N 446.463 2.263 0 40 IEAB O=C(CSc1nncs1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9376284 YXMIAXMQIUXIMY-UHFFFAOYSA-N 425.495 2.157 0 40 IEAB Cc1ccc(-c2csc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)n2)cc1 9493787 PPHORACWLSPLKA-CQSZACIVSA-N 432.527 2.223 0 40 IEAB O=C(CSc1ncnc2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9581162 TWPADNJSHOXMSD-UHFFFAOYSA-N 444.538 2.382 0 40 IEAB C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9641058 MGZCDWQBPRHIJR-ZDUSSCGKSA-N 431.543 2.173 0 40 IEAB CC[C@@H](NC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1)c1ccc(C)cc1 9671909 YMMCMUIQQGDVEJ-HXUWFJFHSA-N 431.558 2.274 0 40 IEAB CC(=O)N1C[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)Oc2ccccc21 9765243 SJYRUKYHEFQFCG-HXUWFJFHSA-N 429.498 2.224 0 40 IEAB COCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)o1 9882175 GCPKWJSQBXDFOF-UHFFFAOYSA-N 449.348 2.397 0 40 IEAB CN(C)CCCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 11613402 NQKRSIGPXZYEMH-OAHLLOKOSA-N 446.964 2.340 0 40 IEAB COC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)c(=O)[nH]2)cc1 12348273 NRRCEKWMMWXQIK-UHFFFAOYSA-N 440.481 2.282 0 40 IEAB O=C(NCCn1nc(-c2ccc(F)cc2)cc1-c1cccnc1)[C@@H]1CCS(=O)(=O)C1 19340472 NGVWJZOBGRQYAG-QGZVFWFLSA-N 428.489 2.302 0 40 IEAB CNC(=O)c1ccc(-c2ccc([C@H]3CN(C(=O)c4ccnc(NC)c4)CCO3)nc2)cn1 19693833 SCYKQPDNSUIMKI-HXUWFJFHSA-N 432.484 2.154 0 40 IEAB Cn1c(=O)n(C)c2cc(CN3CCO[C@]4(CC=CCN(Cc5ccccc5)C4=O)C3)ccc21 19704390 RHBZEWHZBMTGEO-AREMUKBSSA-N 446.551 2.437 0 40 IEAB C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)CN1CSCC1=O)c1ccccc1 21372133 DRIHEZCRJDOTRY-HNNXBMFYSA-N 441.509 2.192 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 25165669 OGNQLYXPGQEJNZ-UHFFFAOYSA-N 445.541 2.102 0 40 IEAB CC1CCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 28069195 DJCZBMWOVYOFND-SFHVURJKSA-N 425.570 2.465 0 40 IEAB CCOc1cccc(CNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 30751228 YAICRZUTLMCGFU-HNNXBMFYSA-N 434.514 2.327 0 40 IEAB O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cc1 36390782 PXYYSEBRZIMAQC-RBUKOAKNSA-N 427.501 2.499 0 40 IEAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 36569500 WAYPQJPVLILPNY-QRWLVFNGSA-N 429.904 2.333 0 40 IEAB O=C(CSc1ccc(Br)cc1)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 39558608 SFYJYBSCWFCUFM-UHFFFAOYSA-N 435.303 2.466 0 40 IEAB COc1ccccc1-c1c2c(=O)n(CCCN3CCN(C)CC3)ccc2nc2nc(C)nn12 40398461 WRZPTKXDOMIOHW-UHFFFAOYSA-N 447.543 2.061 0 40 IEAB CN1CCC(Oc2ccc(CNC(=O)CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 96234481 MSPLIWFHDWCAMF-UHFFFAOYSA-N 431.558 2.242 0 40 IEAB COc1cccc(-c2nc3c(=N)n(-c4cccc(C(F)(F)F)c4)c(=O)[nH]c3c(=O)[nH]2)c1O 100943920 DJJVCDNIUCMPJB-UHFFFAOYSA-N 445.357 2.282 0 40 IEAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(Br)c1 102176931 GIFDSKVGYUTHNM-STQMWFEESA-N 437.290 2.414 0 40 IEAB C[C@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1cccc(F)c1)S(C)(=O)=O 220475644 OAQDHLUBSTZSSW-CYBMUJFWSA-N 443.522 2.015 0 40 IEAB COc1ccc(CCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1OC 223144209 SDYBHJBECGTCES-UHFFFAOYSA-N 440.949 2.478 0 40 IEAB CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)s1 225786090 APXSUXQDRNSWNX-UHFFFAOYSA-N 447.995 2.102 0 40 IEAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc(OCCN2CCCC2)cc1 257320210 VVUAYNORCODSMQ-DEOSSOPVSA-N 439.560 2.055 0 40 IEAB Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)N1CCN(Cc2ccccc2)CC1 408529632 ISMVMGKYHPZKFT-UHFFFAOYSA-N 445.585 2.405 0 40 IEAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 408658318 QWQYRSRZTPJOFM-INIZCTEOSA-N 440.452 2.407 0 40 IEAB O=C(NCC1(c2cccc(Cl)c2)CC1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508434344 XLTIKQWQROBLJC-GOSISDBHSA-N 441.981 2.208 0 40 IEAB C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N[C@@H](CO)c3ccc(Cl)cc3)cn2)C[C@@H](C)O1 552852521 FKOFYESBIZCYAS-LBTNJELSSA-N 435.912 2.027 0 40 IEAB C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 580593233 HRLXZVFPUSVWER-RUZDIDTESA-N 431.492 2.370 0 40 IEAB CN(C)CCC(=O)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575628 TXNBGOQFJGJRAT-UHFFFAOYSA-N 431.577 2.244 0 40 IEAB Cc1ccc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)n1 1888890827 UXGVGZQRERDOBH-UHFFFAOYSA-N 438.532 2.210 0 40 IEAB Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 931286 JEYVEVFSZZMFTM-UHFFFAOYSA-N 449.602 2.418 0 40 IEAB COC(=O)c1c(C(=O)OC)c(-c2ccc(Br)cc2)n2c1CS(=O)(=O)C2 1383391 KVJSCKPIVDENQP-UHFFFAOYSA-N 428.260 2.377 0 40 IEAB O=C(CCc1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9216903 JWBVCMGBZNBBLO-FQEVSTJZSA-N 448.479 2.180 0 40 IEAB COCCNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C(C)=O)cc1 9316897 URGVQDVFWHDFCX-UHFFFAOYSA-N 438.933 2.496 0 40 IEAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCCO2 9391123 GOBVUFAMIYOOSA-FPYGCLRLSA-N 430.482 2.131 0 40 IEAB Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 9488016 IVFLYKSMIKHCIY-HNNXBMFYSA-N 444.509 2.183 0 40 IEAB Cc1ccc2c(COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)cc(=O)oc2c1 9632647 OUKVJQLMSWOJJQ-UHFFFAOYSA-N 443.477 2.479 0 40 IEAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)NCCN1C(=O)CSC1=O 9635109 PEBSGXRLMZXYDR-UHFFFAOYSA-N 426.665 2.010 0 40 IEAB Cc1ccccc1CNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 9747219 BAIZBMGYRPMCGW-SFHVURJKSA-N 449.598 2.422 0 40 IEAB O=C(NCc1ccccc1Cn1cccn1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 10542927 KGACHLWGWLOGIM-LJQANCHMSA-N 432.480 2.372 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1)C2=O 10648199 LXCULPDCVLHUAY-UHFFFAOYSA-N 427.379 2.394 0 40 IEAB Cc1c([C@@H]2C[C@H](C(=O)Nc3cc(Cl)ccc3Cl)N(C)S(=O)(=O)N2)cnn1C 12130846 XFCVRXLXCNAGPB-DZGCQCFKSA-N 432.333 2.254 0 40 IEAB CCCc1cc(C(=O)N2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)no1 12133344 OPMVAXWBGDYXSC-UHFFFAOYSA-N 447.561 2.441 0 40 IEAB C[C@H](C(=O)N1CCC(c2ncccc2S(C)(=O)=O)CC1)n1ncc2ccccc2c1=O 12144065 JYNKWASBRYUQKT-OAHLLOKOSA-N 440.525 2.162 0 40 IEAB Cn1cnc2c1c(=O)n(CCCSc1nnc(Nc3cccc(F)c3)s1)c(=O)n2C 12525756 HFDGFROFDSPAGB-UHFFFAOYSA-N 447.521 2.350 0 40 IEAB COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1NC(C)=O 12765570 ACSFEVUIBPJNAS-ZDUSSCGKSA-N 440.543 2.439 0 40 IEAB CCCN(C(=O)/C=C/c1ccc2c(c1)OCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12786241 JRQIKXOGXIELMC-PKNBQFBNSA-N 448.479 2.352 0 40 IEAB C[C@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(=O)N1CCNC1=O 13121090 NGYMLQWGMBQPKF-LBPRGKRZSA-N 438.531 2.035 0 40 IEAB CSC[C@H](CNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)O 13403515 IZSJZIUMRYUOGO-UWNXQOIWSA-N 442.493 2.366 0 40 IEAB O=C1[C@H]2C3C=CC([C@H]2C(=O)N1Cc1ccccc1)[C@H]1C(=O)N(Cc2ccccc2)C(=O)[C@H]31 13540108 WGRLPZUHNOHHBF-LXIAHWLOSA-N 426.472 2.405 0 40 IEAB O=C1NCCN(C(=O)c2ccccc2Cl)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14607222 ZUBZEXUXQKDQKF-FQEVSTJZSA-N 440.931 2.020 0 40 IEAB Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)nc(C(C)C)n1 15357416 PWGOBLBDJIIDDO-UHFFFAOYSA-N 429.546 2.304 0 40 IEAB COc1ccc(OCCNC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1 15858622 NLWJRNVAHAZHQG-UHFFFAOYSA-N 432.498 2.207 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(CN3CCCCC3)cc2)c1=O 16102941 MHNBTQMAVCVBSG-UHFFFAOYSA-N 434.540 2.485 0 40 IEAB CCN(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(F)cc1 16678361 LIAFWSPOVZNAHY-UHFFFAOYSA-N 435.521 2.194 0 40 IEAB O=C(COc1ccccc1)NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O 16987265 ZSLCPPQNEBPRIJ-UHFFFAOYSA-N 447.491 2.078 0 40 IEAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 17191044 WPJULWVJKVBODD-LJQANCHMSA-N 430.457 2.366 0 40 IEAB CCOCc1cc(CN2CCc3nc(N4CCOCC4)nc(O)c3CC2)ccc1OC 19531185 ICWPOCVEVSKHER-UHFFFAOYSA-N 428.533 2.165 0 40 IEAB O=C(Cn1cccc(C(=O)N2CCCC[C@H]2CN2CCCC2)c1=O)NCc1ccccc1 19745676 IBQNUHNNLDYFCH-NRFANRHFSA-N 436.556 2.255 0 40 IEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 19932445 WBZQDEWPIIWSFM-UHFFFAOYSA-N 441.531 2.141 0 40 IEAB Cc1ccc(C)c(N(CC(=O)NCCCN2CCc3ccccc32)S(=O)(=O)N(C)C)c1 20244335 DEYUFTSADVSYTM-UHFFFAOYSA-N 444.601 2.485 0 40 IEAB COc1ccccc1N(CC(=O)NCc1ccccc1-n1ccnc1C)S(C)(=O)=O 20460727 GOKRPZUXVSDHTI-UHFFFAOYSA-N 428.514 2.272 0 40 IEAB CCOc1ccc(CCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22372678 QVNGFJWBOVZRCJ-UHFFFAOYSA-N 448.541 2.372 0 40 IEAB CCOc1ccccc1-n1ccn(CC(=O)Nc2cc(OC)cc(OC)c2)c(=O)c1=O 22726187 DBDROTRNRPEJOW-UHFFFAOYSA-N 425.441 2.054 0 40 IEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22803298 YASBCVMOPPONCX-QGZVFWFLSA-N 436.512 2.297 0 40 IEAB C[C@H](OC(=O)c1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 23075027 SMCNLQNMWBXJFU-AWEZNQCLSA-N 436.461 2.031 0 40 IEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N(CC)Cc1ccccc1)C2=O 23653218 QAUUOHWDQDPGSZ-UHFFFAOYSA-N 429.517 2.469 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3ccccn3)c12 25705794 CLEZATYOOMPQDX-MRXNPFEDSA-N 425.514 2.302 0 40 IEAB Cc1c(C(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cnn1-c1ccc(O)nn1 27091404 DDQLAXRBWHFYDJ-AWEZNQCLSA-N 432.444 2.325 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(OC)c(OC)c3)C2)cc1 30750772 YIIZFUWJZDJBMS-QGZVFWFLSA-N 448.541 2.430 0 40 IEAB CC(C)N(C(=O)Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2)c1ccccc1 32615380 QROIBULOHPXJDS-UHFFFAOYSA-N 429.480 2.395 0 40 IEAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCN(CC(=O)N(C)C)CC3)cc12 35392615 PVZCAHHJZQFGAF-UHFFFAOYSA-N 443.548 2.440 0 40 IEAB CCc1ncncc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 40140544 FLKPQWZZGOFCDW-UHFFFAOYSA-N 429.329 2.493 0 40 IEAB CN1CCN(CCCNC(=O)Nc2ccc(N3CCOCC3)nc2)[C@@H](c2ccccc2)C1 61382362 RQTXQHLACHIEJV-JOCHJYFZSA-N 438.576 2.419 0 40 IEAB COc1ccc2cnn(CC(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1OC 61718503 IJEPVSRVWHCPMI-UHFFFAOYSA-N 436.512 2.195 0 40 IEAB COC(=O)CCCCCNC(=O)Cc1ccc(CC(=O)NCCCCCC(=O)OC)cc1 67319286 UJLXIEUOBHZNSR-UHFFFAOYSA-N 448.560 2.471 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)Cc4nonc4C)C3)c2)cn1 72353668 QMHZFCUPJSFWSN-KRWDZBQOSA-N 434.500 2.452 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 95995991 GYGCGVYJJXPUMQ-RBUKOAKNSA-N 425.595 2.385 0 40 IEAB COC(=O)[C@@H](O)CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 96011337 LWLHKKPZASSXFW-INIZCTEOSA-N 428.514 2.136 0 40 IEAB CCNC(=O)Cn1c(=O)/c(=C/c2ccccc2Cl)s/c1=C\C(=O)c1ccccc1C 96920398 SJWJUTIXIKIGHG-FFOWACNVSA-N 440.952 2.500 0 40 IEAB COc1cccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5c(OC)cccc5[C@H]4[C@@H]3C2=O)c1 101413179 UNZYQERRJYJOOV-MPGHIAIKSA-N 438.461 2.182 0 40 IEAB CS(=O)(=O)NC[C@H]1CCCCN1CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 105720065 WGSSOLHVUMHORA-YLJYHZDGSA-N 439.578 2.497 0 40 IEAB CC(C)OC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2C(C)(C)[C@H]31 107440623 ZGAHQIAOQBOTOK-RJWUENCLSA-N 436.555 2.007 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1OC 223626613 IUWCRWAMWCUYCB-INIZCTEOSA-N 436.530 2.216 0 40 IEAB COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c1 223656616 ZUOGBTWCCJHQKS-UHFFFAOYSA-N 442.921 2.318 0 40 IEAB O=C(/C=C/c1ccc(F)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224429619 NQKVYYKTPDVJNU-XCVCLJGOSA-N 434.489 2.055 0 40 IEAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 225472515 YHVWZZVCOIMSJV-QGZVFWFLSA-N 431.558 2.419 0 40 IEAB Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)C(C)C)s3)n2)cc1 225638689 SKRKZGHKHRDKEZ-UHFFFAOYSA-N 436.519 2.312 0 40 IEAB COc1ccc(CCN2CC(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 230086483 YVJDCEFVMSNCDZ-UXHICEINSA-N 434.945 2.406 0 40 IEAB Cc1cccc(NC(=O)CCCC(=O)N2[C@H](C(N)=O)C[C@@H](N(C)C)[C@@H]2c2ccccc2)n1 257217444 CYYVJIHCUTWDSR-MSYCTHLASA-N 437.544 2.257 0 40 IEAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@H]1C2 306141621 WCEGGZIDLLWJSN-MOPGFXCFSA-N 431.496 2.241 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)NCCCn1ccnc1 408596086 SVENQLYJWDWYRX-UHFFFAOYSA-N 440.953 2.296 0 40 IEAB COc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408663714 QHTBNJFMSPJPEF-NHQIJDEQSA-N 426.469 2.009 0 40 IEAB COCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 409387803 BOOUDQGIMCWYBX-UHFFFAOYSA-N 440.949 2.345 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)c5cccc(F)c5)C[C@H]4C3)ncn2)n1 2086896653 ITKIJFSDRYXBKR-CALCHBBNSA-N 442.520 2.175 0 40 IEAB O=C(Cn1nnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2646729 PERPBMDZSXPTKU-UHFFFAOYSA-N 433.390 2.286 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c1 3231882 FBEZYRJVRXPBFZ-UHFFFAOYSA-N 439.376 2.162 0 40 IEAB CCCCn1nc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c2ccccc2c1=O 3456024 QKWIZIQOBWRLGW-UHFFFAOYSA-N 428.470 2.153 0 40 IEAB C=CCNC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc5c(c4)OCO5)cc3C(=O)N2C1 8299381 OWNZMTXZVYIDRS-YJBOKZPZSA-N 434.452 2.103 0 40 IEAB biogenic,in-vitro COc1ccc(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c(OC)c1 8468798 AVBLVWXHCQDEDT-UHFFFAOYSA-N 447.495 2.308 0 40 IEAB CNC(=O)NC(=O)[C@@H](OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O)c1ccccc1 9882610 LUXCAFCRXHFMGQ-MSOLQXFVSA-N 437.452 2.047 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 10097614 NYYOGRFQHWZNTA-UHFFFAOYSA-N 443.529 2.073 0 40 IEAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 12229989 NQMNWRGRNPRODK-SFHVURJKSA-N 427.530 2.036 0 40 IEAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 12743228 YXTHWVUAOAZFRJ-UHFFFAOYSA-N 430.342 2.464 0 40 IEAB CCCn1c(=O)n(CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c2ccccc21 12809861 IOVWNGLTAKEXNS-UHFFFAOYSA-N 430.530 2.492 0 40 IEAB CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCC(C(N)=O)CC1 12856157 WSYYKMCLDGSWQI-UHFFFAOYSA-N 435.480 2.219 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 12871083 GZXXJQJYNGENQH-ZDUSSCGKSA-N 434.514 2.353 0 40 IEAB CS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 12921748 PQHLMYJQJWDHKC-UHFFFAOYSA-N 432.527 2.160 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)C[C@@H](C)O1 13040868 BUCMBUNPXXONCY-BRWVUGGUSA-N 449.573 2.214 0 40 IEAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCCN2C(=O)c3ccccc3C2=O)c1 14021954 MYMDTJWIEDLZQM-UHFFFAOYSA-N 437.481 2.211 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1NC(C)=O 15359008 ISDBZBNYUMBDNL-LBPRGKRZSA-N 426.516 2.097 0 40 IEAB CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)c3cc(C4CC4)on3)n2)CC1=O 19697422 AFJRPFAYSRNXKH-OAHLLOKOSA-N 426.521 2.405 0 40 IEAB CC1(C)Cc2sc3c(=O)n(-c4ccccc4)c(=O)n(CCN4CCOCC4)c3c2CO1 20590526 CEUWKUUSDYIPKQ-UHFFFAOYSA-N 441.553 2.397 0 40 IEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24660963 ZGDKIADYCFTGDQ-JKSUJKDBSA-N 436.555 2.447 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)Oc2ccccc21 26112585 QNOABHBBXFOQCK-FQEVSTJZSA-N 433.505 2.092 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)cc1OC 38488269 TUNCXZPKWOYODQ-FNORWQNLSA-N 434.500 2.350 0 40 IEAB Cc1cc(C(=O)Nc2ccc(F)c(N3CCS(=O)(=O)CC3)c2)c2c(C)nn(C)c2n1 40151771 TYURNZIXOMPGAJ-UHFFFAOYSA-N 431.493 2.211 0 40 IEAB Cn1cccc(C(=O)N2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)c1=O 43959923 SZBXICRTLOHMSR-UHFFFAOYSA-N 439.537 2.369 0 40 IEAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 72324250 KOQMCDROFBSNAV-KRWDZBQOSA-N 431.496 2.264 0 40 IEAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 223399434 IZJIYGUWQZLYMN-IBGZPJMESA-N 437.949 2.047 0 40 IEAB COc1ccc(OCCNC(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)cc1 224695209 KJXHDVIDGDVZJZ-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 245230175 MTXGZVVJWPJPOQ-PHGOAHNDSA-N 443.588 2.443 0 40 IEAB CCC[C@]1(C(=O)OCC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 245230359 PWHHLLSJOAWOAM-OVCNXMPXSA-N 448.516 2.080 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 245230726 XPWQOLVPEJXEGD-LJTNYMJHSA-N 429.561 2.053 0 40 IEAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1[C@@H]3Sc2[nH]c(=O)sc2C12CCCCC2 247430302 ULJQFMBPPQGCOO-ZWJDHDBDSA-N 434.539 2.064 0 40 IEAB CCS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)[C@@H]3[C@H]4CCCC[C@H]43)nc2C1 253490346 IHSMGNKKHVHFFU-QGWWYQLQSA-N 448.589 2.380 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@H]3COc4ccccc4O3)C2)cc1 260890307 BUGXSIFFBHIWLI-MSOLQXFVSA-N 430.526 2.352 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)NCCCn1ccnc1 408591636 JUBKKVGXLSLKDM-UHFFFAOYSA-N 440.525 2.220 0 40 IEAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1 408660792 VIBQTKAYVWRWTO-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB CC(=O)N1CCCN(C)CCN(C(=O)c2noc(C)c2CN(C)C)Cc2ccccc21 643553588 AITWCSRPOZSVJC-UHFFFAOYSA-N 427.549 2.375 0 40 IEAB Cc1cc(S(=O)(=O)N2C[C@H]3CCN(CC(=O)N(C)C)CC[C@H]3C2)c(C)cc1Cl 2056223893 GKWXABLDERERKI-CALCHBBNSA-N 427.998 2.378 0 40 IEAB O=C(Nc1ccn([C@@H]2C[C@@H](O)[C@H](COC(=O)c3ccccc3)O2)c(=O)n1)c1ccccc1 1087323 ADBLMNPUSHTBKL-HBFSDRIKSA-N 435.436 2.001 0 40 IEAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1=O 2654852 MNYJGDSGROLWHN-INIZCTEOSA-N 443.525 2.471 0 40 IEAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccc(F)cc2)CC1 9218655 GFONDSWULVXUHW-HXUWFJFHSA-N 444.532 2.238 0 40 IEAB CC(C)Oc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 9570203 HTEBVRCZXUCERC-UHFFFAOYSA-N 431.558 2.356 0 40 IEAB C[C@H]1CN(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)C[C@H](C)O1 9631274 YKNWSMNHFHNBNO-BQFCYCMXSA-N 430.526 2.268 0 40 IEAB O=C(NCCOc1ccc(-c2ccco2)nn1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9853234 YAJNFFBAMXHZRD-UHFFFAOYSA-N 442.497 2.330 0 40 IEAB O=C(CSc1nnc(NC[C@H]2CCCO2)s1)N1CCN(c2ccc(O)cc2)CC1 9910438 PJEHLNYJPYEOIV-MRXNPFEDSA-N 435.575 2.276 0 40 IEAB COc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC 11154404 KJMWEWCXIRFWCS-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB O=C(c1cn2ccc(Cl)cc2n1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 11866162 BHIHUOBEXZBRHV-SFHVURJKSA-N 426.860 2.112 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 12794416 WAZZNDWTJYBINL-UHFFFAOYSA-N 428.514 2.374 0 40 IEAB COc1ccccc1CCN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 13371954 VGMAJFALTGRMQL-HKUYNNGSSA-N 443.974 2.120 0 40 IEAB NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)cc1 14138997 YEXOLQUALCRKTN-UHFFFAOYSA-N 447.582 2.263 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 15132808 GVLCLSFOBOFPNQ-OAHLLOKOSA-N 434.514 2.216 0 40 IEAB COc1cc(NC(=O)CCCCCCC(=O)Nc2cc(OC)nc(OC)n2)nc(OC)n1 15188345 TVLOWYNXUBKHID-UHFFFAOYSA-N 448.480 2.219 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2ccc(NC(C)=O)cc2)NC(=O)N[C@H]1c1ccco1 18189204 XQTYOJIDSOJLIW-SFHVURJKSA-N 427.413 2.266 0 40 IEAB COc1cc2c(cc(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)n2C)c(OC)c1OC 19287892 LHTGSYZNDPUPAY-UHFFFAOYSA-N 442.516 2.376 0 40 IEAB Cc1nc(C)n(CC(=O)N2CCO[C@H](c3c(C(=O)NC(C)C)sc4ncccc34)C2)n1 19703117 ZVVUGGZCLIMRHU-INIZCTEOSA-N 442.545 2.243 0 40 IEAB CCCn1cc(S(=O)(=O)N2CC[C@H](c3ncc(C(=O)N(CC)CC)c(C)n3)C2)c(C)n1 19757329 WWJLIAQMXCTSEM-KRWDZBQOSA-N 448.593 2.360 0 40 IEAB O=C(OCCN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1Cl 19869060 XEKARSRMCOLCRW-UHFFFAOYSA-N 433.917 2.264 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2=O)cc1OC 23056151 AOINJWWTYWOAQX-OLZOCXBDSA-N 425.441 2.415 0 40 IEAB COc1ccccc1N1C[C@H](C(=O)NCCNC(=O)c2cn(C)c3ccccc23)CC1=O 32092765 GNAKROHAEWDIKK-MRXNPFEDSA-N 434.496 2.086 0 40 IEAB O=C(CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc2c(c1)OCCO2 32092928 FTXINPMDKISARV-AWEZNQCLSA-N 427.432 2.095 0 40 IEAB CC[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C12CC3CC(CC(C3)C1)C2 36063215 IEFIMDFKBGXOHF-MMLZIGLBSA-N 435.590 2.263 0 40 IEAB O=C(C[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]c2ccccc12 36589826 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O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5C5(CCCCC5)[C@H]34)[C@H]2C1=O 247430254 ULJQFMBPPQGCOO-NYUZBCECSA-N 434.539 2.064 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)O2 260826493 BSUUEIDYJPTXRD-VBKZILBWSA-N 432.498 2.171 0 40 IEAB COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(OC)c1OC 409202872 SURRJMZFXIJAAH-OVCLIPMQSA-N 429.404 2.383 0 40 IEAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Br)cc3Cl)C(=O)[C@H]12 409309004 ZYRZRZODHRHALK-XJIUQZFPSA-N 426.650 2.479 0 40 IEAB Cc1cnc(CNC(=O)[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC23CCOCC3)nc1 585101830 DNDWZSIYMGWUKY-CQSZACIVSA-N 438.454 2.072 0 40 IEAB CCN1CCN(C(=O)Cn2cccnc2=O)[C@@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 585169044 WPPKBFFOEGEPGI-QFIPXVFZSA-N 448.498 2.351 0 40 IEAB CCn1cc(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)cn1 643556164 JTAHWBZHEVNEFS-XMMPIXPASA-N 440.544 2.378 0 40 IEAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)Cc5cc(F)cc(F)c5)C[C@H]4C3)ncnc21 2087067400 GOIPHBOYHXNAAA-HUUCEWRRSA-N 448.499 2.022 0 40 IEAB COc1ccc(Cn2nnnc2[C@H](c2ccc(OC)cc2)N2CCC(C(N)=O)CC2)cc1 1348729 AYPCVWGFQBQJAV-NRFANRHFSA-N 436.516 2.025 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)ccc1C 3426678 FJKPPCZQMSRSPT-UHFFFAOYSA-N 444.509 2.479 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nnc(-c3ccco3)o2)C1=O 8705827 YWDSHVKUAYUSND-HXUWFJFHSA-N 441.469 2.396 0 40 IEAB COC(=O)C1CCN(C(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)CC1 9519427 DNSQJYDKHQHOEI-UHFFFAOYSA-N 439.512 2.248 0 40 IEAB COc1ccccc1N1CCN(C(=O)Cn2nc(C)n3c(cc4sccc43)c2=O)CC1 12088747 VCBXINIQUUUNCK-UHFFFAOYSA-N 437.525 2.377 0 40 IEAB CCc1cc(O)n2nc([C@H]3CCCN3C(=O)Cn3nc(C)c4ccccc4c3=O)cc2n1 12154094 NPZLKNPTKNMEDU-LJQANCHMSA-N 432.484 2.379 0 40 IEAB Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1CC(F)(F)F 12796297 WKMNSLMUHWHCEV-UHFFFAOYSA-N 445.463 2.496 0 40 IEAB CN(C(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 12848291 AUHUKSIQZPIJSD-UHFFFAOYSA-N 427.530 2.080 0 40 IEAB CN(Cc1ccccc1F)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12990034 ZIWXXBGTMZNBEX-UHFFFAOYSA-N 437.512 2.320 0 40 IEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCCN1C(=O)c1cccs1 13037839 XUPMNGOOFVXAES-QGZVFWFLSA-N 440.525 2.264 0 40 IEAB CCN(C(=O)[C@H](C)OC(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 15852787 MROPRCCTSXILFK-RDJZCZTQSA-N 425.547 2.330 0 40 IEAB CCOc1ccc(-c2nnc3n(Cc4ccccc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 17315042 DNVKAFJYQPZSBB-UHFFFAOYSA-N 430.468 2.195 0 40 IEAB COc1ccc(CN2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCOCC4)n3)C2)cc1 19450168 UXRKVBSRVHLTLT-SFTDATJTSA-N 439.560 2.062 0 40 IEAB CNc1nc([C@@H]2CCCN(C(=O)C3CCN(C(C)C)CC3)C2)nc2c1CN(C(C)=O)CC2 19710588 HQVLPIBMRJZFSB-LJQANCHMSA-N 442.608 2.249 0 40 IEAB CC(=O)NCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2cccc(C)c2)C(=O)CC3)C1 19738802 KBKUXDMDGAWGIU-FQEVSTJZSA-N 449.555 2.067 0 40 IEAB CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](N)CSc1ccccc1 22048461 RPJUAXSSRMFQEF-XRYRHKQGSA-N 449.661 2.235 0 40 IEAB in-vitro CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1C(N)=O)O2 30946386 FGPMYNIVNHLLSI-GOSISDBHSA-N 431.514 2.249 0 40 IEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCS(=O)(=O)c2ccccc21 32801869 IFRPXFHDUHJUMG-UHFFFAOYSA-N 439.419 2.123 0 40 IEAB COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 32879974 PZLDKDYFWWELSP-UHFFFAOYSA-N 434.452 2.213 0 40 IEAB CCOC(=O)C1CCN(C(=O)c2cnn(-c3ccc(OC)nn3)c2C(F)(F)F)CC1 32909094 IXWQRTVGVBPADH-UHFFFAOYSA-N 427.383 2.105 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@H]1NCCCc1ccccc1 36589723 OIRMZXYQVMFERF-NQIIRXRSSA-N 437.583 2.165 0 40 IEAB C[C@H]1CN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)C[C@H](C)O1 36662245 HAPLPJWOJVSQND-HEHGZKQESA-N 443.504 2.394 0 40 IEAB O=C(NCc1cccnc1N1CCOCC1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 40104770 DWUUUECQLFIRQY-LJQANCHMSA-N 425.489 2.357 0 40 IEAB O=C(Cn1nc2ccc(-c3ccccc3)nn2c1=O)N1CCN(c2ccc(F)cc2)CC1 49399297 HTKIZXGSTSRNTR-UHFFFAOYSA-N 432.459 2.046 0 40 IEAB COC(=O)[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1 58142133 YDUVTZBFCWDVKS-KRWDZBQOSA-N 434.290 2.325 0 40 IEAB CCN(CC)[C@H](CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1cccc(OC)c1 60269811 YPWFOJYQBWSLMP-OAQYLSRUSA-N 446.573 2.247 0 40 IEAB CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)N4CCC(C(N)=O)CC4)ccn3n2)cc1 67262325 CUTSKYUWWSONMD-UHFFFAOYSA-N 435.528 2.400 0 40 IEAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 67287098 ZUAYBTHDGJZBRL-HXUWFJFHSA-N 445.516 2.141 0 40 IEAB O=C1C[C@@H](Cc2ccc(C(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)cc2)C(=O)N1 72301025 JMMBAVPOZMLXAQ-WBVHZDCISA-N 425.872 2.081 0 40 IEAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 95476212 FVNACRJJLOPDPT-LBPRGKRZSA-N 429.472 2.280 0 40 IEAB CN1C(=O)C2(CCN(c3ncccn3)CC2)CC12CCN(C(=O)c1cscn1)CC2 96262358 BPJHHAURXITWNT-UHFFFAOYSA-N 426.546 2.057 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222550824 UPZRZCHNTOVECB-HNNXBMFYSA-N 437.949 2.269 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222955134 CXLFZRQTWVEVCW-HXUWFJFHSA-N 431.558 2.169 0 40 IEAB CN(CCCC(=O)NCc1cccc(CN2CCOCC2)c1)S(=O)(=O)c1ccccc1 224742868 TZQHAEGWYNXTNR-UHFFFAOYSA-N 445.585 2.236 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1 225170184 VBJMPZZZIXECDY-UHFFFAOYSA-N 429.542 2.054 0 40 IEAB CCc1ccc(-n2nnc(C(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3)c2C)cc1 1775966448 FFFSYUXZKCMDCJ-UHFFFAOYSA-N 431.496 2.192 0 40 IEAB CC(C)c1nc(S(=O)(=O)N2CCC(Oc3ncc(Br)cn3)CC2)cn1C 1888876080 BFIVLLUEAOMSPK-UHFFFAOYSA-N 444.355 2.328 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 1889237073 KUBIGBHPIBRHMJ-QUCCMNQESA-N 426.542 2.217 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)C5CCCCC5)C[C@H]4C3)ncn2)n1 2086896558 QQYIVCXNZVAXBG-HDICACEKSA-N 430.578 2.310 0 40 IEAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2ccccc2)CC1 2966780 JTPIHIOQSLMCOY-IBGZPJMESA-N 433.537 2.483 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N1CCc2ccccc21 3252255 FJZLBGQEWWFWFJ-UHFFFAOYSA-N 436.917 2.329 0 40 IEAB COc1ccc(/C=C/c2nc(-c3ccccc3O)n(S(=O)(=O)N(C)C)n2)cc1OC 8766806 ZQJIJXJLQRSYSY-ZRDIBKRKSA-N 430.486 2.493 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)c(OC)c1 8768514 XKKJSUIUFWTXED-UHFFFAOYSA-N 442.515 2.053 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(OC)cc1 8995397 UBENITWJZOHZRX-RTWAWAEBSA-N 436.512 2.224 0 40 IEAB CCN1C[C@H](CN(C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)Oc2ccccc21 9469608 FBCBXQWDEXTPMV-AWEZNQCLSA-N 428.558 2.494 0 40 IEAB COc1cccc(CNC(=O)CSc2nc(=O)n(C[C@@H]3CCCO3)c3c2CCC3)c1 10255406 WWHAUJHLCZQHIK-KRWDZBQOSA-N 429.542 2.328 0 40 IEAB CCc1ccccc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccc(C)cc1 10283256 JJPLUCUAQPXZPK-UHFFFAOYSA-N 429.542 2.053 0 40 IEAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)CCc1ccccc1)CC2 10705497 JPJBBCAYYUIYDP-UHFFFAOYSA-N 432.542 2.141 0 40 IEAB CCOC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)nc1N 12517394 SZJNBMGXLRFARS-CYBMUJFWSA-N 431.518 2.191 0 40 IEAB O=C(c1ccccc1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 15779836 SIHYAKLEHPFYFP-UHFFFAOYSA-N 439.537 2.059 0 40 IEAB COc1ccc(OCCNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1 15858245 XGTJKRQYNOGWPN-UHFFFAOYSA-N 438.889 2.224 0 40 IEAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 17970709 HDISVSYTVQNHJS-OAHLLOKOSA-N 434.514 2.216 0 40 IEAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 18224708 XGTGBCHEKWLVEE-QGZVFWFLSA-N 430.482 2.212 0 40 IEAB Cc1ccc2oc(C(=O)N[C@H](C)C(=O)N3CCC[C@H](C(=O)CS(C)(=O)=O)C3)c(C)c2c1 19220462 UQFZKALVLVMXFM-CVEARBPZSA-N 448.541 2.020 0 40 IEAB O=C(COc1ncccn1)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1 19375336 UXPDFTJJLUVHGS-UHFFFAOYSA-N 446.511 2.183 0 40 IEAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)c2cnccn2)CCO1 19529331 NEJDVQCFVBACGW-XMMPIXPASA-N 431.496 2.129 0 40 IEAB COc1ccc(CC(=O)N2C[C@@H]3CCC[C@H](C2)C3(O)c2cnc(OC)nc2OC)cc1 19554013 UOHUFBKNTRUAJV-NWMVZANLSA-N 427.501 2.191 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)c4cnccn4)C3)nc2C)c1 19757838 XPOSUHALOCLBFR-KRWDZBQOSA-N 432.484 2.143 0 40 IEAB CNC(=O)c1cnc([C@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2)nc1C 19763573 SBXCRPJQDASKHD-KRWDZBQOSA-N 444.557 2.105 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1 22513310 AZSWKWOBJRCFCS-UHFFFAOYSA-N 440.525 2.132 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CNC(=O)/C=C/c2ccccc2)c1 32721930 RHWKCMNYVMJKPY-JLHYYAGUSA-N 431.514 2.191 0 40 IEAB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(CN2C(=O)CC3(CCCC3)C2=O)CC1 32934449 YNJXOKHKAQNYLK-LJQANCHMSA-N 433.936 2.449 0 40 IEAB C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)CN1CCCCC1 40156763 VGKOKZGNYPBHGJ-SFHVURJKSA-N 443.635 2.262 0 40 IEAB CCn1c(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952329 OXCBBSIQSIDABH-UHFFFAOYSA-N 437.331 2.072 0 40 IEAB CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 57015977 XBXPHFLGJUURMA-UHFFFAOYSA-N 430.940 2.199 0 40 IEAB COCc1nc(C(=O)NCC(C)(C)CN(C)C(=O)c2csc(COC)n2)cs1 72309953 CUCYRFGDEQWGGK-UHFFFAOYSA-N 426.564 2.421 0 40 IEAB COC(=O)CC[Sn](CCC(=O)OC)(c1ccccc1)c1ccccc1 195752492 BRNIQHPGRQWPFQ-UHFFFAOYSA-N 447.119 2.376 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222376216 DBIIATHYDLMRGV-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2CN2CCCC2)cc1 224804318 RTPQUSZZBILWAI-UHFFFAOYSA-N 431.558 2.228 0 40 IEAB C[C@H](C(=O)N(C)C[C@H]1CCN(C)C1)N1CC[C@]2(CCC1=O)CC(=O)c1ccccc1O2 253378296 ZXSIHGQTZVOSAY-NXMSCROESA-N 427.545 2.202 0 40 IEAB CCN1CCN(CCCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257281926 ORNOCEKSWSLWDD-JRINMYIISA-N 439.604 2.118 0 40 IEAB C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)CCN1c1nccn2cnnc12 534766178 MUXMIBBFQOCJEN-OAHLLOKOSA-N 442.470 2.188 0 40 IEAB O[C@@]1(CN2CCC(F)(F)CC2)CCN(Cc2ccc(OCCN3CCOCC3)cc2)C1 585274733 ZUKKDSNWLJLQMC-JOCHJYFZSA-N 439.547 2.066 0 40 IEAB C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)c1c(F)cccc1F)CC2 643564996 QFUZMXOCNGKLBM-HNNXBMFYSA-N 437.487 2.009 0 40 IEAB Cc1cnn(CC(=O)N2CCOc3ccccc3Oc3ncccc3C(=O)N(C)CC2)c1 643566927 LKPSQVXIJGKTCB-UHFFFAOYSA-N 435.484 2.372 0 40 IEAB Cc1cc(N2CCC[C@@](O)(CNC(=O)CCc3nc4ccc(Cl)cc4[nH]3)C2)ncn1 2037880089 XJYJTJORMMNJBB-OAQYLSRUSA-N 428.924 2.395 0 40 IEAB O=C1C[C@@H](Cn2cc(C(=O)N3CCN(c4ccccc4)CC3)nn2)CN1Cc1ccccc1 2087079666 RSLTWOUHTZHUQN-OAQYLSRUSA-N 444.539 2.289 0 40 IEAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2101904 ZNPBDNKXXGCIQY-JKSUJKDBSA-N 434.496 2.482 0 40 IEAB biogenic COC(=O)CN1C(=S)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 2409999 XPWUYJILDDUVCB-KRWDZBQOSA-N 445.472 2.338 0 40 IEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2c[nH]c3ccccc23)c(=O)[nH]c1=O 3428449 ULOFZYDTDQYEEC-UHFFFAOYSA-N 447.495 2.022 0 40 IEAB COC(=O)[C@@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@H]1OS(=O)(=O)O 5048146 XBZJQPNSUUABAM-WPLONRSQSA-N 434.514 2.474 0 40 IEAB in-vitro CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 8791303 FIRAKOBZCZTWHB-WJBZZZKMSA-N 447.557 2.155 0 40 IEAB biogenic Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl 8834597 FKGFDEFPIKDDEY-UHFFFAOYSA-N 438.922 2.002 0 40 IEAB Cc1ccc([C@]23CCC(=O)N2[C@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)CS3)cc1 9126578 YCBPYBOXKHJNSA-FXAWDEMLSA-N 431.539 2.172 0 40 IEAB O=C(OCc1ccccc1)C1=NN[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 9191664 IXCBXTHFNJSSIN-GJZGRUSLSA-N 428.242 2.010 0 40 IEAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)[nH]c(=O)n(CCc2ccccc2)c1=O 9334866 ODRKDSFEGZQUNL-NRFANRHFSA-N 432.480 2.210 0 40 IEAB biogenic O=C1CCCN1Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 9463530 IGCVDIBMIVUCSI-UHFFFAOYSA-N 433.555 2.017 0 40 IEAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 9465656 XDFGTOZNSFXOJX-KNQAVFIVSA-N 441.553 2.492 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 9669716 FXMICTDYSCAACZ-UHFFFAOYSA-N 446.529 2.223 0 40 IEAB O=C(CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1)Nc1cc(Cl)ccc1Cl 12444068 WARFXKJXOHTZKN-UHFFFAOYSA-N 442.284 2.200 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nnc(CC(C)C)s1 12946283 PUGIVVYJAHUHTH-UHFFFAOYSA-N 440.547 2.018 0 40 IEAB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NC2=NCCS2)c1 13117629 BUPNDDMZNSEJTC-OAHLLOKOSA-N 445.570 2.332 0 40 IEAB C[C@@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)cc2NC1=O 13987115 YPCODUKWXZMUGX-XJKSGUPXSA-N 445.497 2.116 0 40 IEAB CCc1cccc2c1NC(=O)[C@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 16020717 FIWJEROXCFEZOZ-BCZPNQDQSA-N 425.529 2.073 0 40 IEAB CCc1ccc(CN(C(=O)C2=C[C@@H]3C=CC=C[C@@H]3OC2=O)[C@@H]2CCS(=O)(=O)C2)cc1 16734915 IGOMAWOSTUZDRY-ZVDOUQERSA-N 427.522 2.359 0 40 IEAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3cccc(NS(C)(=O)=O)c3)c2C)n1 23131063 GFYBXBQLIYBBQC-UHFFFAOYSA-N 428.518 2.449 0 40 IEAB CCN1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 26113785 XAFCVVHAVIICLF-HXUWFJFHSA-N 449.960 2.460 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)COC(=O)c1cc2cc(F)ccc2[nH]1 31403068 AHOMVTXDPSYCJA-UHFFFAOYSA-N 433.461 2.031 0 40 IEAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2Cc2ccccc2)c1=O 32765045 YCRPDVUSUYMGCA-UHFFFAOYSA-N 447.539 2.349 0 40 IEAB COc1ccc(-n2ncc(C(=O)NC[C@@H]3COc4ccccc4O3)c2C(F)(F)F)nn1 32905832 YKYXXPCCBUNGBX-LLVKDONJSA-N 435.362 2.260 0 40 IEAB Cc1ccc(S(=O)(=O)c2cn(C[C@@H]3CCCO3)c(=O)n(-c3ccccc3)c2=O)cc1 35681861 RZZBAGMZPGXLRS-SFHVURJKSA-N 426.494 2.319 0 40 IEAB CC[C@@H](C)N(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCS(=O)(=O)C1 57463340 UFGYTZPKBWXJIH-APWZRJJASA-N 427.998 2.276 0 40 IEAB CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCc1ccc(F)cc1 64775073 HZOWCJWMVKZTGR-UHFFFAOYSA-N 449.486 2.192 0 40 IEAB CNc1cc([C@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)C3CCCC3)CC2)n1 72341542 WETFXMGIYSUMJE-SFHVURJKSA-N 429.565 2.377 0 40 IEAB COc1ccc(-n2ncc3c2N(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)C(=O)N2CCN=C32)cc1 72347811 UTWMFRMBJOORKB-IYBDPMFKSA-N 436.516 2.388 0 40 IEAB O=C(CSCc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 89840324 FTGJKNSCHHTJHY-UHFFFAOYSA-N 448.566 2.224 0 40 IEAB CCN1CCN(Cc2ccccc2CNC(=O)c2cnc3sc(C)cn3c2=O)CC1 95458718 UQQRDEHEPXFIDD-UHFFFAOYSA-N 425.558 2.132 0 40 IEAB COC(=O)c1c(NC(=O)CN2CCN(c3ccc(C)cc3)[C@H](C)C2)sc(C(N)=O)c1C 102645226 HGJXZTPRHGCMKN-CQSZACIVSA-N 444.557 2.400 0 40 IEAB COc1ccc(CC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 105548044 JAZJNHQFZYYYHI-PBWTXFEYSA-N 436.574 2.200 0 40 IEAB O=C(CC[C@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 206245009 IZSANECBDDLVFG-FAZYEBOESA-N 436.512 2.338 0 40 IEAB COc1cccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)c1 220160545 JDTSJBPFHOHUPB-KRWDZBQOSA-N 447.557 2.207 0 40 IEAB COc1ccc(-c2noc(CNC(=O)c3cccc(N(C)S(C)(=O)=O)c3)n2)c(OC)c1 222424262 UNIOSAUCHJPNAU-UHFFFAOYSA-N 446.485 2.080 0 40 IEAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224666819 RCEVWHLIJCBXCA-YTQUADARSA-N 443.519 2.409 0 40 IEAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCN(C)C[C@@](O)(Cn4ccnc4C)C3)c2)n1 257344808 ZYTCZMDNTLDMOO-XMMPIXPASA-N 449.559 2.161 0 40 IEAB CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)NCc3cccs3)cn12 306137664 RCQKMWUJVCWYEM-KRWDZBQOSA-N 434.529 2.004 0 40 IEAB CC(C)c1cccc(O[C@@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c2ccccc2)c1 500617131 BHYLIVURGAXKBP-HSZRJFAPSA-N 448.527 2.288 0 40 IEAB O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)N1CCN(c2ncccn2)CC1 512035225 NRTZNFXSWOSRAR-OAHLLOKOSA-N 436.438 2.486 0 40 IEAB O=S1(=O)C[C@@H](O)[C@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1 575423360 PNYSRMKEQLWYBN-NHCUHLMSSA-N 431.535 2.189 0 40 IEAB CCn1cc(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)cn1 643556161 JTAHWBZHEVNEFS-DEOSSOPVSA-N 440.544 2.378 0 40 IEAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H](c3ccccc3)c3ncn(C)n3)CCOCC2)o1 1547138674 FBVWDNPIXCMVPR-LJQANCHMSA-N 438.484 2.126 0 40 IEAB biogenic CC(C)N(C)CC(=O)N1CCO[C@]2(C1)C(=O)N(Cc1cccnc1)C[C@@H]2c1ccccc1 2055785684 YRAPZNCAJWDQMA-RDGATRHJSA-N 436.556 2.145 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(OC)cc2)c1=O 1330765 UNXMGBOQKCLGLE-UHFFFAOYSA-N 433.424 2.016 0 40 IEAB COC(=O)CN1C(=S)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(OC)cc1 2410000 XPWUYJILDDUVCB-QGZVFWFLSA-N 445.472 2.338 0 40 IEAB CCOC(=O)c1sc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c(C(N)=O)c1C 2769510 BEAKMTXUXLMEJQ-UHFFFAOYSA-N 438.416 2.268 0 40 IEAB COc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 8430671 WLHZYXWRJDLHCU-LBPRGKRZSA-N 427.320 2.441 0 40 IEAB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)N1CCN(c2ccccn2)CC1 8718689 SPUOMWMLMXHXQW-QFIPXVFZSA-N 449.555 2.010 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)c2ccc(Cl)s2)cc1 8878832 GLRNLUNVOREMCA-JTQLQIEISA-N 444.918 2.453 0 40 IEAB CCOc1ccc(N2C(=O)C(=O)N(CC(=O)N3CCc4ccccc43)C2=O)cc1OCC 9125218 DRFQTQWPCFNDML-UHFFFAOYSA-N 437.452 2.369 0 40 IEAB CCN(C(=O)CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@H]1CCS(=O)(=O)C1 9430077 URBAVDJJVSFDMH-HNDQUVLASA-N 440.518 2.288 0 40 IEAB O=C(CN1C(=O)C(=O)N(CCc2cccs2)C1=O)c1cccc(N2CCCC2=O)c1 9610012 QUHZCCREHQWLPW-UHFFFAOYSA-N 425.466 2.091 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3sccc3C)CC2)c(C)c1 9630875 OAJATCKUOMLUNI-UHFFFAOYSA-N 436.555 2.363 0 40 IEAB O=S(=O)(Nc1ccc2c(c1)OCCCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 9689965 LUHNQNBZZCJGPW-UHFFFAOYSA-N 438.527 2.433 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccc(Cl)cc2)cc1 10111584 WXAHXFYGPWUQSO-UHFFFAOYSA-N 425.938 2.222 0 40 IEAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 13060989 YMIADGVSCBXIGQ-UHFFFAOYSA-N 433.578 2.269 0 40 IEAB COc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)NN2)cc1OC 13572035 OVXRCFVBLWCTJF-QFVIEVDGSA-N 442.859 2.433 0 40 IEAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 13814633 SJQXXJXXLMEDFO-NGICGMGXSA-N 449.507 2.308 0 40 IEAB CNc1snc(C)c1C(=O)OCC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C 16554246 OVUMDEZENKTJQA-CYBMUJFWSA-N 425.532 2.311 0 40 IEAB COc1ccc(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc(O)c(OC)c2)c(OC)c1 17087083 BNDKQWBOUASPAW-IBGZPJMESA-N 438.444 2.332 0 40 IEAB C[C@@H]1CN(CC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)C[C@@H](C)O1 19497455 PZTACEVPWWFBQB-HZPDHXFCSA-N 426.546 2.294 0 40 IEAB CN1CCO[C@@H](c2c(C(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)sc3ccccc23)C1 19696773 ZHMZAKYYWPLQJQ-OAHLLOKOSA-N 442.541 2.061 0 40 IEAB Cc1nn2c([C@@H]3CN(C(=O)Cc4ccccc4)CCO3)ccnc2c1CN1CCOCC1 19707715 ZBJVOQSUNIVLCZ-QFIPXVFZSA-N 435.528 2.013 0 40 IEAB CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@H]2CCCCN2)n1 19709940 MNBMOKPLXYSCAQ-GOSISDBHSA-N 444.561 2.038 0 40 IEAB COc1ccc2c(c1)CCCN2C(=O)CN1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 22848505 XZVLLVYAPFWHLH-PMACEKPBSA-N 442.604 2.097 0 40 IEAB O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCN(C(=O)N2CCCC2)CC1 25056861 KCYHAHUBXJTBQP-UHFFFAOYSA-N 442.541 2.461 0 40 IEAB COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3F)CC2)cc1OC 25202137 TVRCWFZEVVXJID-UHFFFAOYSA-N 447.482 2.446 0 40 IEAB CCN(CC(=O)NCC1(N2CCOCC2)CCCCC1)C[C@@H]1COc2ccccc2O1 31174150 BEIWFNSHWQCLGM-HXUWFJFHSA-N 431.577 2.300 0 40 IEAB O=C(Cn1cccc2c(=O)n(Cc3cccs3)c(=O)nc1-2)c1ccc2c(c1)OCCO2 32616609 HGYYPDILSSSASS-UHFFFAOYSA-N 435.461 2.274 0 40 IEAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3ccc(-n4cncn4)nc3)cc2)c1C 48235074 JEQZEQOWJIASJD-UHFFFAOYSA-N 431.456 2.263 0 40 IEAB C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1nnc([C@H]2CCCO2)s1 49549752 QDISZCKEQDKVDG-XJKSGUPXSA-N 448.524 2.388 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c2ccccc12 58162012 YIRMDECKIPDCMO-LJQANCHMSA-N 431.558 2.341 0 40 IEAB O=C1CN(S(=O)(=O)c2cccc(NC(=O)C3(c4cccc(F)c4)CCC3)c2)CCN1 59253010 MLPUQDANXTXKGU-UHFFFAOYSA-N 431.489 2.007 0 40 IEAB CCN(CC(C)(C)O)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 72310426 WRLPSYFRJNFUOZ-OKILXGFUSA-N 432.970 2.371 0 40 IEAB O=c1cc2c(nn1CN1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)CCCCC2 79484280 RTOHLAFODQRUGR-UHFFFAOYSA-N 436.965 2.130 0 40 IEAB S=C(NCCN1CCOCC1)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 223893749 BFDQMOUGZMWIMO-UHFFFAOYSA-N 426.590 2.027 0 40 IEAB CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(OC)c(F)c1 225110940 JJEGITNPEISAEE-UHFFFAOYSA-N 425.434 2.364 0 40 IEAB Cc1cc(C)c2[nH]c(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cnc5c(N)ncnc54)C3)nc2c1 257292399 QLHDKKHXWLFATJ-WAIKUNEKSA-N 448.531 2.059 0 40 IEAB Cc1nc(CN2CC[C@]3(CN(C(=O)Cc4ccco4)C[C@H]3c3cn(C)cn3)C2=O)cs1 306140257 UOEMQGHEGMUYPU-PGRDOPGGSA-N 439.541 2.365 0 40 IEAB CC(C)[C@@H](C(=O)Nc1ccc(C(=O)NCCC(=O)O)cc1)n1nnc(-c2ccccc2)n1 539568672 AMSYHYKNOIAFJL-IBGZPJMESA-N 436.472 2.380 0 40 IEAB CN1[C@H]2CC[C@H]1CC(N1CC(=O)NCCCCCOc3ccc(CC(=O)O)cc3C1)C2 643574856 VUQJLAAVJCWFRZ-PMACEKPBSA-N 429.561 2.420 0 40 IEAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccccc1CN1CCCC1 1848352703 WZNBTOVNVZXPGQ-XMMPIXPASA-N 434.584 2.398 0 40 IEAB COc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(OC)c1 822818 SUALZYVDSIGTIG-ROUUACIJSA-N 431.448 2.180 0 40 IEAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1 1264418 ZVYDNWIQBDXXHS-UHFFFAOYSA-N 432.571 2.203 0 40 IEAB Cn1c(=O)c2c(nc(NCCc3ccc(F)cc3)n2Cc2ccc(F)cc2)n(C)c1=O 1409295 HCJARKTXQDQOHH-UHFFFAOYSA-N 425.439 2.415 0 40 IEAB C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)N(C)C1CCCCC1 7985234 PCUWXFRYMZJVBJ-HNNXBMFYSA-N 427.592 2.374 0 40 IEAB CCOC(=O)c1sc2nc([C@@H](C)OC(=O)CN3CCSC3=O)[nH]c(=O)c2c1C 8718921 UGAKFSRGXCEPSL-SECBINFHSA-N 425.488 2.243 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(C(=O)C2CC2)CC1 8778380 LZERBFPEBDPCPY-UHFFFAOYSA-N 447.601 2.265 0 40 IEAB C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)NCCN4C(=O)CSC4=O)cc3c2C1 9515257 PAFDZCHDTPQZRT-GFCCVEGCSA-N 429.498 2.261 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)c2cccn(OCc3ccccc3F)c2=O)n1 9599685 ULLQHCAFZLVNMI-UHFFFAOYSA-N 431.445 2.431 0 40 IEAB COc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cc(C)ccc1C 9807415 IEWQIYFCAUFRIC-KRWDZBQOSA-N 445.541 2.220 0 40 IEAB O=C(NCc1ccccc1Cl)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 10219689 BGEGTEGGNQOFOW-UHFFFAOYSA-N 444.900 2.209 0 40 IEAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)CC1 11375271 VTCCUHCQPCDDCG-UHFFFAOYSA-N 427.526 2.242 0 40 IEAB CCOc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCC(N)=O 12275576 JHLQYFXDYHIAOP-KRWDZBQOSA-N 438.532 2.262 0 40 IEAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3ccccc3F)n2)o1 12480250 JRDDNXWXESFKMO-UHFFFAOYSA-N 440.479 2.468 0 40 IEAB CCCCn1c(N)c(N(C(=O)Cn2ccc(C(F)(F)F)n2)C2CCCC2)c(=O)[nH]c1=O 12691896 PWABUWMSZUKNIB-UHFFFAOYSA-N 442.442 2.110 0 40 IEAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 12945219 PPZJXNQKSIHJNN-FUHWJXTLSA-N 446.500 2.270 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2sc3ncn(C)c(=O)c3c2C)c1C 14199676 OVTZIRBRSCGCDQ-NSHDSACASA-N 431.470 2.463 0 40 IEAB COc1ccc(NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC 15917607 XCGHJJBZAHJYRG-OAHLLOKOSA-N 428.514 2.070 0 40 IEAB CN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Br)cc1 16187943 PFZVHCINNWNVAU-UHFFFAOYSA-N 441.303 2.115 0 40 IEAB Cc1nn(-c2nc(=O)c(C)c(C)[nH]2)c(C)c1CCC(=O)N1CCN(Cc2ccccc2)CC1 16980721 ASUPPUPVPSUFBX-UHFFFAOYSA-N 448.571 2.466 0 40 IEAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cnccn2)CCO1 19580821 PZQQQJWKYQMPML-DEOSSOPVSA-N 431.496 2.081 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 19702753 QYECSNSIRQYDES-CQSZACIVSA-N 449.558 2.100 0 40 IEAB CCN1CCC(CC(=O)N2CCC[C@H](c3nc4c(c(NC)n3)CN(C(C)=O)CC4)C2)CC1 19710519 WNQLLABODDRYCA-IBGZPJMESA-N 442.608 2.251 0 40 IEAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cnn(C)c2)ncc1C(=O)Nc1ccc(F)cc1 19755532 CZMVNUNZCLAEJD-SFHVURJKSA-N 444.492 2.436 0 40 IEAB Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C[C@@H]3CCCCO3)CC2)n1 19758633 GYJFZVJQQBFFNP-FQEVSTJZSA-N 439.560 2.485 0 40 IEAB CCc1ccccc1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O 22330092 WMMWAPPTXKOWPH-OAHLLOKOSA-N 438.571 2.296 0 40 IEAB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 22372717 OMGCYQTTXSKJOB-INIZCTEOSA-N 434.514 2.116 0 40 IEAB Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1NS(C)(=O)=O 22874391 JECSZUKFAJGELX-UHFFFAOYSA-N 431.514 2.053 0 40 IEAB C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1nc2ccccc2c(=O)[nH]1 22888247 PEZPHLPJEXGCLX-ZDUSSCGKSA-N 432.527 2.192 0 40 IEAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc4c(cc3Br)OCCO4)ccc21 23018940 GUMKFFBIOKMZDH-UHFFFAOYSA-N 441.259 2.466 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c1 24760302 KXVIZZCBLIPBJT-UHFFFAOYSA-N 449.916 2.492 0 40 IEAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O 27155983 HJAICGVAVWHUCN-NRFANRHFSA-N 435.528 2.243 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cc1cc(=O)n2cccc(C)c2n1 28721882 CCWSLRXLILSGIX-HSZRJFAPSA-N 442.523 2.479 0 40 IEAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)Cn1cnc2ccccc2c1=O 29072057 IBBSGLAQMHGELO-UHFFFAOYSA-N 432.402 2.347 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccc(C(C)=O)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1 57414305 BVZRVXFBCRUCRH-HSZRJFAPSA-N 448.523 2.492 0 40 IEAB CNc1cc([C@@H]2CCCNC2)nc(CN(C)C(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)n1 72370169 LCJUBXNIGBQUNP-OAHLLOKOSA-N 438.532 2.367 0 40 IEAB Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCc4ccc(-n5ccnc5)nc4)c3)cc21 95945821 JJJHDSYRHUXNLH-UHFFFAOYSA-N 425.452 2.439 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C)c(F)c4)[C@H]3C2=O)cc1OC 101169851 KHNYNZVOVSLORG-RTBURBONSA-N 441.419 2.083 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(Cl)c4)[C@H]3C2=O)cc1OC 101170083 PDHHBNXFPFCOHX-ZWKOTPCHSA-N 443.847 2.289 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccccc1OC 106615750 UYFCAJYZUVLUDS-MGPUTAFESA-N 445.516 2.141 0 40 IEAB COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1C(=O)N1CCCC1 223870502 FVDOOESNWCQYSY-UHFFFAOYSA-N 432.498 2.181 0 40 IEAB Cc1ccccc1-c1noc(CNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)n1 224993768 ASXDPDFIBVLKGL-UHFFFAOYSA-N 436.519 2.360 0 40 IEAB S=C(NCc1ccco1)Nc1nc(Sc2ncccn2)cc(N2CCOCC2)n1 225912061 KQOWFZGCJYKKJX-UHFFFAOYSA-N 429.531 2.334 0 40 IEAB CC(=O)NCC(=O)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 257242521 ICXVMUCKYWXVOR-GOSISDBHSA-N 440.422 2.086 0 40 IEAB CN(C)CCOc1cccc(C(=O)N(C)C[C@]2(O)CCN(c3ccnc4cccnc34)C2)c1 257247092 IXJWAUWMSOKNJX-RUZDIDTESA-N 449.555 2.284 0 40 IEAB NC(=O)C[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)CC[C@@H]1Oc1ccc(F)cc1 257318438 VNXOHGLLIWJOGH-WFASDCNBSA-N 428.386 2.213 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 408589367 FFQAJMWTBNDSFW-GOSISDBHSA-N 431.558 2.015 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 408705303 BSSZVZYHUKPNFZ-UHFFFAOYSA-N 434.470 2.387 0 40 IEAB CCCNC(=O)c1ccc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 511758083 VIVOXBIOHLEPHC-UHFFFAOYSA-N 429.542 2.309 0 40 IEAB CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 585107020 OJZIKLNMDMVCCO-RCZVLFRGSA-N 439.531 2.153 0 40 IEAB COc1ccc(CNC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)c(OC)c1 585284475 LGTQBBUXRLJAGR-UNMCSNQZSA-N 434.920 2.085 0 40 IEAB Cc1nc2ccccn2c1C(=O)N1CC[C@]2(CCc3nnc(C(=O)NCC4CC4)n3CC2)C1 2055793538 RIBLAEHKAUJVND-DEOSSOPVSA-N 447.543 2.243 0 40 IEAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccccc3OC)n2N)cc1OC 3320483 FEKVOYQYZXEPDC-UHFFFAOYSA-N 443.529 2.136 0 40 IEAB Cc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 3367870 HUXJLLUGESMQQV-UHFFFAOYSA-N 440.485 2.491 0 40 IEAB COc1ccc([C@@H]2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 3640862 GBQJALOKJUMMDN-OAQYLSRUSA-N 445.541 2.461 0 40 IEAB COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)CSC)[C@H]2C(=O)N3)cc1 8296539 HEWREMWVNDNYGL-ICSRJNTNSA-N 425.510 2.377 0 40 IEAB biogenic,in-vitro NS(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 9128125 COAMXIDSUAIWJL-GOSISDBHSA-N 425.466 2.133 0 40 IEAB COC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)N(Cc1ccc(F)cc1)c1ccccc12 9210891 JRKVHJWBJJVXHB-HSZRJFAPSA-N 434.427 2.426 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 9562543 DDXGKIUJIZJHDF-UHFFFAOYSA-N 434.558 2.244 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3ccccc3C2)c1 9614338 LJKSSTZSSXLARX-LJQANCHMSA-N 430.526 2.442 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)cc1 9708525 GVQNQKTUBJWPKZ-UHFFFAOYSA-N 442.584 2.258 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1C 10301410 MFVAUWHDSYKDED-UHFFFAOYSA-N 431.558 2.363 0 40 IEAB O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(CN2CCCC2=O)c1 10607681 GEMNSFQJUARWEC-UHFFFAOYSA-N 439.487 2.454 0 40 IEAB CC(=O)COc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC(=O)N(C(C)C)C1=O 12322746 KXZCCZJBLCHVJF-UHFFFAOYSA-N 437.518 2.006 0 40 IEAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@H](C)C(=O)O)CC1 12880807 KIDORVQUOANXCJ-RRLIJXGGSA-N 441.569 2.438 0 40 IEAB biogenic CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Cn2nnc3ccccc3c2=O)c1 12936636 OGOWGVQLRGMFMK-UHFFFAOYSA-N 449.920 2.114 0 40 IEAB O=C(CN(Cc1cccs1)C(=O)CCC(=O)Nc1nccs1)NC[C@H]1CCCO1 13501973 IFXPENBAEQGQBL-CQSZACIVSA-N 436.559 2.247 0 40 IEAB Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(C)(=O)=O 13566663 PDSHROKAPGIRSM-UHFFFAOYSA-N 436.921 2.244 0 40 IEAB CCOC(=O)c1c(NC(=O)c2cc(C(=O)N3CCOCC3)nn2C)sc2c1CCCC2 13961539 MATWVDOHGFRCJH-UHFFFAOYSA-N 446.529 2.262 0 40 IEAB O=C(NCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1F 14080709 DOUMOQQQNVARRI-UHFFFAOYSA-N 428.361 2.457 0 40 IEAB COC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)N=C2NN=C(C(F)(F)F)N2[C@@]1(C)O 15953181 NIVZTNPERHLOPR-RBZYPMLTSA-N 435.200 2.139 0 40 IEAB COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4ccc(=O)[nH]n4)C3)cc2)cc1 19558244 KXEIOTHHPKGLAU-VWLOTQADSA-N 446.507 2.396 0 40 IEAB COc1cc2ncn(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC 20763098 ADQZZPKUSNBMCM-UHFFFAOYSA-N 429.429 2.078 0 40 IEAB biogenic CCCCNC(=O)Cc1noc(CN2CCN(CCOc3ccc(Cl)cc3)CC2)n1 29702301 YKAQUCOYOQGMSD-UHFFFAOYSA-N 435.956 2.378 0 40 IEAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1 30958721 RHBSFMWGJSCEBI-UHFFFAOYSA-N 443.591 2.228 0 40 IEAB CCOc1ccccc1CN(C[C@H](C)O)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 40138980 YZLLXDPCTGLGDQ-JKSUJKDBSA-N 435.546 2.386 0 40 IEAB Cn1cc(-c2nc(C(=O)N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cs2)cn1 40154160 CBAKZZLIAZKAGJ-UHFFFAOYSA-N 449.533 2.266 0 40 IEAB COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O 49581388 IGHAGBLBWLGQEK-CQSZACIVSA-N 431.876 2.279 0 40 IEAB CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)c(OC)cc2OC)C1)C(C)C 89978059 ICOIQTMAKFLTGT-KZULUSFZSA-N 426.897 2.414 0 40 IEAB COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN3CCSCC3)n1C)CC2 96114063 BCVFIMXKKGSZBX-UHFFFAOYSA-N 445.585 2.215 0 40 IEAB biogenic CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224072664 LUAFEYSMUBINTQ-QGZVFWFLSA-N 449.548 2.188 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225225261 RKSYMKNPMBPPTL-INIZCTEOSA-N 435.521 2.063 0 40 IEAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225725357 DUIHYFYDMKXICN-UHFFFAOYSA-N 432.454 2.326 0 40 IEAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC)S(C)(=O)=O 260755695 JQGLFFKOSBQZIE-MRXNPFEDSA-N 449.548 2.317 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccnc4OC)C[C@@H]2C3)cc1 306135405 OPZZYQAJTFWXKK-DLBZAZTESA-N 434.500 2.247 0 40 IEAB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1Cl)[C@H]1C=C[C@@]2(C2OCCO2)O1 409306632 QHXGSCNXDSRXDC-IPJQOSJUSA-N 426.650 2.288 0 40 IEAB CCOC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)c(C)c3)C2)CC1 585283092 PRAQZNTWYHGSQM-DEOSSOPVSA-N 447.576 2.198 0 40 IEAB CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4ccc(Br)o4)nn23)C1 1501040350 KDMMGHLGSCSDOE-MRVPVSSYSA-N 432.325 2.347 0 40 IEAB COc1cc(C(=O)NC[C@@H]2CC[C@@H]3CN(C(=O)NC(C)C)c4ccccc4CN23)on1 1565556788 WBOVUFUDNIRBDD-DLBZAZTESA-N 427.505 2.384 0 40 IEAB NC(=O)COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 3655722 VYIITDUCBABFKX-QGZVFWFLSA-N 434.433 2.258 0 40 IEAB Cc1ccccc1-c1nc2scc(CCNC(=O)C(=O)Nc3ccc(C(N)=O)cc3)n2n1 8768844 KZSIDGWBLLWQDA-UHFFFAOYSA-N 448.508 2.163 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC(=O)Nc3ccccc3)C2)cc1 9184512 GMMZTDJWCOBZHD-QGZVFWFLSA-N 445.541 2.241 0 40 IEAB Cc1cc(C)n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nnc2n1 9592856 SRCWGEUFPMCWTK-UHFFFAOYSA-N 442.545 2.236 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 9667726 XFLRRLYXMIRVEK-KRWDZBQOSA-N 449.504 2.139 0 40 IEAB Cc1cccc(CN2N=C(c3ccc(F)cc3)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 9707547 BDLQHZOJTBKJFU-UHFFFAOYSA-N 432.459 2.306 0 40 IEAB C[C@H]1CCCCN1C(=O)CSC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 9973925 CLVQFOJXKLPONY-AWEZNQCLSA-N 430.530 2.495 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)C2=O)cc1 10027046 CRXFKHSJFIUHJM-WIUDPPPLSA-N 440.481 2.240 0 40 IEAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(CCCN(C)C)c(C)c(C)n34)n(C)c2=O)c1 10104032 JTVBEGPFYYDZOJ-UHFFFAOYSA-N 436.560 2.383 0 40 IEAB O=C(COc1ccccc1F)NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21 12071748 XAKUBVNZOZNMEJ-UHFFFAOYSA-N 439.422 2.115 0 40 IEAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H]1OCCN1C(=O)c1ccc(Cl)cc1 12080697 PYVCVYFDSXGCJQ-QGZVFWFLSA-N 436.295 2.225 0 40 IEAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H]1CCSc2ccc(F)cc21 12947487 IRCHHWWVRJIXDC-MRXNPFEDSA-N 439.534 2.152 0 40 IEAB CCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13572150 AEIZHXWFYSWLLE-MTXNFPGFSA-N 437.471 2.295 0 40 IEAB COc1c(Br)c([C@@H]2ON=C(C(N)=O)[C@@H]2C)c(Br)c2c1OCO2 15084100 ASNKBXGQJLOCGS-AJAUBTJJSA-N 436.056 2.498 0 40 IEAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19333289 NSZQWTOTGHZPIB-NRFANRHFSA-N 440.519 2.352 0 40 IEAB O=C(c1cnccn1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349317 PFGXFWHSJQUNPB-HXUWFJFHSA-N 434.475 2.235 0 40 IEAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cnccn2)CCO1 19580818 PZQQQJWKYQMPML-XMMPIXPASA-N 431.496 2.081 0 40 IEAB CN1C[C@H](C(=O)N2CCC[C@H]2c2nc(O)c3c(n2)CN(CC2CCCCC2)CC3)CC1=O 19587277 WOVMGSVSPMTJJD-XLIONFOSSA-N 441.576 2.262 0 40 IEAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)cc2c1 19826074 BWJVXTDLPHQXNC-QFIPXVFZSA-N 429.528 2.208 0 40 IEAB O[C@H](COC(C(F)(F)F)C(F)(F)F)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22036453 CPSYLDLIULKSGI-ZDUSSCGKSA-N 444.372 2.404 0 40 IEAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)N1CCN(C)CC1 22766385 MUADVHUQSCGKFL-KRWDZBQOSA-N 436.965 2.454 0 40 IEAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(=O)n(CCOc2ccccc2)n1 23736842 JDBPJPAWHHDBAC-UHFFFAOYSA-N 440.544 2.087 0 40 IEAB COc1ccc(-c2nc(C)c(C(=O)N3CCN(CC(=O)NC4CC4)CC3)s2)cc1OC 35310629 YXQXHGSIKWZNBF-UHFFFAOYSA-N 444.557 2.172 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCc2ccccc21 36386784 FJRSAVLQEJWCSD-UHFFFAOYSA-N 425.554 2.071 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1N1CCc2ccccc2C1 36592976 XYVHLQSJMNANEA-GHTZIAJQSA-N 435.567 2.001 0 40 IEAB Cc1ccc2c(=O)c(C(=O)N3CCOCC3)cn(CC(=O)Nc3ccc(C)c(C)c3)c2n1 49002292 IQSMUNNKPZHWEL-UHFFFAOYSA-N 434.496 2.433 0 40 IEAB C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ccc(O)cc2)CC1 58137364 WQKVWUAVSGJWFS-CYBMUJFWSA-N 436.434 2.075 0 40 IEAB CCOc1ccc(Br)cc1S(=O)(=O)NC(=O)[C@@H](NC(C)=O)C1CCCC1 59368800 YEXORNDMYJAMDM-INIZCTEOSA-N 447.351 2.348 0 40 IEAB O=C(COC[C@H]1CCCCO1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395613 JLBSVIKSQMQYPY-OWCLPIDISA-N 431.459 2.390 0 40 IEAB O=C(CNS(=O)(=O)CCSc1cnc2ccccc2n1)NCCc1ccccc1 89832377 AHUAVFAHHDCOFT-UHFFFAOYSA-N 430.555 2.000 0 40 IEAB COC(=O)c1cc(S(=O)(=O)N2CCC(N3CC=CC3)CC2)ccc1Br 101416574 QPHJTVGUHVDCFI-UHFFFAOYSA-N 429.336 2.261 0 40 IEAB CN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 206734892 PFRYVZVUAJHMFO-UHFFFAOYSA-N 431.440 2.199 0 40 IEAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)cc1 220491088 MPPUIJNBACYAKO-CYBMUJFWSA-N 448.476 2.355 0 40 IEAB COc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 222724025 ABBUFNJFTINEGG-GJZGRUSLSA-N 434.514 2.498 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)N4CCC(C(N)=O)CC4)ccc32)cc1 223069079 BFHMXRMAWQSKNE-UHFFFAOYSA-N 427.526 2.084 0 40 IEAB O=C(NCc1nc(-c2ccccc2)no1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225514798 VXIWLAXYNAIKSR-KRWDZBQOSA-N 426.498 2.454 0 40 IEAB CC1(C(=O)N2CCC[C@@](C(N)=O)(c3ccccn3)C2)CCN(C(=O)c2ccccc2)CC1 257237073 HFBATUQIKYNARP-VWLOTQADSA-N 434.540 2.370 0 40 IEAB Cn1nccc1CCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(N)=O)C1 257249811 JJVWJZMNAXMDRO-KSSFIOAISA-N 449.349 2.287 0 40 IEAB CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3cccnc3OC)CC1)COC2 306125486 CSGUCSLYQBCWMX-MRXNPFEDSA-N 428.537 2.023 0 40 IEAB CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(C(=O)c3csc(C)n3)CC1)COC2 306139158 SQVWOOLSQTZXDZ-CYBMUJFWSA-N 432.550 2.024 0 40 IEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1Oc2ccccc2O[C@@H]1C 511002949 WEJJITYCMQYIFT-KFVVBQDRSA-N 440.496 2.360 0 40 IEAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 585502426 UAMRPKRPUGJGTN-UHFFFAOYSA-N 432.406 2.395 0 40 IEAB CCOc1ccccc1C(=O)N1CCC2(CCCCOCCNC(=O)[C@H](C)NC2=O)CC1 643564794 GICXLBVGAUMHPF-SFHVURJKSA-N 445.560 2.129 0 40 IEAB CCOc1ccc(CN2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)cc1 643566764 YNMPHLKMWJMHQI-IBGZPJMESA-N 431.577 2.489 0 40 IEAB O=C(c1cncnc1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643578892 KMHNJHOHKSTCHN-UHFFFAOYSA-N 438.528 2.396 0 40 IEAB COc1c2c(c(Br)c3c1[C@@H](CC(=O)NCCCN(C)C)N(C)CC3)OCO2 1547138548 NBTVLJKJEBWJJO-CYBMUJFWSA-N 442.354 2.173 0 40 IEAB biogenic COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2N)cc1OC 2415024 MGWJHXUPKWTPOH-UHFFFAOYSA-N 429.458 2.136 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 2629509 HHLDPJUWUNCYIG-UHFFFAOYSA-N 430.404 2.474 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cccnc2Cl)c1 3404110 YIEUBUUHQYZAKS-UHFFFAOYSA-N 432.285 2.434 0 40 IEAB CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N 3565355 CIFYQUWRVFGZME-UHFFFAOYSA-N 428.465 2.224 0 40 IEAB COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2C)cc1 8755097 ZAJLTVPVBAXTQX-CYBMUJFWSA-N 427.548 2.166 0 40 IEAB O=C(O)c1ccc(S(=O)(=O)N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1 8850723 IRUBALPLJGEBGQ-UHFFFAOYSA-N 444.538 2.389 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccncc1 8974851 QTMMURJTPFNNKQ-GGNOIXCSSA-N 438.553 2.499 0 40 IEAB COc1ccc(C(c2c(O)cc(C)n(C)c2=O)c2c(O)cc(C)n(C)c2=O)cc1OC 9189915 RKPLQPOTCOOVLL-UHFFFAOYSA-N 426.469 2.309 0 40 IEAB CCn1c(=O)n(CC(=O)NCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 9409518 LNCVZSSRHANAST-UHFFFAOYSA-N 427.526 2.412 0 40 IEAB CC(C)CCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C 9463556 DQRFHFUMLKYNCW-UHFFFAOYSA-N 444.967 2.460 0 40 IEAB NC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1 9508574 UKUGQDKLPQLTPS-GFCCVEGCSA-N 444.538 2.467 0 40 IEAB Cc1ccc(N2C(=O)N(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)C(=O)[C@H]2C)cc1 9613814 MDIYSKWELPEIKA-VQIMIIECSA-N 447.557 2.110 0 40 IEAB COc1ccc(CCC(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1OC 11679727 YBINROHWFHZANQ-UHFFFAOYSA-N 429.469 2.310 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3cccnc3)cc2)cc1 12324812 YSBJPYMVJXHCSD-UHFFFAOYSA-N 438.509 2.449 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 13117285 VXMGFOJPPGFDJM-KOSHJBKYSA-N 435.480 2.419 0 40 IEAB C[C@@H](NC(=O)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1)C(=O)O 13548275 RZVSRXZQGHHOQZ-WNYOCNMUSA-N 443.931 2.234 0 40 IEAB CC(C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1)C(=O)O 13624169 RSBSMAQWXADQET-RISCZKNCSA-N 426.520 2.039 0 40 IEAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCC1=CCCCC1 13725562 ZDMCOXHWUZFQNH-UHFFFAOYSA-N 442.559 2.321 0 40 IEAB COc1ccc(C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccccn3)CC2)cc1 16637880 NVSCLYTWWWPXEU-LJQANCHMSA-N 428.558 2.291 0 40 IEAB C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 16695001 IURCCSCEFQMODC-KOSHJBKYSA-N 435.480 2.462 0 40 IEAB COc1cccc(OCc2nnc(SCC(=O)N[C@H]3CCOc4ccccc43)n2N)c1 19353825 PZJCYOVUVXBKLQ-KRWDZBQOSA-N 441.513 2.312 0 40 IEAB CCCN1CCN(C(=O)Cn2cncn2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19502920 AOCCCAOHIPQSPG-JOCHJYFZSA-N 432.528 2.280 0 40 IEAB COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1 19589830 ALZKOURJENTIBB-NRFANRHFSA-N 437.548 2.365 0 40 IEAB Cn1nc(C(=O)N2CCO[C@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)ccc1=O 19693383 JIYOTVFWOOFPNY-INIZCTEOSA-N 445.401 2.470 0 40 IEAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)NC(N2CCN(Cc3ccccc3)CC2)=N1 26816121 URNSBLCZGLACMD-LJQANCHMSA-N 425.920 2.341 0 40 IEAB COc1ccc(NC(=O)C[S@](=O)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 35311226 QJCOIMJQVKFJJS-WJOKGBTCSA-N 443.569 2.348 0 40 IEAB CCN(Cc1nnc(Cc2ccccc2)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 62587282 VUISEYHQHOYQBR-UHFFFAOYSA-N 432.484 2.167 0 40 IEAB Cc1c([C@H]2C[C@H](C(=O)Nc3c(Cl)cccc3Cl)N(C)S(=O)(=O)N2)cnn1C 72335067 IHSHKDBZMIFZKA-ZIAGYGMSSA-N 432.333 2.254 0 40 IEAB COc1ccccc1Cc1noc(C2CN(CC(=O)NCc3ccc4c(c3)OCO4)C2)n1 77191364 LAWWGAHATAVVDH-UHFFFAOYSA-N 436.468 2.113 0 40 IEAB O=C1c2ccccc2N2C(=O)CC[C@]2(C(=O)NC[C@H](O)C(F)(F)F)N1Cc1ccccc1 95939822 UHPCKGZASBWLLC-UWJYYQICSA-N 447.413 2.205 0 40 IEAB COc1cc(N(CC(=O)O)S(=O)(=O)c2ccc3c(c2)OCCO3)c(OC)cc1Cl 224846096 SOWAXLXGTVERKP-UHFFFAOYSA-N 443.861 2.408 0 40 IEAB Cc1ccc(C(=O)N2CCN(C)C[C@](O)(Cn3cccn3)C2)cc1NCc1ccccn1 257246613 IUWLNWYHKVZNCC-XMMPIXPASA-N 434.544 2.018 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)NCC2(c3ccccc3)CCOCC2)Oc2ccccc21 260767546 NJOFYTDGCKRERJ-OAQYLSRUSA-N 444.553 2.468 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 260842930 ZCSOFMPJTFMURB-CABCVRRESA-N 434.514 2.498 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 408596846 SPDIOQQITBRAID-NSHDSACASA-N 425.894 2.143 0 40 IEAB C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1 408614841 ITLZUAZIVCFWSL-LSDHHAIUSA-N 445.903 2.207 0 40 IEAB Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 408656698 OAHQFHLZGSPVPU-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H]1c1ccccc1OC 6354042 RLUVCVKYRFJPNQ-ITICKHJUSA-N 435.505 2.202 0 40 IEAB COc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4cccc(F)c4)cnc32)cc1 9016709 QSNLDJSULDYSPW-UHFFFAOYSA-N 435.459 2.148 0 40 IEAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1nnc2ccccn12 9764535 PRCPCUXCXFPMGL-UHFFFAOYSA-N 435.509 2.237 0 40 IEAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1 11162521 ZWHSFOGNYUMRSF-UHFFFAOYSA-N 427.409 2.389 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)Nc1cc(F)cc(F)c1 11188018 DCBFFHXFDBLEAO-SFHVURJKSA-N 438.452 2.223 0 40 IEAB Cc1nn(CC(=O)N2CCN(c3ccccc3)CC2)c(=O)c2c1cnn2-c1ccc(F)cc1 12228215 VNDMTZKUMJUSFJ-UHFFFAOYSA-N 446.486 2.379 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)c1ccc(Cl)cc1 12422826 OMPJLDJDLMNVIO-UHFFFAOYSA-N 435.977 2.260 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 12748438 QEIGATNQPMJSGM-UHFFFAOYSA-N 429.542 2.035 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)CC1 13716777 ANJXCBCWLQVVIM-UHFFFAOYSA-N 435.571 2.217 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)ccc1Cl 15469832 ZRXSLEIQYBSDIY-UHFFFAOYSA-N 449.838 2.376 0 40 IEAB COc1ccc2c(c1)c(-c1nc(N(C)C)ncc1CNC(=O)c1ccn(C)c(=O)c1)cn2C 19290845 SMVXGYFYDOQLSS-UHFFFAOYSA-N 446.511 2.339 0 40 IEAB CC(C)n1cc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)cn1 19454962 KXYCYCRRAMCWCX-HXUWFJFHSA-N 436.516 2.098 0 40 IEAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2ccc(OC)c(CO)c2)C3)c(OC)n1 19559274 VMNAIIQVYVGNFO-NHJWOMDBSA-N 429.517 2.114 0 40 IEAB COCCN1CCN(C(=O)c2sc3ccccc3c2[C@@H]2CN(C(C)=O)CCO2)CC1 19696878 OMPJMYGEMGFMSO-SFHVURJKSA-N 431.558 2.225 0 40 IEAB COCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(Cc4ccc(OC)cc4)CC3)nc21 19743251 GVDLSEDSTVAUHV-UHFFFAOYSA-N 438.528 2.130 0 40 IEAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccn3)[C@H](O)[C@H]2[C@@H]1C 20466813 UONWEASBIGJGCX-JZCCEULGSA-N 431.577 2.288 0 40 IEAB biogenic,in-vitro O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1cccc(Cl)c1 21264333 VMHAUUIGJHQNKU-UHFFFAOYSA-N 448.976 2.448 0 40 IEAB Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(S(N)(=O)=O)c1C 23864796 XIUSWBXUVRYESQ-UHFFFAOYSA-N 442.463 2.327 0 40 IEAB Nc1nc(Cl)cc(N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n1 24056569 AEJTXESZSDGABK-UHFFFAOYSA-N 430.818 2.372 0 40 IEAB CC(=O)Nc1cccc(NC(=O)c2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c1 32092409 DOLPTRMGMRQPTO-GOSISDBHSA-N 430.486 2.206 0 40 IEAB COc1ccc(Cl)cc1N1C[C@H](C(=O)O[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1=O 35271258 XSMUIGUQAKVJGK-KBUPBQIOSA-N 438.908 2.269 0 40 IEAB CC(C)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 36014820 GOSGLWVFCXNDKI-UHFFFAOYSA-N 441.903 2.437 0 40 IEAB CCOc1cc(Br)c(CC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1OCC 39980515 GSMKDQLTYBWTDI-KRWDZBQOSA-N 434.352 2.482 0 40 IEAB CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1cccc(F)c1 40047578 UJGGMFBMYXGHNZ-CTNGQTDRSA-N 449.548 2.316 0 40 IEAB CCCCN(C)c1ncc(Cl)c(C(=O)NCCNS(=O)(=O)Cc2ccccc2)n1 48333829 MEVRGMFRLJYNPW-UHFFFAOYSA-N 439.969 2.216 0 40 IEAB COC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@@H]1c1cccs1 57415960 SJEUHJJQNNDBQY-HXUWFJFHSA-N 442.541 2.360 0 40 IEAB C[C@@H]1CN(C(=O)c2ccc(NCc3nnc4n(C)c(=O)c5ccccc5n34)cc2)C[C@@H](C)O1 71987195 ODOZCRQUSVOLPT-HZPDHXFCSA-N 446.511 2.443 0 40 IEAB COc1ccc(CN2C(=O)CO[C@H](c3ccc(NC(=O)c4cnccn4)cc3)[C@H]2CO)cc1 72321346 UIWJVHLPTQLHMA-FYYLOGMGSA-N 448.479 2.199 0 40 IEAB biogenic,in-vitro O=C(c1ccsc1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96251339 KJBNKOHHXQQQDL-AVRDEDQJSA-N 425.558 2.423 0 40 IEAB CC(C)CN1Cc2c(C(=O)NCc3ccncc3)ncn2-c2ccccc2S1(=O)=O 101851939 UWSNCVNNNWMKHZ-UHFFFAOYSA-N 425.514 2.358 0 40 IEAB CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C1=O 108014358 IPAZCYNWLKDBIJ-NTEUORMPSA-N 441.303 2.353 0 40 IEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 138719321 OZDCSMYKIIIBDQ-OAHLLOKOSA-N 426.425 2.017 0 40 IEAB COC(=O)CN1C(=O)C(C)(C)c2cc(NS(=O)(=O)CCOc3ccccc3)ccc21 223446334 XLAKQJACNGFNPX-UHFFFAOYSA-N 432.498 2.305 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223537238 QOFAVFXRDZSVTO-SFHVURJKSA-N 431.558 2.169 0 40 IEAB Cc1ccc(C)c(OCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 224032228 YITAFVPHOGRBEH-UHFFFAOYSA-N 431.558 2.048 0 40 IEAB CCc1ccc(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224496291 VIZXNOOHDYREPD-UHFFFAOYSA-N 432.542 2.008 0 40 IEAB COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224832175 LVSJHEZBYBMOMY-UHFFFAOYSA-N 427.862 2.488 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)ccc21 225124020 HHSQKTVORFUOAX-UHFFFAOYSA-N 435.527 2.496 0 40 IEAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CC(n2cc(COc3ccccc3)nn2)C1 225629779 OQKRHBJVERTHGX-UHFFFAOYSA-N 436.497 2.288 0 40 IEAB Cc1ccc(CN(CC(=O)NCc2nc(-c3cccc(C)c3)no2)S(C)(=O)=O)cc1 225787782 PYRGYKSCHSZZIG-UHFFFAOYSA-N 428.514 2.431 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 245230173 MTXGZVVJWPJPOQ-BHQAQYLNSA-N 443.588 2.443 0 40 IEAB CCc1c(C(=O)N(C)[C@@H]2CC[C@@H](N3CCN(C(C)=O)CC3)[C@@H]2O)[nH]c2ccc(C)cc12 257263962 LSGRYHKPBMFEHD-MQSCRBSSSA-N 426.561 2.167 0 40 IEAB CC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)cc1 9518229 HGQGTLUBYHMSRM-UHFFFAOYSA-N 427.442 2.131 0 40 IEAB CN(Cc1ccc2c(c1)OCO2)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 9822029 FFAZFOJUUWIBNZ-UHFFFAOYSA-N 441.509 2.235 0 40 IEAB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)NCc1ccc2c(c1)OCO2 10255301 FDFFSAVZTFWPJP-HNNXBMFYSA-N 443.525 2.048 0 40 IEAB COc1cc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc(OC)n1 11765575 MXDNTPQNSIXUMC-UHFFFAOYSA-N 433.317 2.312 0 40 IEAB Cc1nnc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)s1 12233248 WSBXUDNEXHQPTH-GFCCVEGCSA-N 425.499 2.418 0 40 IEAB C[C@@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)cc2NC1=O 13002746 SMVXRKRTPOZIBS-ZDUSSCGKSA-N 449.529 2.405 0 40 IEAB CC(C)OC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 13039149 AYBACVRTSMFASM-UHFFFAOYSA-N 445.541 2.197 0 40 IEAB Cc1cc(-c2cc(O)nnc2C2CCN(C(=O)Cn3ncc4ccccc4c3=O)CC2)on1 13226319 YSVGDHSOZCQCDI-UHFFFAOYSA-N 446.467 2.262 0 40 IEAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)C1)N2 19127614 CJBZOOYMCMBOMK-CBBWQLFWSA-N 434.484 2.152 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@@H](C)Cn3cccn3)[nH]c2=O)C1 19501637 YQLQUQWGEMRATA-QFBILLFUSA-N 440.548 2.041 0 40 IEAB O=C(c1ccccn1)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19696345 HICBETOKFVQQTA-KRWDZBQOSA-N 438.509 2.377 0 40 IEAB Cc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)ncc1C(=O)N1CCOCC1 19751991 GZOVUQYMCOWSRO-UHFFFAOYSA-N 426.492 2.345 0 40 IEAB O=C(Nc1ccc(F)cc1)c1cncnc1CC1CCN(C(=O)CN2CCCC2=O)CC1 19756968 WATYLCLYHDABQL-UHFFFAOYSA-N 439.491 2.272 0 40 IEAB CN1CCN(c2ccc(Cl)cc2NC(=O)CN(C)S(=O)(=O)c2cccs2)CC1 20815831 HMNXCEFRXSCORD-UHFFFAOYSA-N 442.994 2.413 0 40 IEAB CCN1CCN(C(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 22233747 RTVJCWMIMUETTP-UHFFFAOYSA-N 449.548 2.335 0 40 IEAB Cc1ccccc1CN1CCN(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 22792789 HEFBZLIAMHKPPH-UHFFFAOYSA-N 426.542 2.165 0 40 IEAB Cc1cc(C(=O)NCCCN2CCN(C)CC2)ccc1NS(=O)(=O)c1ccccc1 22933332 MBYYVSQZKMEAIG-UHFFFAOYSA-N 430.574 2.163 0 40 IEAB CS(=O)(=O)N1CCN(C(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)CC1 23136881 OFBNUTRBEUBPIU-UHFFFAOYSA-N 432.474 2.206 0 40 IEAB C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 25703805 FHHNYLFZGZLPJQ-CHWSQXEVSA-N 432.502 2.095 0 40 IEAB C[C@@H]1NC(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)=NN(c2ccccc2)C1=O 32714791 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S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1CCN1CCOCC1 223134503 TXGIRZJFADEZMU-YUXAGFNASA-N 441.601 2.367 0 40 IEAB COc1ccc(-c2nnc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)cc3)s2)cc1 225858267 UVZLNTRGGJWRRD-UHFFFAOYSA-N 448.526 2.482 0 40 IEAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccccn1 306123579 AQRWHWFOWGMHBA-WOJBJXKFSA-N 440.500 2.452 0 40 IEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c(C)c1 408614351 BFBKVKFQTQTQAE-ROUUACIJSA-N 439.512 2.171 0 40 IEAB C[C@]1(c2ccc(CNC(=O)N3CCO[C@]4(CCc5ccccc54)C3)cc2)NC(=O)NC1=O 512109125 ZOCVUUWZOWTXEV-DNQXCXABSA-N 434.496 2.125 0 40 IEAB C[C@H](C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O)N1C(=O)NC2(CCCC2)C1=O 521927650 PXMJSLRGEPTEOK-CJNGLKHVSA-N 432.908 2.157 0 40 IEAB CCCOc1ccccc1/C=c1\sc2nc(=O)c(Cc3ccc(OC)cc3)nn2c1=O 2253207 RGLNTZXJAYOTRE-ZHZULCJRSA-N 435.505 2.447 0 40 IEAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCN(c2ccccc2)CC1 2710167 XPYLOOHGOCSQMF-UHFFFAOYSA-N 449.960 2.323 0 40 IEAB COc1ccc(/C=c2\sc3nnc(-c4ccc(OC)c(OC)c4)n3c2=O)c(OC)c1 3639112 KWSFGHXWQOOQKM-ZDLGFXPLSA-N 425.466 2.400 0 40 IEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)Nc1sccc1C(N)=O 8882206 RVEIYQMKYPRLHP-HNNXBMFYSA-N 439.440 2.062 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2cnc(C)cn2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 9644397 KNBZOVIQRJAEBC-QGZVFWFLSA-N 430.848 2.467 0 40 IEAB COc1ccc(N[C@H]2Sc3ccccc3NC2=O)cc1S(=O)(=O)N1CCOCC1 9767737 RKVAXDGOKVKJIC-IBGZPJMESA-N 435.527 2.199 0 40 IEAB Nc1nc(N)nc(SCC(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)n1 9877719 MASRXQQKOZCXNN-UHFFFAOYSA-N 430.515 2.194 0 40 IEAB CCOc1ccc(C(C)=O)cc1COC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21 9988125 JGBNDZBFLADNSK-CYBMUJFWSA-N 430.482 2.458 0 40 IEAB CCOC(=O)c1c(C)oc2nc(COC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)nc(N)c12 11396549 NIDILSNGCXWQCL-GFCCVEGCSA-N 430.461 2.124 0 40 IEAB Cc1ccccc1CN(C)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12793923 ZKBPNDDGFLWGQK-UHFFFAOYSA-N 433.549 2.489 0 40 IEAB Cn1ncc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c(Cl)c1=O 12973671 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COc1ccccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 61939543 DYBWJMGVBSBZLS-UHFFFAOYSA-N 431.514 2.125 0 40 IEAB O=C(Cn1nc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n2c1=O)NC1CCCCC1 64580750 CRASFGPADGNDSZ-UHFFFAOYSA-N 449.486 2.447 0 40 IEAB CCCNC(=O)c1cn(CC)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 67338440 FTYGGXMLNFIXGD-UHFFFAOYSA-N 433.578 2.171 0 40 IEAB CCCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351903 KUFCCZSQEOTFGJ-FGZHOGPDSA-N 434.540 2.219 0 40 IEAB COC(=O)c1cn([C@@H]2CCN(C(=O)Cc3c(C)nn(-c4ccc(F)cc4F)c3C)C2)nn1 95940534 WIVSBTKLXFSMKU-OAHLLOKOSA-N 444.442 2.162 0 40 IEAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 95949424 REAZZXJHCAYFSL-ZWKOTPCHSA-N 446.429 2.205 0 40 IEAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 100430853 MTXGZVVJWPJPOQ-QNFRPBLGSA-N 443.588 2.443 0 40 IEAB COc1cc(OC)cc(N2C(=O)[C@@H]3[C@@H](N=NN3Cc3nc(-c4ccccc4)no3)C2=O)c1 101311493 BLSIYFGHEHLTRV-MSOLQXFVSA-N 434.412 2.247 0 40 IEAB O=C(O)[C@@H]1N[C@H](c2ccc(Br)cc2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 101352923 GRUXGZCIDYZYPP-QKPAOTATSA-N 433.233 2.492 0 40 IEAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1 223612524 PPLLHIJOFQDVBS-UHFFFAOYSA-N 427.891 2.272 0 40 IEAB CCCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O 248207912 BXVDQRDBKKLZOL-ROYATCLZSA-N 432.318 2.476 0 40 IEAB C[C@H](NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)[C@@H]1C[C@H]2CC[C@H]1C2 248376798 DQNNAAADSOMJLZ-RHHODLSESA-N 425.529 2.459 0 40 IEAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@](O)(c2ccoc2)c2cccs2)c1 253473553 WJDQKXFDUNBORZ-LJQANCHMSA-N 437.495 2.351 0 40 IEAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 409345267 KPJBXEYEQOMYMV-UHFFFAOYSA-N 443.460 2.313 0 40 IEAB Cc1ccc2nc([C@H]3CCCN(C(=O)C4CCN(c5ccc6nnnn6n5)CC4)C3)[nH]c2c1 508238719 RPVOWQXPQQWMEC-KRWDZBQOSA-N 445.531 2.327 0 40 IEAB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)cc1 677600516 JHBLAGWEVRVMEZ-TXEJJXNPSA-N 432.329 2.369 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C)CC2)C12CN(Cc1cccn1C)C2 1549166633 HCKQYRWTNJDXTM-HSZRJFAPSA-N 449.599 2.002 0 40 IEAB CC(C)NC(=O)N1CCN2CC(=O)Nc3cc(-c4cccnc4F)ccc3OC[C@H]2C1 1772594840 ZXYVKYFGQDDEFF-MRXNPFEDSA-N 427.480 2.323 0 40 IEAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cc(F)cc(F)c5)C[C@@H]4C3)ncnc21 2087067399 GOIPHBOYHXNAAA-GJZGRUSLSA-N 448.499 2.022 0 40 IEAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n(C)c3nc2n1CCN(C)C 9060006 WNJMDJUSXQJJLS-UHFFFAOYSA-N 449.342 2.375 0 40 IEAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cnc4sccn4c3=O)cc2)c1C 9381282 FSCUWGDMKUVWDO-UHFFFAOYSA-N 445.482 2.414 0 40 IEAB COc1ccc(C(=O)N[C@@]2(C(F)(F)F)N=C(O)N(Cc3cccnc3)C2=O)cc1OC 9423028 DGBGVCJYXWULIL-GOSISDBHSA-N 438.362 2.044 0 40 IEAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C 9477332 SEDKDIFHBRPSBC-LBPRGKRZSA-N 448.526 2.397 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4)[C@H]3C2=O)cc1OC 9675557 QXTDQFHPEQLLPL-ZWKOTPCHSA-N 443.847 2.289 0 40 IEAB Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3Cc2ccc(F)cc2)n(C)c1=O 9707550 SDAQNUHWCGGENO-UHFFFAOYSA-N 436.422 2.136 0 40 IEAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC[C@@H](C)c2ccccc2)cc1 9794326 XTKGNSQKOPKBNB-QFQMRYFISA-N 430.526 2.348 0 40 IEAB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccncc1 9805581 PCNJLMJVNYNFNH-LDADJPATSA-N 426.498 2.384 0 40 IEAB O=C(CSc1ncc(CO)n1CC(=O)NC1CC1)Nc1cccc(C(F)(F)F)c1 9827486 QOXWOHMVPUOVPG-UHFFFAOYSA-N 428.436 2.404 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)cc1 9875571 UTLVFSOTWAAROC-INIZCTEOSA-N 442.541 2.304 0 40 IEAB CCn1nc(CC(=O)N2CCC[C@]3(C2)NC(=O)c2ccccc2N3)c2ccccc2c1=O 12089266 VXMIDCRTDUMOSE-XMMPIXPASA-N 431.496 2.133 0 40 IEAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1=O 12164904 GYSJTMZPCZNLQG-HNNXBMFYSA-N 443.525 2.436 0 40 IEAB Cc1cc(C)n2c(SCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)nnc2n1 12614206 IOOCCNNLEJIVHL-UHFFFAOYSA-N 434.547 2.031 0 40 IEAB O=C(c1ccco1)N1CCC[C@H](C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1 12999022 RPOVZJXMSJFMQJ-KRWDZBQOSA-N 445.541 2.101 0 40 IEAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1ccc(S(N)(=O)=O)cc1 14375790 AZTVKZXEIAOKPR-UHFFFAOYSA-N 434.543 2.003 0 40 IEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1cc(F)cc2c1OCOC2 14678510 PTXBJYJMZIUCHK-QFIPXVFZSA-N 426.400 2.344 0 40 IEAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC(F)F)cc1S(N)(=O)=O 16950383 OHKAKVDESQWQNU-SNVBAGLBSA-N 444.412 2.128 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1CN1CCOCC1 21934919 JRIVXKUMTHVIKR-QFIPXVFZSA-N 445.585 2.138 0 40 IEAB COc1cc(CNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc(OC)c1OC 22330524 BROAJBZQFISKNV-UHFFFAOYSA-N 442.921 2.448 0 40 IEAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)C1 25898445 RHUIIZXVSYHZQY-GOSISDBHSA-N 429.542 2.269 0 40 IEAB CCCn1c(=O)n(CCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)c2ccccc21 32760704 LEVLOWPLZMGNDN-INIZCTEOSA-N 445.545 2.106 0 40 IEAB CC(=O)c1cccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)c1 40478098 KUIURDKDLJTJPX-UHFFFAOYSA-N 438.394 2.156 0 40 IEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)OCCNC(=O)CCc1ccc(C)cc1)C2=O 58246686 DCEYAKWBODTSBE-UHFFFAOYSA-N 443.544 2.478 0 40 IEAB COc1ccc2nc(CN3CCN(CC(=O)Nc4ccc5c(c4)OCCO5)CC3)[nH]c2c1 70655580 HCPAWYSHRZKTIG-UHFFFAOYSA-N 437.500 2.099 0 40 IEAB COCCNC(=O)c1nnn(-c2ccc(NC(=O)CCSc3ccccc3)cc2)n1 71002557 BBVVPANISXTDEF-UHFFFAOYSA-N 426.502 2.159 0 40 IEAB CCS(=O)(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2cccc(OC)c2)C(=O)C3)CC1 72371948 GECHNLDGUJMTLR-UHFFFAOYSA-N 444.557 2.412 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2-c2ccc(C)nn2)c1 89969040 PUVZBYVUUKDRNF-UHFFFAOYSA-N 432.481 2.393 0 40 IEAB C[C@H]1CN(CC(=O)NCC(=O)N2CCCC2)c2ccccc2CN1C(=O)OC(C)(C)C 95441411 VAOVLQUKBXRSKV-KRWDZBQOSA-N 430.549 2.371 0 40 IEAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 100280297 JMCAWSJJLJRQOM-MUGJNUQGSA-N 442.493 2.255 0 40 IEAB CCOc1cc2c(cc1CN1[C@@H]3CC[C@@H]1CC(O)(Cn1nc(C)ccc1=O)C3)OCO2 100727658 RTNUJIFDUQMHNW-QZTJIDSGSA-N 427.501 2.237 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222572887 KFAVZHKGSQNHMG-JCGIZDLHSA-N 431.920 2.144 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223606718 HVJDQSHXKSEMNU-GOSISDBHSA-N 431.558 2.314 0 40 IEAB Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl 224193520 WKXUVXALLVWFKJ-UHFFFAOYSA-N 438.933 2.478 0 40 IEAB Cc1ccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1C 224713730 TXHIFFBBUHJAPW-UHFFFAOYSA-N 445.585 2.218 0 40 IEAB Cn1nccc1C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 257202363 ALKXWIQWHPGMHW-JXFKEZNVSA-N 446.935 2.232 0 40 IEAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(S(=O)(=O)c1ccc(C)c(C)c1)CC2 257219962 DIZOYGQJOCDCKA-KRWDZBQOSA-N 443.573 2.218 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)c3c(C(C)C)noc3C)C2)nc2c1CN(C(C)=O)CC2 257250553 JMZKBNKPYXYMTP-HNNXBMFYSA-N 426.521 2.472 0 40 IEAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1 408611549 XLAIBEGDUPGHDI-MRXNPFEDSA-N 434.514 2.431 0 40 IEAB COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)sc2c1CCC2 408625517 VKQKIZLFRDHCCG-UHFFFAOYSA-N 438.527 2.437 0 40 IEAB CCCN1C(=O)N/C(=C/c2ccc(OCC(=O)O)c(I)c2)C1=O 409242773 YGLSQULQDCFHFW-YRNVUSSQSA-N 430.198 2.057 0 40 IEAB Cc1oc(S(N)(=O)=O)cc1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 553406641 HUQFDGQCBCAFPY-UHFFFAOYSA-N 437.481 2.413 0 40 IEAB COc1c(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)oc2ccccc12 1638949839 DKAKMZFSODQLRU-YJBOKZPZSA-N 426.444 2.401 0 40 IEAB O=C(COC(=O)CNC(=O)c1ccc2c(c1)OCO2)Nc1ncc(Cl)cc1Cl 3288596 IPLWUFVWCJKWRS-UHFFFAOYSA-N 426.212 2.029 0 40 IEAB COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1 4111134 JVEUALCTMDNWAB-HNNXBMFYSA-N 447.484 2.404 0 40 IEAB CCCCN(C(=O)CSc1nc(C)cs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 7195884 SSIMGXVXJJLQJA-UHFFFAOYSA-N 425.580 2.465 0 40 IEAB CCOC(=O)c1cc(NCc2ccc(OCC(N)=O)c(OC)c2)ccc1N1CCOCC1 8723276 LEISWBICZWOBQV-UHFFFAOYSA-N 443.500 2.185 0 40 IEAB Cc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1Cl 8739813 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IEAB O=C([C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCCO3)c2ccccc2O1)N1CCOCC1 12995975 AWZAXEBJFMHFTO-IMAOXBOFSA-N 436.464 2.124 0 40 IEAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 18214037 RHZPRFOFYZAARV-UHFFFAOYSA-N 443.569 2.233 0 40 IEAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@@H](C)CN3CCOCC3)CC1)N2 19128342 JJWQLALXDWHPND-JCGIZDLHSA-N 425.524 2.389 0 40 IEAB CCn1nc(C)c(CCC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C 19523808 UVVVBDHJJOINFH-QFIPXVFZSA-N 445.589 2.421 0 40 IEAB NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20486965 JRUGGCUAJYHVJE-GOSISDBHSA-N 429.542 2.399 0 40 IEAB COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)N2CCc3ccccc32)s1 21011278 SRORFKDLCPONAP-UHFFFAOYSA-N 430.515 2.214 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(C)CC1)c1cccc(C)c1 25767225 FZQDUYFRFYJDKF-UHFFFAOYSA-N 431.558 2.281 0 40 IEAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(C)c3cc12 26771712 WECPSRWFLYCZDL-MRXNPFEDSA-N 443.456 2.025 0 40 IEAB biogenic 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69297638 DEVSWMIBJHAJCU-GYKGCMEESA-N 439.493 2.481 0 40 IEAB COc1ccc2ccccc2c1CCC(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1 96104195 FYALOFRQETZNIK-UHFFFAOYSA-N 442.541 2.374 0 40 IEAB Cn1cc(CN2C[C@@H]3CN(C(=O)C4CCCC4)CCC[C@]3(C(=O)NCC3CC3)C2)cn1 96251464 HHPDPYXQPVYBNY-QPPBQGQZSA-N 427.593 2.177 0 40 IEAB COc1cccc(NC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4cnn(C)c4)CC3)O2)c1 96262968 UFGXOWQZXNCHDG-HXUWFJFHSA-N 436.516 2.154 0 40 IEAB COC(=O)c1ccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222670175 LREUKSDTUSQZTL-UHFFFAOYSA-N 448.497 2.429 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225208216 YMGAMFCNANMVEG-SFHVURJKSA-N 431.558 2.251 0 40 IEAB CS(=O)(=O)N(CCCC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(F)c(F)c1 225277055 UMQMLJMSFWNJBY-OAHLLOKOSA-N 440.468 2.467 0 40 IEAB CNC(=O)[C@H]1CN(C(=O)c2ccccc2Cn2ccnc2C)CCN1Cc1ccccc1 257245951 IRVCXNUGQCIWIX-HSZRJFAPSA-N 431.540 2.312 0 40 IEAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CCN2CCOCC2)CC1 257324433 WORIEGXEKVXOGY-MXVIHJGJSA-N 445.608 2.379 0 40 IEAB O=c1c2cccnc2nc(O)n1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 390831201 QKQLXRDEDNHTQV-UHFFFAOYSA-N 440.525 2.402 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408664660 QUYIRWNQVXPWBT-BLMTYFJBSA-N 426.469 2.009 0 40 IEAB Cc1ccc(S(=O)(=O)N2Cc3ccnn3[C@H](CC(=O)NCc3ccccn3)C2)cc1 585095753 IDZIMBQVYKZJDR-LJQANCHMSA-N 425.514 2.039 0 40 IEAB C[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1)n1cncn1 620475814 UIISAUXLRLLUTE-OAHLLOKOSA-N 437.485 2.464 0 40 IEAB CCn1nc(C)c(CCC(=O)N2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)c1C 643586885 HUZDSKLVASDBEX-AZUAARDMSA-N 426.517 2.012 0 40 IEAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O 6190723 BITNSDDIECHEHD-FUHWJXTLSA-N 435.521 2.029 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)cc1 8764688 ZXPRRSWBQCPNJX-MTQWNXOMSA-N 434.492 2.349 0 40 IEAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@]4(CCOc5ccccc54)C3=O)n2)cc1 8779698 OWZAKNJLPYBUOW-QFIPXVFZSA-N 431.456 2.236 0 40 IEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 8965976 CFSHCFCFUNJSCY-LIRRHRJNSA-N 445.479 2.395 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(Br)c(C)c2)cc1S(N)(=O)=O 9490921 ZWLMSRLUAMSTKX-UHFFFAOYSA-N 435.321 2.214 0 40 IEAB Nc1nc(SCC(=O)NCCc2ccccc2)[nH]c(=O)c1NC(=O)c1ccccc1F 9518097 FWQCDCXOEZJSTF-UHFFFAOYSA-N 441.488 2.195 0 40 IEAB CCOc1ccc2c(c1)[C@]1(SC(NC(=O)CC)=NN1C(=O)CC)C(=O)N2C(=O)CC 9577292 ADZUYVNLXIQNHN-FQEVSTJZSA-N 432.502 2.304 0 40 IEAB CC[C@@H](C)n1c(C)c(C)n2c3c(=O)n(CC(=O)OCc4ccccc4)c(=O)n(C)c3nc12 10104294 FTBLMPHYVNZGKZ-CQSZACIVSA-N 437.500 2.481 0 40 IEAB O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)N1CCN(c2ccccc2)C(=O)C1 11998038 SISUJNHDNZQNGZ-UHFFFAOYSA-N 445.508 2.154 0 40 IEAB CCOCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 12232107 QTZCHZFNPUDICQ-UHFFFAOYSA-N 436.516 2.092 0 40 IEAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 12683421 NDZRXBHNYYYTOV-KDURUIRLSA-N 445.541 2.141 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(C)nn(C)c4s3)CC2)cc1 12919012 LIGUQSGNFQOUPL-UHFFFAOYSA-N 434.543 2.099 0 40 IEAB CC(C)CN(C(=O)CN(C)c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13057272 KOEOQOLLSYKVJF-UHFFFAOYSA-N 435.528 2.293 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cccs3)CC2)cc1 13096688 OWHHVZUQXUOGEW-GOSISDBHSA-N 447.582 2.194 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 15645150 VWZLUWURCYLOQC-LJQANCHMSA-N 426.502 2.153 0 40 IEAB O=C(C[C@H]1Oc2ccccc2NC1=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 16047239 ZNSCJXPNVGMVBZ-MRXNPFEDSA-N 425.466 2.468 0 40 IEAB COCCn1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc2C1 19593919 VBSZRWOKJYWBPJ-JOCHJYFZSA-N 446.511 2.317 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)CCC(N)=O)C2)nc2c1CC(=O)N2CCCc1ccccc1 19743773 GJAWDRAJKRDDSB-LJQANCHMSA-N 449.555 2.278 0 40 IEAB COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(C)CC2)n3C)cc1 20519411 PAKYZBCOKMKUME-UHFFFAOYSA-N 437.544 2.389 0 40 IEAB O=C(CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1)NC[C@@H]1CCCO1 23139836 GWNCDQWMDCVOIZ-INIZCTEOSA-N 437.566 2.391 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 28194506 STUXBJXCSDZHIW-INIZCTEOSA-N 430.530 2.412 0 40 IEAB O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCN(Cc2ccccc2F)CC1 40023641 AEXIMQHETOECOM-ISVJADKWSA-N 430.520 2.344 0 40 IEAB CN1CCC(N(C)C[C@H](NC(=O)CNC(=O)Cc2cccc(F)c2)c2ccccc2)CC1 58196272 BAHNYQQEUWFJRR-QHCPKHFHSA-N 440.563 2.368 0 40 IEAB O=C(CN1CCS[C@@H]2CCCC[C@@H]21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 79053485 MXOJQYUNUUOPDW-RBUKOAKNSA-N 439.603 2.006 0 40 IEAB CCc1ccc2c(c1)[C@]1(N[C@@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 105348037 ZUBIIHQUYPUKHA-VRZXOPLZSA-N 425.529 2.073 0 40 IEAB CCc1ccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 224553279 CRAOTMNPDMZZMG-UHFFFAOYSA-N 445.585 2.164 0 40 IEAB COc1cc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC 226036302 VZTZXRKIFHSQDZ-UHFFFAOYSA-N 440.493 2.131 0 40 IEAB CCN(CC(=O)NCCSc1ncn[nH]1)S(=O)(=O)c1cc(Cl)ccc1Cl 226054896 VXJBWMAJEZPRDQ-UHFFFAOYSA-N 438.362 2.031 0 40 IEAB Cc1ocnc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 257200651 AEGIOSGAXAWJQG-ICSRJNTNSA-N 426.517 2.057 0 40 IEAB COC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408636708 TZYDWOOTMNJCNG-GOSISDBHSA-N 434.558 2.388 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 409412345 UURHDTFDNMIDOU-UHFFFAOYSA-N 432.816 2.277 0 40 IEAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3c(C)noc3C)CC1)CC(=O)N2CC1CC1 1772596525 PMOYVRJDRJKXAB-UHFFFAOYSA-N 433.534 2.123 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c(=O)n(C)c1=O 2633842 FXZQPRHPAHULNT-UHFFFAOYSA-N 435.480 2.492 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c1 3228834 UCBMQRQGVHKGBE-UHFFFAOYSA-N 446.481 2.088 0 40 IEAB CC[C@@H](C)NC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O 4936269 APPRQSCMXIDLHY-QGZVFWFLSA-N 425.533 2.369 0 40 IEAB COc1cccc(/C=C(/C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c2ccccc2)c1 8882183 KJUYEMIXQQCOCM-ORTNRGLGSA-N 443.521 2.425 0 40 IEAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)nc(O)n(-c2ccccc2OC)c1=O 9014040 JKQFUBAPTJKCEZ-HXUWFJFHSA-N 434.452 2.377 0 40 IEAB biogenic CCCCN(C(=O)CSc1nc2ccccc2c2nc(C)nn12)[C@@H]1CCS(=O)(=O)C1 9256001 NNKOEXUCPPZJDP-OAHLLOKOSA-N 447.586 2.494 0 40 IEAB COC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C(=O)OC)c1C 9472534 XHIPTHPUQGGXAS-UHFFFAOYSA-N 440.499 2.132 0 40 IEAB O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ncccn2)CC1 9545414 GZCXKKPAYSOOEF-UHFFFAOYSA-N 449.536 2.190 0 40 IEAB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 9670240 IXVDSWFQJHMSMF-AWEZNQCLSA-N 445.522 2.061 0 40 IEAB CCOC(=O)CNC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1 9858558 XDWGWDWIPBRWHI-UHFFFAOYSA-N 431.493 2.107 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCCCO2 12675954 FIEYYOBUDHOKOB-UHFFFAOYSA-N 446.525 2.440 0 40 IEAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12894812 QJSBCYPVPVHSSY-HXUWFJFHSA-N 435.590 2.241 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@H](c1ccc3c(c1)OCCO3)C(C)C)C2=O 12895233 AQRUUMSLDWSHEG-BOBCHSRXSA-N 444.532 2.276 0 40 IEAB O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCN(Cc2ccccc2)CC1 13118013 YLVDSDSKDOGSKE-OAQYLSRUSA-N 443.569 2.102 0 40 IEAB O=C(CSc1nnnn1Cc1cccs1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13406978 IBQHLVJNENXWJW-MRXNPFEDSA-N 442.526 2.168 0 40 IEAB O=C(CN(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1)NCc1ccco1 13502855 JAKGVHNSHMIGRC-UHFFFAOYSA-N 445.472 2.047 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H](CC)N(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 13714299 VEWMHMPJVTYIBA-INIZCTEOSA-N 431.942 2.185 0 40 IEAB CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)[C@@H](C)CC)ccc12 15955496 BSVYXBFIVHCHTL-RCDICMHDSA-N 446.500 2.246 0 40 IEAB biogenic O=C(c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2)N1CCN(c2cccc(Cl)c2)CC1 16850972 DCSWXZURBNFMAD-KRWDZBQOSA-N 448.976 2.347 0 40 IEAB O=C(c1cnccn1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343648 OSQVHMQBJKBZCV-HNNXBMFYSA-N 436.541 2.200 0 40 IEAB COCCNC(=O)[C@@H]1CN(Cc2ccccc2OC)C[C@H]1c1ccnc(N2CCCC2)n1 19593508 SJIQEWYQGITAIR-WOJBJXKFSA-N 439.560 2.064 0 40 IEAB COCCn1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2OC)CC1 19593965 BEVUWAQWBQXOKS-NRFANRHFSA-N 426.496 2.379 0 40 IEAB C[C@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)c(N)n2)CC1 19765913 JQJFOANWNNQDEE-QGZVFWFLSA-N 443.592 2.011 0 40 IEAB COc1cccc(N2C[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2=O)c1 20018243 QNNHSZFZWKBLBB-GOSISDBHSA-N 437.496 2.121 0 40 IEAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)Nc1cc2c(cc1Br)OCCO2 22063386 IRAGVTOPTQXGME-INIZCTEOSA-N 446.301 2.071 0 40 IEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22799279 OPVPSXMOBXXEGW-OAQYLSRUSA-N 437.540 2.038 0 40 IEAB Cc1cccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCCC3)c1 22909134 SABBBLMQICIYPQ-UHFFFAOYSA-N 442.585 2.494 0 40 IEAB O=C(C[C@H]1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccc(F)cc1 23411669 NJVFQSXOJXRRGJ-FQEVSTJZSA-N 437.475 2.424 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2CCN(CCOc3ccc(OC)cc3)CC2)nc1 23818202 VONNQPQQAYYEBD-UHFFFAOYSA-N 448.589 2.322 0 40 IEAB CC(=O)Nc1ccc(NC(=O)Cn2cccc3c(=O)n(Cc4cccs4)c(=O)nc2-3)cc1 32616268 GDIWYPKCJJXSGR-UHFFFAOYSA-N 449.492 2.217 0 40 IEAB CCCCn1nnnc1COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 32741667 CXFYNPDDUJQBDA-UHFFFAOYSA-N 441.941 2.271 0 40 IEAB CCOC(=O)C1=C(CSc2ncnc3c2cnn3C)NC(=O)N[C@H]1c1ccc(C)o1 36397063 RGACDEJZCCMTDE-HNNXBMFYSA-N 428.474 2.228 0 40 IEAB CCOc1ccc(N2CN(CCCN3CCOCC3)Cn3c2nc(C)c(C)c3=O)cc1 38829992 FKUMXVDXUFTYMW-UHFFFAOYSA-N 427.549 2.350 0 40 IEAB Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCNS(=O)(=O)Cc1ccccc1 48286369 YJLUEDGMNZOKAZ-UHFFFAOYSA-N 444.532 2.407 0 40 IEAB O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)NCc1ccco1 61721174 VSIXWOVNWPNCFG-UHFFFAOYSA-N 427.892 2.133 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cc(C)ccc4C)[C@H]3C2=O)cc1OC 101169874 UAQWPEKOMDLDOH-WOJBJXKFSA-N 437.456 2.253 0 40 IEAB O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)CC1 102315572 GUDUKRWFEBJWIE-OBJOEFQTSA-N 433.521 2.473 0 40 IEAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCCN(CCc3ccncc3)CC2)c2ccccc21 110063137 XWANZSJJWHSIAK-QHCPKHFHSA-N 436.512 2.497 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCCC[C@@H]4C)nc(=O)c32)cc1 139089107 SRDYIHBEOOHXRS-BLLLJJGKSA-N 438.488 2.172 0 40 IEAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 215725470 PPGYBGMCMBBOTE-OAQYLSRUSA-N 435.480 2.130 0 40 IEAB CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 219014138 VZDGWOQPUKLGQO-LJQANCHMSA-N 438.571 2.287 0 40 IEAB COC(=O)C1CCN(C(=O)[C@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 220201986 VCZDFLSGZJZTMA-LBPRGKRZSA-N 436.452 2.272 0 40 IEAB CC[C@H](C(=O)NCCCN1CCOCC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220719571 BVLLYUMRQCVWCM-QGZVFWFLSA-N 431.986 2.032 0 40 IEAB COCCN1C[C@@]2(CCN(Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O 306133620 MRCNFMLZJGLNPE-QFIPXVFZSA-N 446.525 2.090 0 40 IEAB O=C(NCc1ccccc1)c1cn2c(nc1=O)[C@@]1(CCN(C(=O)c3ccsc3)C1)CC2 306143636 YHJBBHGCEIZERO-HSZRJFAPSA-N 434.521 2.422 0 40 IEAB O=C(O[C@@H]1C(=O)N(Cc2ccccn2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 409280401 KCACKUYJAWPKSQ-PMACEKPBSA-N 430.416 2.402 0 40 IEAB Cc1c(C(=O)Nc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)cnn1-c1ccc(O)nn1 556481866 UABDYWFMTPSPPY-JOCHJYFZSA-N 447.455 2.154 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cncnc3)CCO2)C1=O 643557569 UODJPGWDKLQBJA-XMMPIXPASA-N 438.528 2.342 0 40 IEAB COc1ccc2c(c1)CC[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc3ccccc31)C2 680057970 LZMLXWDRMNTCAK-KRWDZBQOSA-N 427.526 2.263 0 40 IEAB Cc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3c(C)noc3C)C2)n(-c2ccccc2)n1 2332241549 GHKPBJMPCYEWQD-CGTJXYLNSA-N 431.518 2.156 0 40 IEAB CCCN1C(=O)/C(=c2\sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)c2ccccc21 1775671 WYPQTROCTZQZGF-HNENSFHCSA-N 446.488 2.418 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1OC 2397067 QXZRZUSKDIPNLD-UHFFFAOYSA-N 443.485 2.178 0 40 IEAB COC(=O)c1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1 4112404 CZCYWGTVNNUEQB-ZQAYVECASA-N 434.485 2.416 0 40 IEAB biogenic COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 8918672 WTZMMBWLTCOSLL-DEOSSOPVSA-N 434.496 2.388 0 40 IEAB COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1 8927496 JGVKTIIJJUGLSB-OAHLLOKOSA-N 430.844 2.268 0 40 IEAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2cccc(O)c2)n1C 9426857 FPOHWZRCSQGRAU-UHFFFAOYSA-N 427.486 2.441 0 40 IEAB O=C(NCc1cccnc1)c1ccc(Cl)c(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 9529938 ASHVJCCEMJHJEP-HOTGVXAUSA-N 436.946 2.345 0 40 IEAB CCN(Cc1ccccc1)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 9562448 CBELBCLGDIBXQR-UHFFFAOYSA-N 446.525 2.382 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3cccc(OC)c3)CC2)C1=O 9728066 PTFQVSGHNZODCB-DEOSSOPVSA-N 436.512 2.201 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3S(C)(=O)=O)CC2)cc1 10337633 NIGVEKDSCLHQGR-UHFFFAOYSA-N 436.555 2.438 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 10544432 USTDNIDBPIGMSY-UHFFFAOYSA-N 445.969 2.495 0 40 IEAB COc1cc([C@@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)ccc1OCc1ccccc1 11859428 KKJFAMLSCUPRBL-JOCHJYFZSA-N 449.511 2.435 0 40 IEAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](c2cccn2C)N2CCCCCC2)cc1 11898798 XKZSJNHOHKMMCZ-FQEVSTJZSA-N 426.517 2.484 0 40 IEAB Cc1cc(=O)c(C(=O)NCCn2cncn2)c(CCc2ccccc2)n1C[C@@H]1CCCO1 11974971 NTUCHHYBRKDVBK-FQEVSTJZSA-N 435.528 2.142 0 40 IEAB O=C(CNC(=O)c1ccccc1)OCC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 12375915 CXSHXOJHSGHVAO-UHFFFAOYSA-N 439.556 2.073 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 12680902 WPZLYEHALZDPDY-UHFFFAOYSA-N 432.498 2.335 0 40 IEAB COc1cc(OC)c2[nH]c(C(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)CC3)cc2c1 12906204 PGBWEFHDPLGRNT-CALCHBBNSA-N 442.560 2.447 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cn3c(CO)nc4ccccc43)CC2)c(C)c1 13097617 YLTUQZGZPMWNMM-UHFFFAOYSA-N 428.558 2.418 0 40 IEAB COCCN(C(=O)CNC(=O)c1cccs1)[C@H](C(=O)NC1CCCC1)c1ccco1 13506088 OHXMTCLOKUOYKY-IBGZPJMESA-N 433.530 2.346 0 40 IEAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@H](C)c1ccccc1 13571634 BLWGJMPZMNJJEZ-RYRKJORJSA-N 437.496 2.193 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1cccc(Br)c1 14138865 BRSNELLEMAIGGD-UHFFFAOYSA-N 429.274 2.074 0 40 IEAB O=C(NCCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 15789601 BUGURCGORWRVBP-UHFFFAOYSA-N 426.897 2.473 0 40 IEAB Cc1ccc(=O)n(CC(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)CC2)n1 19130989 CMHNWYXAZPMFQX-CZUORRHYSA-N 438.454 2.462 0 40 IEAB CC(=O)NCc1ccc([C@H]2CN(C(=O)c3ccc(N(C)C)cc3)C[C@@H]2C(=O)N(C)C)cc1 19697905 SKRPINUWIKEGFX-PKTZIBPZSA-N 436.556 2.333 0 40 IEAB O=C(C1CCC1)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699321 ZJQJUOWHHWHHRO-UHFFFAOYSA-N 438.572 2.407 0 40 IEAB CNc1nc([C@@H]2CCCNC2)nc2c1CCN(C(=O)CN(C)Cc1ccc(OC)cc1)C2 19708824 OHMAHUGJCLEESG-GOSISDBHSA-N 438.576 2.011 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)COc1ccccc1F)CC2 19711387 RZNGCBWJSHBRMB-UHFFFAOYSA-N 441.507 2.347 0 40 IEAB CN(C)c1ccc(C(=O)N2CCO[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cc1 19759474 OADXSEDEOVMWPO-QHCPKHFHSA-N 448.523 2.237 0 40 IEAB CCOCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(C)c1 20009027 ABKXPDUHZCJFNF-HXUWFJFHSA-N 434.558 2.436 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2C)Oc2ccccc21 20107360 PWVYQPABOKMIRT-NRFANRHFSA-N 440.525 2.414 0 40 IEAB NC(=O)Nc1ccc(C(=O)OCC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 21437308 ZFWCANDHAKYNBO-UHFFFAOYSA-N 430.892 2.332 0 40 IEAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 23818277 DFXNFUZZXVDDFD-OAQYLSRUSA-N 431.533 2.323 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)c1 32859730 XXUGLEQYYNJWFF-UHFFFAOYSA-N 438.509 2.222 0 40 IEAB COCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCCc3ccccc32)cc1 32868723 QAHMWYUYCYOXTG-INIZCTEOSA-N 446.525 2.136 0 40 IEAB Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)nn2[C@@H]2CCS(=O)(=O)C2)cc1 33325573 LSWZHTAMIZACAR-GOSISDBHSA-N 445.541 2.197 0 40 IEAB Cc1cc(NC(=O)COc2coc(CN3CCN(c4ccc(F)cc4)CC3)cc2=O)no1 56949842 SKWKHUOBMMKGBZ-UHFFFAOYSA-N 442.447 2.415 0 40 IEAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccccc1OC 67287465 AKDRMDAMULOTAC-HXUWFJFHSA-N 445.516 2.141 0 40 IEAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cc(OC)c(OC)c(OC)c4)C[C@H]32)c(OC)n1 72392591 FGDHAENNCJWYRJ-XSSDXNQZSA-N 445.516 2.249 0 40 IEAB O=C(NCCN1CCOCC1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 72394545 FGHBSAKSZTZBGT-UHFFFAOYSA-N 435.471 2.408 0 40 IEAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cscn2)[C@H](CNC(=O)c2cscn2)C1 79019104 UVBNYLNLBZUZEV-GFCCVEGCSA-N 437.547 2.091 0 40 IEAB COc1cc(Br)c(S(=O)(=O)Nc2c(C)cccc2C(N)=O)cc1C(=O)O 89688854 WHOMXMXKBLNAGZ-UHFFFAOYSA-N 443.275 2.364 0 40 IEAB Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)ccc1F 96305782 YNGIBADUJRKYRT-UHFFFAOYSA-N 430.498 2.277 0 40 IEAB CCS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)C3[C@H]4CCCC[C@H]34)nc2C1 100238015 IHSMGNKKHVHFFU-MPGHIAIKSA-N 448.589 2.380 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)Cc1ccccc1 107868706 OKEUBOLNNOXVAO-IBGZPJMESA-N 432.542 2.490 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2c(OC)cccc2OC)cc1Cl 226047151 SAKVWPMZNPEBII-UHFFFAOYSA-N 442.921 2.303 0 40 IEAB CCc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC)S(C)(=O)=O 260574203 QHSQVEDRTWEOHR-GOSISDBHSA-N 445.585 2.487 0 40 IEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 408601014 DMFLPFKYTZCHLW-HNNXBMFYSA-N 437.949 2.364 0 40 IEAB COC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC 408620759 LRQYLLMJWFBNAZ-INIZCTEOSA-N 436.530 2.359 0 40 IEAB C[C@@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O 408621190 OOXOAJKTFXIHLH-WMZOPIPTSA-N 445.541 2.389 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1C 409361849 FFVXQUZSCJCSEM-UHFFFAOYSA-N 431.514 2.142 0 40 IEAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c(OC)c1 575425744 IDWHIXICPJODTD-INIZCTEOSA-N 425.528 2.082 0 40 IEAB OC1(CN2CCOC[C@](O)(COc3ccccc3)C2)CCN(c2ccccc2F)CC1 585286712 HXSNSPLKETWIQY-DEOSSOPVSA-N 430.520 2.299 0 40 IEAB CCn1c(O)nc2cc(C(=O)N[C@@H]3CCN(c4ccccc4Cl)C3=O)ccc2c1=O 599424056 YJEDJAMQGKPZAB-OAHLLOKOSA-N 426.860 2.311 0 40 IEAB CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 673873358 NQSJURZWKWYQKE-DENIHFKCSA-N 441.532 2.374 0 40 IEAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)CCc1nc2ccc(Cl)cc2[nH]1 2037880145 HTTPTGUDARKJQP-OAQYLSRUSA-N 428.924 2.429 0 40 IEAB CCOC(=O)C1CCN(C(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)CC1 2087083571 HJYQQEAAKWIYFR-UHFFFAOYSA-N 440.475 2.494 0 40 IEAB COc1ccc(CNC(=O)CN(C(=O)Cn2nnc(-c3cccs3)n2)C(C)(C)C)cc1 887733 LZAYYKDSFCOBSH-UHFFFAOYSA-N 442.545 2.354 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 2664820 WYBGWOMJIIOXMM-UHFFFAOYSA-N 431.514 2.381 0 40 IEAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O 3333469 PKJUEPMFPKOFRQ-FQEVSTJZSA-N 438.436 2.260 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O 8789515 ZSXAUMNXPAXHRB-PVAVHDDUSA-N 439.553 2.240 0 40 IEAB biogenic C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N(C)Cc1nc3ccccc3c(=O)[nH]1)C2=O 8965516 IZIYRWYHQVRMHC-PSLXWICFSA-N 439.516 2.018 0 40 IEAB COCCn1ccc2c(OCC(=O)NCCc3ccc(OC)c(OC)c3)cccc2c1=O 10166593 LBNDPODJELDUOI-UHFFFAOYSA-N 440.496 2.403 0 40 IEAB O=C(COC(=O)c1sccc1S(=O)(=O)NC1CC1)c1cccc(N2CCCC2=O)c1 10567573 POGHWZMTAAEJEK-UHFFFAOYSA-N 448.522 2.355 0 40 IEAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)Cn4nc(C)c5ccccc5c4=O)C3)cc2n1 12134596 BCXUBGSMHOHGQX-INIZCTEOSA-N 446.511 2.422 0 40 IEAB CCCOc1cc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nc(C)n1 12224757 NLVVMADGDJVRJA-UHFFFAOYSA-N 436.534 2.102 0 40 IEAB Cc1ccc(NC(=O)c2cnc(SCC(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1C 12236992 WJIDFEFYOGJOKU-MRXNPFEDSA-N 430.530 2.037 0 40 IEAB CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 12886602 FIRAKOBZCZTWHB-SGJCYKPQSA-N 447.557 2.155 0 40 IEAB biogenic O=c1oc(-c2ccc(F)cc2)nn1CN1CCC(NS(=O)(=O)c2ccccc2)CC1 12971928 WIOQRLRGXDHENK-UHFFFAOYSA-N 432.477 2.043 0 40 IEAB O=C(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)NCCc1c[nH]c2ccc(Cl)cc12 13570066 IXPMYJLAAHKLQA-UHFFFAOYSA-N 437.887 2.075 0 40 IEAB O=S(=O)(c1ccc(F)cc1)N1CCN(Cn2nc3n(c2=S)CCCCC3)CC1 14231803 PWCKBWOVKABQPA-UHFFFAOYSA-N 425.555 2.244 0 40 IEAB CCOc1ccc(N2C(=O)/C(=C\NNc3nc(=O)c(C)n[nH]3)c3ccccc3C2=O)cc1 17952378 INYMCNWNDJEWSG-PDGQHHTCSA-N 432.440 2.017 0 40 IEAB CCCN1CCN(C(=O)C2=NNC(=O)CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19502912 VFWAXYWOGMHCBB-OAQYLSRUSA-N 447.539 2.254 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)CCc3nc4ccccc4[nH]3)C2)ncc1C(=O)N1CCOCC1 19757658 PTHSVRICIAWNMD-KRWDZBQOSA-N 448.527 2.082 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1 22955167 VHHBXOQAZPCGKN-UHFFFAOYSA-N 433.530 2.345 0 40 IEAB COC(=O)C1=C(CSc2nc(N)cc(N)n2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 25043841 NJODRXVTWOFLJS-QGZVFWFLSA-N 426.502 2.089 0 40 IEAB CCc1cccc(C)c1NC(=O)Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2 32615345 QASJLWRIUFMMMY-UHFFFAOYSA-N 429.480 2.463 0 40 IEAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)N1C(=O)c2ccccc2C1=O 33532374 YYKNCTHBFAJYIE-AWEZNQCLSA-N 427.482 2.094 0 40 IEAB Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(C)(=O)=O 36757246 GNXDKJGPIAKRRO-QGZVFWFLSA-N 445.541 2.309 0 40 IEAB Cc1[nH]c(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)OC(C)C 48364218 MAXFPPQLGVBSNI-CVEARBPZSA-N 426.535 2.005 0 40 IEAB CS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(C(=O)C[C@@H]3CCCCO3)CC2)o1 72344919 RKNBSMPRJCOROK-DLBZAZTESA-N 440.566 2.221 0 40 IEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CCCNS(=O)(=O)c1cccs1 100142973 NJGQTNJYOOKCIP-GDBMZVCRSA-N 445.570 2.446 0 40 IEAB CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)CC1 101509270 NSJGEXWTVXFQHP-OTWHNJEPSA-N 437.606 2.380 0 40 IEAB Cc1cccc(-c2noc(CNC(=O)CN(c3ccc(F)cc3F)S(C)(=O)=O)n2)c1 220098327 GYJRBAKDNBOMHD-UHFFFAOYSA-N 436.440 2.406 0 40 IEAB CN1CCN(C(=O)CC(O)CC(=O)N2CCN(C)c3cc(F)ccc32)c2ccc(F)cc21 537287348 RUMNSKZCJXUQPK-UHFFFAOYSA-N 444.482 2.372 0 40 IEAB COc1ccc(C(=O)N2CCN3[C@H](C2)C(=O)N(Cc2ccccc2)C32CCOCC2)cc1 1772595386 RKULFTZYQLNNFQ-JOCHJYFZSA-N 435.524 2.371 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CNC(=O)c1ccco1 9318202 YDOOROJSHPKMKR-UHFFFAOYSA-N 435.502 2.221 0 40 IEAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCNc1ccc(Br)cc1 9421303 NTCOASXGMIGRAX-UHFFFAOYSA-N 431.294 2.249 0 40 IEAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@@]3(CCc4ccccc43)C1=O)O[C@H](C)C2 9778588 WQBAGWWFWQPHJB-SGANQWHYSA-N 449.507 2.418 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@@H](c2ccco2)n2nnnc2N1 10232026 NDRMHGHRIWZLRR-CQSZACIVSA-N 430.218 2.354 0 40 IEAB Cn1c(=O)c2c(nc3n(CC(=O)OCc4ccccc4)c(-c4ccccc4)cn23)n(C)c1=O 10271951 UONARNCPFPKJHR-UHFFFAOYSA-N 443.463 2.097 0 40 IEAB Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1[C@@H]1CCS(=O)(=O)C1 12878935 VSUDVVGZWIKRRX-MRXNPFEDSA-N 442.541 2.016 0 40 IEAB Cc1nn(C)c(C)c1CNC(=O)C(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21 13629507 BLGFGRFAALJZSA-NRFANRHFSA-N 431.496 2.057 0 40 IEAB Cc1ccnn1CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 19238401 GPRCIWMSMOHQKR-GOSISDBHSA-N 438.576 2.372 0 40 IEAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCN(C)CC3)cc2c1 19499583 MBVKYRZCYJQRMG-FQEVSTJZSA-N 439.564 2.395 0 40 IEAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)[C@H]2CC(=O)N(C)C2)CCO1 19587321 FLELXEPLAMAUKI-NVQXNPDNSA-N 449.551 2.060 0 40 IEAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)cc1 19692654 WVVLGBFMJMXWOF-FQEVSTJZSA-N 449.511 2.131 0 40 IEAB Nc1nc2c(cc1C(=O)Nc1ccc(F)cc1)CN(C(=O)CCn1ccccc1=O)CC2 19698706 RLEONJHYDVKNSC-UHFFFAOYSA-N 435.459 2.192 0 40 IEAB Cc1nc([C@H]2CCCN2C(=O)CN2CCOCC2)ncc1C(=O)Nc1ccc(F)cc1 19755057 OUJUVTKQGMUTDV-LJQANCHMSA-N 427.480 2.172 0 40 IEAB Cc1cnc(C(=O)N2CC[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)cn1 19761324 LKFGJDUUHKWGAW-QGZVFWFLSA-N 431.496 2.435 0 40 IEAB CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)Cc1ccsc1 21584033 PEGJSPLHAWKTQX-UHFFFAOYSA-N 427.979 2.366 0 40 IEAB CN(CCNC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccccc1 22331846 MZVQFGDFKHEJNQ-UHFFFAOYSA-N 440.363 2.468 0 40 IEAB O=C(O[C@H]1C2CCN(CC2)[C@@H]1CN1CCOCC1)[C@@](O)(c1ccccc1)C1CCCC1 22588469 HUNNPEGZZSIPJQ-GIFXNVAJSA-N 428.573 2.403 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)Cn2ncc(Br)c(Br)c2=O)c1C 23558336 NTSMBLVYVCWTAI-UHFFFAOYSA-N 447.083 2.383 0 40 IEAB CCOC(=O)C1=C(COC(=O)[C@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)NC(=O)NC1 29589504 OZRMCIVLGQBDRR-GJZGRUSLSA-N 443.500 2.226 0 40 IEAB COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)sc2c1 34858808 DHFBMAKVGQFMNA-UHFFFAOYSA-N 446.554 2.493 0 40 IEAB O=C(CN1CCN(c2ccccc2)CC1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 57378476 WMTYUDLGJGROBX-JOCHJYFZSA-N 427.570 2.025 0 40 IEAB Cc1ccccc1C1(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CC1 72313329 ZLTSKQCSHMEELK-UHFFFAOYSA-N 426.561 2.172 0 40 IEAB COC(=O)CCN1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)[C@@H](C)C1 95986101 KBBQTXIUVXGYLI-KRWDZBQOSA-N 425.533 2.257 0 40 IEAB CCN1C(=O)/C(=c2/s/c(=C3\C=Cc4cc(C)ccc4N3CC)c(=O)n2CC)OC1=S 100509378 QWFYSONSTURXCX-MELVWCACSA-N 441.578 2.171 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)O[C@@H](C)C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 169342758 IBVMBBMYHBTRJM-YFSSQWDJSA-N 432.517 2.306 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223583215 XBTHNAYXBXQFTG-YSIASYRMSA-N 425.529 2.190 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 224355051 VRUQMVABQOOXEQ-INIZCTEOSA-N 447.557 2.131 0 40 IEAB O=C(O)CCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1N1CCc2ccccc2C1 257211756 CAHCANRXFYCIPK-YKBLPDKLSA-N 442.487 2.114 0 40 IEAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1 257222359 DTADCESDBVPIBO-IBGZPJMESA-N 434.422 2.475 0 40 IEAB Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)c1 257305180 SOTGBMCMNGSIGW-JOCQHMNTSA-N 433.559 2.381 0 40 IEAB O=C(c1cc2ccccc2[nH]1)N1CC2(C1)[C@H](COCc1cccnc1)CCS2(=O)=O 306128568 HEUINLVMNCBONB-SFHVURJKSA-N 425.510 2.409 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 408597593 ZMYXOTQTFZNHCD-UHFFFAOYSA-N 443.319 2.391 0 40 IEAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3ccc(OC)cc3)CCOCC1)C2 552713836 TYRPCRUIBHUFMA-UHFFFAOYSA-N 444.553 2.236 0 40 IEAB COC(=O)c1ccc(OC)c(S(=O)(=O)NCCc2ccc(-c3ccnn3C)cc2)c1 1889302864 PAXZVKYVIXATRI-UHFFFAOYSA-N 429.498 2.403 0 40 IEAB Fc1ccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4-c4ccccc4)CO[C@H]23)cc1 4259595 NOFJIIBIAIQAKD-WNRNVDISSA-N 426.477 2.173 0 40 IEAB biogenic,in-vitro COc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1 4411374 JQULRSFRGAXTQM-UHFFFAOYSA-N 426.477 2.198 0 40 IEAB Cn1cnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 9138302 DUOIYUNOEDCYOD-UHFFFAOYSA-N 429.955 2.374 0 40 IEAB CCn1nnc2cc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)ccc21 9284222 XEHFSYOWPWDGPO-UHFFFAOYSA-N 427.486 2.286 0 40 IEAB COc1ccc(CCNC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OC 9568787 POLCXCSXXZMPBR-MRXNPFEDSA-N 441.484 2.122 0 40 IEAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c2C1 9612484 RDMLTUUGNHEBTA-CABCVRRESA-N 430.526 2.162 0 40 IEAB COc1ccccc1NC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 9704187 YZXVXFCJMVFTSN-UHFFFAOYSA-N 441.509 2.499 0 40 IEAB COc1ccc(C(=O)NCCn2c(C)nc3ccccc32)cc1S(=O)(=O)NC1CC1 9969103 HFNWFAQUMCQQPB-UHFFFAOYSA-N 428.514 2.224 0 40 IEAB O=C(COc1ccc(Br)cc1F)NCCCN1C(=O)NC2(CCCC2)C1=O 10425164 RIUJFUZPTXJDMG-UHFFFAOYSA-N 442.285 2.338 0 40 IEAB COc1ccc(-c2ccc(N3CCN(S(=O)(=O)c4cccnc4)CC3)nn2)cc1OC 11695363 RHLFZMJBBNPFNA-UHFFFAOYSA-N 441.513 2.067 0 40 IEAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 12141922 URNLCMUZPXRKHF-SFHVURJKSA-N 427.530 2.208 0 40 IEAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)CC1=O 12811179 XSMUIGUQAKVJGK-BARDWOONSA-N 438.908 2.269 0 40 IEAB NC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)sc2c1CCCC2 12946100 SQKMLUKRAKWWTA-JOCHJYFZSA-N 438.509 2.058 0 40 IEAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)cc1F 12997804 YHEFUVVWCIVPPM-DZGCQCFKSA-N 435.525 2.442 0 40 IEAB CC[C@H](C)N(C(=O)CN1CCN(c2ccccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 13055829 KDLGYDQCWYUCKY-DLBZAZTESA-N 427.998 2.276 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1C 14248464 KBUZNTGYORYQEG-CQSZACIVSA-N 435.502 2.268 0 40 IEAB CC(=O)N1CCc2c(O)nc([C@H]3CCCN3C(=O)[C@@H](C)Oc3ccccc3F)nc2C1 19078760 VNADIXDHVBTMGU-FZKQIMNGSA-N 428.464 2.357 0 40 IEAB CNc1nc([C@@H]2CCCN(CC(=O)N(C)C3CCCCC3)C2)nc2c1CN(C(C)=O)CC2 19710441 LBRIVERSYHGOQE-GOSISDBHSA-N 442.608 2.393 0 40 IEAB Cc1nccn1C[C@H]1CCCN(C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)C1 19751700 LWIVJNNDLXZRRE-OAQYLSRUSA-N 447.539 2.222 0 40 IEAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2N2CCN(c3cccc(C)c3)CC2)cc1 19797027 PHYSABYDFABVOA-VXKWHMMOSA-N 448.610 2.065 0 40 IEAB O=C(C[C@@H]1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)NCCc1ccccc1 19817493 VHTYUKAXISNEHE-JOCHJYFZSA-N 447.539 2.005 0 40 IEAB COc1ccccc1CCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 20723728 XWEKIRDUICVCKL-FQEVSTJZSA-N 435.524 2.352 0 40 IEAB O=C(Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)NC[C@@H]1CCCO1 22767958 IJUVOQGGCJXVKQ-INIZCTEOSA-N 427.892 2.408 0 40 IEAB O=C1CCCc2[nH]c(=O)c(C(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)cc21 32373191 OPWBBKXTCAJMIH-IBGZPJMESA-N 429.904 2.351 0 40 IEAB O=C(CN1CCN(Cc2nc3sccn3c2Br)CC1)N1CCCCC1 58406228 JGSMNXNVQUZAGV-UHFFFAOYSA-N 426.384 2.288 0 40 IEAB O=C1NC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[C@@H]2CN(c3ncccn3)C[C@H]12 96262192 UPLAHYGFCXGLSJ-DLBZAZTESA-N 426.908 2.379 0 40 IEAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223472887 ADUYFNRBLPUDBZ-HXUWFJFHSA-N 431.558 2.049 0 40 IEAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)CCN3C(=O)CCCC3=O)[C@H]1CCCC(=O)N2 257286401 PLMLDZAZWBPGPN-IMWIBFENSA-N 425.529 2.187 0 40 IEAB CN1c2ccccc2N(C2CCN(C(=O)c3cccc4c3OCCO4)CC2)S1(=O)=O 575414183 JLIAYNGOGQYKFD-UHFFFAOYSA-N 429.498 2.264 0 40 IEAB COc1cccc2cc(C(=O)Nc3cc4c(cc3F)N(C)S(=O)(=O)N4C)c(=O)oc12 575612666 NPWDKAQXOBPSHO-UHFFFAOYSA-N 433.417 2.324 0 40 IEAB CNC(=O)[C@H]1CN(C(=O)c2cccc(Oc3ncccn3)c2)CCN1Cc1ccccc1 585261755 GLFGEHQGYCXAGW-OAQYLSRUSA-N 431.496 2.342 0 40 IEAB O=C(CN1CCO[C@@]2(CC=CCc3ccccc3OCCNC2=O)C1)NC1CCCCC1 2037884969 MPWVASXLUMYFPW-VWLOTQADSA-N 441.572 2.204 0 40 IEAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12 2712235 KVEPYTKVDODYMS-UHFFFAOYSA-N 438.436 2.353 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(Cc3ccccc3)o1)n2C 8723959 FLQYRQITKVPRME-UHFFFAOYSA-N 426.502 2.490 0 40 IEAB O=C1CCCN1c1ccc(OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 8745491 IKPKRDCPIPSHBG-FQEVSTJZSA-N 442.537 2.408 0 40 IEAB Cc1ccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)n2N)cc1 9172787 QKJMZDIYQLFPPG-UHFFFAOYSA-N 440.485 2.179 0 40 IEAB COc1cc(NC(=O)c2ccco2)c(C(=O)OCC(=O)NC(=O)NCC(C)C)cc1OC 11288373 OAXKFEOXZAKMJE-UHFFFAOYSA-N 447.444 2.188 0 40 IEAB O=C(O)C[C@H](C(=O)O)c1ccc(OCCOc2ccc([C@@H](CC(=O)O)C(=O)O)cc2)cc1 12285472 HCPDOMFJPYSCGA-HDICACEKSA-N 446.408 2.430 0 40 IEAB biogenic O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 12296354 GCVQMOVKGAWJTQ-DLBZAZTESA-N 445.523 2.043 0 40 IEAB biogenic COc1ccc(C)cc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12877833 BRQMXRDLVAIEBP-UHFFFAOYSA-N 443.569 2.437 0 40 IEAB Cn1c(SCC(=O)NCCCN2CCCC2=O)nc2sc3c(c2c1=O)CCCC3 12910082 SOEYCZYJPQCTRW-UHFFFAOYSA-N 434.587 2.095 0 40 IEAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(I)cc2)cc1 15502035 IIMBSILWOROHNP-UHFFFAOYSA-N 446.266 2.217 0 40 IEAB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NCCc2ccco2)c2ccco2)cc1 17043168 LQMSPZYGMWJVPX-IBGZPJMESA-N 430.482 2.171 0 40 IEAB NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)COc2ccccc2)CCO1 19373474 YOGOBIWFJCXSFW-VWLOTQADSA-N 431.492 2.453 0 40 IEAB COCCN1C[C@@H](c2cc(N(C)C)nc(C3CCN(C(=O)C(C)(C)C)CC3)n2)CC1=O 19697364 IVUSSXKRSIHWFW-KRWDZBQOSA-N 431.581 2.257 0 40 IEAB COCCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3cn4ccc(C)cc4n3)nc21 19698096 QMXFGCQWFTYXOP-UHFFFAOYSA-N 436.516 2.329 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(CC(=O)Nc1ccccc1F)CC2 19711375 GLICLXRGBAAAGI-UHFFFAOYSA-N 440.523 2.380 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)C3(c4cccc(F)c4)CCOCC3)C2)ncc1C(N)=O 19763444 XVMXCAGAWGFSBF-INIZCTEOSA-N 426.492 2.477 0 40 IEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCN2C(=O)c2cnccn2)cc1 19767103 WRLMBOWRKPMHPS-FQEVSTJZSA-N 432.484 2.491 0 40 IEAB O=C(CCN1CCN(Cc2cc(=O)n3ccccc3n2)CC1)Nc1cccc(Cl)c1 25942288 MDLAYNXXLHNGDJ-UHFFFAOYSA-N 425.920 2.494 0 40 IEAB O=C(CCc1nc2ccccc2o1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 32722513 UEMLNTOEIYRHAI-UHFFFAOYSA-N 429.498 2.098 0 40 IEAB O=C(CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1)Nc1cccc(F)c1 36408782 MDYRGEMZKPZNEU-UHFFFAOYSA-N 448.445 2.007 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3OC)CC2)cc1F 56997614 DTLLFBORXXWTCZ-UHFFFAOYSA-N 437.537 2.334 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@H]1c1cccs1 57415985 DTWORXGXXGNKHK-IBGZPJMESA-N 430.505 2.490 0 40 IEAB Cn1c(=O)n(CC(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c2ccccc21 72293373 FIBPSQBJQDHHLU-HXUWFJFHSA-N 434.496 2.295 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)o1 72313001 XHQSMLAJDHUEGB-UHFFFAOYSA-N 443.484 2.124 0 40 IEAB C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326298 MSGKXUZRLGVXRO-FPTDNZKUSA-N 441.919 2.304 0 40 IEAB CN(C1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1)S(C)(=O)=O 78710395 IULVQUCQIASJBC-UHFFFAOYSA-N 429.391 2.123 0 40 IEAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1N1CCCC1=O 219230234 UGZJIWOKKUTGFI-UHFFFAOYSA-N 434.499 2.412 0 40 IEAB CCOC(=O)C1CCN(C(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)CC1 220105973 SQUOGQIGZIFNOO-UHFFFAOYSA-N 426.535 2.042 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223209299 LJTMTEYMSNYBOW-LJQANCHMSA-N 449.548 2.454 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223386457 CYYXFEKZMKXUFH-FQEVSTJZSA-N 447.557 2.015 0 40 IEAB CN(c1ccc(CC(=O)NCCSc2ncn[nH]2)cc1)S(=O)(=O)c1ccccc1 225978899 PWYKNPDUTNSDAD-UHFFFAOYSA-N 431.543 2.081 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1F 408625627 VSTYPPLHYARVDR-JXMROGBWSA-N 431.533 2.449 0 40 IEAB Cc1cc(NC(=O)CSCC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)no1 506059422 ZTXXOVFQHBEJBV-QGZVFWFLSA-N 426.498 2.374 0 40 IEAB O=C(CN1CCOCC1)N1CCC[C@@H](c2cccc(-c3noc(C(F)(F)F)n3)n2)C1 585290232 PBEQQSWYMZXXBG-CYBMUJFWSA-N 425.411 2.189 0 40 IEAB COc1cc(C(=O)NC[C@@H]2CC[C@H]3CN(C(=O)NC(C)C)c4ccccc4CN23)on1 1565556790 WBOVUFUDNIRBDD-IRXDYDNUSA-N 427.505 2.384 0 40 IEAB CC[C@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 6820978 CRYUUJXIJCHLNO-QZTJIDSGSA-N 444.536 2.087 0 40 IEAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)COc2ccc(F)cc2)c1=O 12072160 HGBSISLMRMOUJB-UHFFFAOYSA-N 435.459 2.284 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)cc1 12757678 CYDSCLDKRWJSMD-UHFFFAOYSA-N 428.510 2.394 0 40 IEAB CCOc1ccccc1C(=O)NCC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 12947036 JOBCFZVVUWREQK-NRFANRHFSA-N 441.528 2.013 0 40 IEAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13120959 FGLSCEYJQKAIFO-UHFFFAOYSA-N 434.543 2.236 0 40 IEAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@H]1c1nnc2ccccn12 14235281 IMXDQDRNSZJYTR-SFHVURJKSA-N 425.514 2.491 0 40 IEAB Cc1cccc(C)c1-n1nnnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 15029026 LXKKLYGJPOSRTO-UHFFFAOYSA-N 426.458 2.448 0 40 IEAB Cc1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1S(=O)(=O)N1CCOCC1 15311164 QNRAGAGDXZYJEN-GOSISDBHSA-N 430.482 2.256 0 40 IEAB COc1ccccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1=O 16870222 CUOYISUBNOLRDP-WBVHZDCISA-N 439.468 2.006 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19740832 FZFWBKPHLHWVER-NRFANRHFSA-N 449.555 2.497 0 40 IEAB COCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 19744459 XFTQLHIROFYUOJ-QGZVFWFLSA-N 426.492 2.408 0 40 IEAB CNC(=O)c1cnc([C@H]2CCCN(C(=O)COCc3nc4ccc(C)cc4[nH]3)C2)nc1C 19763580 VIFFGSVNTHAIJK-INIZCTEOSA-N 436.516 2.252 0 40 IEAB CCN(CC(=O)NCc1ccc(OC)c(OC)c1)S(=O)(=O)c1cc(C)ccc1OC 20014804 MZNSARHZVGPKQY-UHFFFAOYSA-N 436.530 2.348 0 40 IEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 20738396 PIJQZANUACJWBY-IIBYNOLFSA-N 435.480 2.430 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(N(C)C)nc1 22395015 GIXAMGFYGYABFU-HNNXBMFYSA-N 426.539 2.325 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 23025111 XGRYQXBVUAZCKH-UHFFFAOYSA-N 430.498 2.359 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(CNC(C)=O)s3)CC2)cc1F 24977990 GDYDRYPBRFDXMG-UHFFFAOYSA-N 441.550 2.038 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)COC(=O)c2cccc(Cn3cccn3)c2)n1 28562682 YDKLEDNUPPTJCY-UHFFFAOYSA-N 428.470 2.289 0 40 IEAB O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)NCCCc1ccccc1 34856225 NLLMILDJILVWNP-CPNJWEJPSA-N 427.570 2.354 0 40 IEAB CSc1ccccc1NC(=O)CN(C)C(=O)CN1CCN(C(=O)c2cccs2)CC1 35436183 UPUBBAYGUFIXTK-UHFFFAOYSA-N 446.598 2.325 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3cn(C(F)F)nc3C)CC2)cc1OC 36614981 ONVHMTTZQZEBQI-UHFFFAOYSA-N 430.477 2.110 0 40 IEAB O=S(=O)(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccccc1Cl 70924454 KSBFJGDCTGEVOS-UHFFFAOYSA-N 429.951 2.114 0 40 IEAB Cc1ccccc1OCC(=O)Nc1ccc(-n2nnc(C(=O)NCC(F)(F)F)n2)cc1 71004772 ZQAHBIOXZDCTAW-UHFFFAOYSA-N 434.378 2.280 0 40 IEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 72296799 AVOXALIOYHXVNU-HRCADAONSA-N 448.589 2.196 0 40 IEAB Cc1nc([C@H]2CCCCN2C(=O)CCC(N)=O)nc2c1CC(=O)N2Cc1ccc(F)cc1 72371885 UTYOCARTXVEPBR-GOSISDBHSA-N 439.491 2.333 0 40 IEAB COc1ccc(-c2nc(CNC(=O)[C@H]3CCCN(c4ccc(=O)n(C)n4)C3)cs2)cc1 77100969 PVDVMYULAVFSBX-INIZCTEOSA-N 439.541 2.445 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 89493519 VVKCRJRHNJSYFF-MRXNPFEDSA-N 428.576 2.307 0 40 IEAB CC(=O)Nc1ccc(N2C(=O)c3cccc4c(N(CCO)CCO)ccc(c34)C2=O)cc1 95470892 LGNCJWMXAQWPCF-UHFFFAOYSA-N 433.464 2.390 0 40 IEAB Cn1cc(-c2nc3c(c(NC4CC4)n2)CN(S(=O)(=O)c2cccc(F)c2)CC3)cn1 96254217 FQSVSYNFTDRGPV-UHFFFAOYSA-N 428.493 2.338 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)CC1 96345419 WGMLIESLINJYTM-OAHLLOKOSA-N 437.475 2.412 0 40 IEAB CCc1nc(N2CCOCC2)ncc1C(=O)N1[C@H]2CC[C@H]1c1cnc3cc(C)nn3c1C2 100141383 UGPSYNIXFGFCQI-KXBFYZLASA-N 433.516 2.129 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1C 101635988 HOMOELKBCAUBPK-SOUVJXGZSA-N 432.473 2.098 0 40 IEAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NCCOC)cc1)S(=O)(=O)CC 222397884 XHCMEKABCMEOPX-UHFFFAOYSA-N 433.530 2.491 0 40 IEAB CCOC(=O)C1CCN(C(=O)CCCN(c2ccccc2OCC)S(C)(=O)=O)CC1 222611870 HZZWMLPRNLZHEQ-UHFFFAOYSA-N 440.562 2.433 0 40 IEAB CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224428376 WMBNIMGZMZKNLT-UHFFFAOYSA-N 425.536 2.462 0 40 IEAB CCOc1ccc(CN2CCc3nc([C@@H]4CCN(C(C)=O)C4)nc(NC)c3C2)cc1CO 257282764 OVEUVIBCBDYSBP-GOSISDBHSA-N 439.560 2.303 0 40 IEAB COc1ccc(OC)c(NC(=O)CNC(=O)C(=O)Nc2ccc(Br)cc2)c1 408555431 XAEOPOPGDHXIDN-UHFFFAOYSA-N 436.262 2.160 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 408643592 AVKDQBMINZQYNC-HNNXBMFYSA-N 432.498 2.229 0 40 IEAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 408670681 XQSDFICOOLVTCV-UHFFFAOYSA-N 438.436 2.277 0 40 IEAB CN1CC2(CCCCc3ccccc3OCC1=O)CCN(C(=O)c1cn(C)nn1)CC2 643580036 OOXUXMGLEAHIOO-UHFFFAOYSA-N 425.533 2.301 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N(C)C)C12CCN(C(=O)N1CCOCC1)CC2 1549167670 QYNOZIGMMZVLCR-FQEVSTJZSA-N 442.560 2.009 0 40 IEAB COc1cc2c(c(OC)c1OC)-c1ccc(S(C)(=O)=O)c(=O)cc1[C@H](NC(C)=O)CC2 1872186 ONNFMPUFCCPFAO-MRXNPFEDSA-N 447.509 2.267 0 40 IEAB CN(c1ccc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1)S(C)(=O)=O 9222436 PTNVJXXIBRSUJQ-JOCHJYFZSA-N 441.509 2.049 0 40 IEAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9378483 MIAYJGHROSRPCZ-OAQYLSRUSA-N 436.443 2.136 0 40 IEAB CCC(=O)N(c1nnc(SCCN2C(=O)c3ccccc3S2(=O)=O)s1)C1CC1 9815946 RWYXPCOOHQIAMJ-UHFFFAOYSA-N 438.556 2.380 0 40 IEAB CCOC(=O)Cn1c(C)c(C)n2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc12 10233731 BVVHSJRIUDENDP-FMIVXFBMSA-N 435.484 2.043 0 40 IEAB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)NCc1ccc2c(c1)OCO2 10255304 FDFFSAVZTFWPJP-OAHLLOKOSA-N 443.525 2.048 0 40 IEAB C[C@H](OC(=O)c1sccc1S(=O)(=O)NC1CC1)C(=O)Nc1ccc(Cl)cn1 10564636 KLGZBUTTXXRUKH-VIFPVBQESA-N 429.907 2.421 0 40 IEAB COc1ccc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)cc1S(=O)(=O)N(C)C 10790987 QYBLTFNGQPFUHD-CQSZACIVSA-N 432.498 2.080 0 40 IEAB COc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)c1 11665790 SWXXMAUOZRMITM-UHFFFAOYSA-N 429.484 2.490 0 40 IEAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1ccc(F)c(F)c1 12071560 YIDRUDRUSOELAX-UHFFFAOYSA-N 427.386 2.489 0 40 IEAB Cc1c(C(=O)N2CCC(c3nc(-c4ccccn4)ncc3S(C)(=O)=O)CC2)cnn1C 12133049 CXBMIUWLHDRSOW-UHFFFAOYSA-N 440.529 2.004 0 40 IEAB CCOc1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1OC 12184589 RUVMMODAMCRBRI-IYBDPMFKSA-N 428.533 2.349 0 40 IEAB COCCNC(=O)[C@H](c1ccco1)N(C(=O)C(=O)NC1CCCC1)c1ccc(F)cc1 12640749 FENLMNBKNAYODQ-IBGZPJMESA-N 431.464 2.314 0 40 IEAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)C1 12793014 ONKWLBMYGSVNKY-PMACEKPBSA-N 440.588 2.071 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)Cn2cnc(-c3ccc(OC)cc3)cc2=O)n1 13807260 NJMFBAPQWNGLIJ-UHFFFAOYSA-N 428.470 2.120 0 40 IEAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@@H]1CCS(=O)(=O)C1 16872462 DMGFIWIZMAQDDB-IONNQARKSA-N 442.872 2.185 0 40 IEAB CN(CCOc1ccc(Br)cc1)C(=O)CNC(=O)c1ccc2c(c1)OCO2 18047495 FLVVMCHIMUSWPC-UHFFFAOYSA-N 435.274 2.445 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)OC(C)(C)C)n2N)c1 18268242 XSJBWDFHHOFMTK-UHFFFAOYSA-N 441.579 2.123 0 40 IEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O 19750535 QCGQWJPVLCEOCV-HNNXBMFYSA-N 427.549 2.009 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 21707612 MUGJEQWLYKUYGM-UHFFFAOYSA-N 442.946 2.197 0 40 IEAB COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3ccn(C)n3)nc12 23128158 ZHHWLCARYGCIFL-UHFFFAOYSA-N 445.545 2.416 0 40 IEAB COc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC(C(N)=O)CC2)cc1OC 23157098 KTERKDTXAKGNRF-MRXNPFEDSA-N 431.518 2.109 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccnc(N3CCCC3)c2)cc1 30012198 JVUUDZJWHOBTKX-FQEVSTJZSA-N 428.558 2.460 0 40 IEAB CN(c1ccc(OCC(=O)NCCCn2cccn2)cc1)S(=O)(=O)c1cccs1 30170348 CXGHCQOKCDLGRC-UHFFFAOYSA-N 434.543 2.355 0 40 IEAB CN(c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)c1)S(C)(=O)=O 30752783 ZJGNGQNRHUFWOT-UHFFFAOYSA-N 431.923 2.360 0 40 IEAB CCN(CC)C(=O)COc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl 31955251 BVLVGSCSEJHTGA-UHFFFAOYSA-N 445.969 2.197 0 40 IEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)ccc21 32502300 SRMLNPZNQOJZFA-UHFFFAOYSA-N 436.921 2.168 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)cc1 40388805 JLBKGELSXBXBSY-LRDDRELGSA-N 438.488 2.029 0 40 IEAB COCc1nn2c(nnc3c(=O)n(NC(=O)c4cccnc4)ccc32)c1-c1ccc(F)cc1 40392293 FGBOIFJXFOTTNC-UHFFFAOYSA-N 445.414 2.171 0 40 IEAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1cccnc1Cl 67239566 QTOWFJVBTMSWOQ-UHFFFAOYSA-N 429.893 2.334 0 40 IEAB O=C(Cn1c(=O)n(C2CC2)c(=O)c2snc(-c3ccccn3)c21)NCc1ccccc1 67350267 UALHMFNDAYDQRN-UHFFFAOYSA-N 433.493 2.333 0 40 IEAB COc1ccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)nc2)cc1OC 72321815 UBVNIWSDLHAGET-XHSVMWQWSA-N 426.391 2.125 0 40 IEAB biogenic,in-vitro CCOC(=O)C1=C(COC(=O)CSCC(=O)Nc2ccc(C)cc2C)NC(=O)N[C@@H]1C 79199791 YAIASPFRUNTHLK-CQSZACIVSA-N 449.529 2.037 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3CCC[C@@H]3[C@@H]2C1=O 98085956 RCOXOIANDIFCLC-WCIQWLHISA-N 436.439 2.447 0 40 IEAB COc1ccc([C@@H](C)Nc2ncc3c(=O)n(-c4ccc5c(c4)OCO5)c(=O)[nH]c3n2)cc1 102911771 BDYZFKTVUODWMV-GFCCVEGCSA-N 433.424 2.379 0 40 IEAB CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1nccs1 108206811 ZDMSNEDSOAQMGW-UHFFFAOYSA-N 446.558 2.466 0 40 IEAB COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1Br 205669177 RVANFFABVLSNHP-WUXMJOGZSA-N 444.259 2.210 0 40 IEAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 223467319 CRGWVGVLVYFEFQ-OAQYLSRUSA-N 449.548 2.313 0 40 IEAB Cc1nccn1-c1ccc(CNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 225548326 DPDUQCVUUDNDAB-UHFFFAOYSA-N 430.505 2.398 0 40 IEAB CCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 257345215 BYDMVSJSMATFEA-BJLQDIEVSA-N 445.626 2.068 0 40 IEAB CCc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 260858091 JVZCHQCBYRIQBH-MRXNPFEDSA-N 449.548 2.317 0 40 IEAB CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(C(=O)c3csc(C)n3)CC1)COC2 306139159 SQVWOOLSQTZXDZ-ZDUSSCGKSA-N 432.550 2.024 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(C(C)=O)cc2)cc1 408645899 NIWXEPCOMLUGMD-UHFFFAOYSA-N 446.481 2.193 0 40 IEAB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 408663448 YHJQQVZCDYMXDP-AWEZNQCLSA-N 449.385 2.381 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)c(OC)c1 408666798 SNWHULUQAOGLLN-WBVHZDCISA-N 426.469 2.477 0 40 IEAB CCN1CCN(C(=O)Cn2cccnc2=O)[C@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 585169043 WPPKBFFOEGEPGI-JOCHJYFZSA-N 448.498 2.351 0 40 IEAB CCOc1cccc2c1OCCCCCNC(=O)CN(CC(=O)N=c1cc[nH]cc1)C2 643575054 DFIXQQMIKJDBDQ-UHFFFAOYSA-N 426.517 2.022 0 40 IEAB COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)Cc2c(O)ncnc2O)cc1 1589411116 MRQRCLZXKRVMJA-KRWDZBQOSA-N 444.488 2.260 0 40 IEAB FC(F)(F)c1ccnc(N2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)n1 1888910656 LETRHCGGSAECHY-CYBMUJFWSA-N 434.426 2.141 0 40 IEAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 1255955 UEQIDGQJFWJWCT-UHFFFAOYSA-N 432.571 2.203 0 40 IEAB CCOC(=O)CCCNC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 3294945 CEOVWLLPICXGOR-UHFFFAOYSA-N 427.530 2.288 0 40 IEAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6820993 RXUJFEAFPJUUCD-OAHLLOKOSA-N 429.546 2.304 0 40 IEAB CCOc1ccc(OCCNC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 8387967 QNVZXVQVTGGNMY-UHFFFAOYSA-N 425.485 2.137 0 40 IEAB CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)C[C@H]1NC(=O)NC1=O 8690852 IVBVVOVYPYPZNZ-IIBYNOLFSA-N 434.562 2.292 0 40 IEAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 9315042 UUQNAGNQVAODIC-KRWDZBQOSA-N 430.505 2.127 0 40 IEAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@@H]1COc2ccccc2O1 9449517 FEMBKLFYKPROSZ-GOSISDBHSA-N 430.526 2.360 0 40 IEAB CCOC(=O)C1=C(COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)NC(=O)N[C@@H]1C 9635255 WCPSUUJSGIOSNO-SNVBAGLBSA-N 440.378 2.117 0 40 IEAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OC)c(F)c3)n2)cc1 9844755 GSOVOKASIDMEEK-UHFFFAOYSA-N 447.488 2.435 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(Br)cc2)[C@H](c2ccco2)n2nnnc2N1 10232025 NDRMHGHRIWZLRR-AWEZNQCLSA-N 430.218 2.354 0 40 IEAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1 11443730 RUXIABCULGWSJC-SECBINFHSA-N 428.436 2.375 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2)C1=O 11859360 XQRIDRCMJSCCJN-INIZCTEOSA-N 442.541 2.003 0 40 IEAB COc1cc(OC)cc(C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4C)cnc32)c1 12072103 NGFZRDTXISGMKG-UHFFFAOYSA-N 447.495 2.397 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C4CC4)nn3-c3nc(C)cc(=O)[nH]3)CC2=O)cc1 12123690 UMZMKKJUGQEYAT-INIZCTEOSA-N 432.484 2.441 0 40 IEAB O=C(NCc1cccnc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 12537644 DPEPCWQYQPZGHL-UHFFFAOYSA-N 428.436 2.317 0 40 IEAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2SCc2ccsc2)n(C)c1=O 12541025 TZDBWXDIHUGZAN-UHFFFAOYSA-N 441.538 2.426 0 40 IEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12760302 CGFGLICOIVGYPF-HNNXBMFYSA-N 429.498 2.085 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCc2cc3c(cc2Br)OCO3)c1 13117889 NTOVTLVSEQNIAX-UHFFFAOYSA-N 428.260 2.443 0 40 IEAB CCc1nnc(NC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)s1 13573084 DQVQHAFGZSLWAE-NEPJUHHUSA-N 435.600 2.338 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 13633142 HLCGUNWMKLBVHY-UHFFFAOYSA-N 436.530 2.082 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3ncccc3C)CC2=O)cc1 18231267 ULBZAPLFYIJFPV-MRXNPFEDSA-N 430.530 2.412 0 40 IEAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@H]3CCCN(S(C)(=O)=O)C3)nc21 19744573 IAHSTUVFIYCCJG-INIZCTEOSA-N 430.530 2.022 0 40 IEAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc(N(C)C)cc1 23062464 NPFAJNLFZARTAK-CQSZACIVSA-N 431.514 2.377 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)ccc1C 23509077 HUMBDXSUJDITSW-ROUUACIJSA-N 425.595 2.255 0 40 IEAB O=C1CCCN1Cc1ccccc1CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 26832660 JBGJEZSKLMYSOA-UHFFFAOYSA-N 427.526 2.414 0 40 IEAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 27260241 IJANCRXIOZLRNA-UHFFFAOYSA-N 435.484 2.383 0 40 IEAB Cc1cc(I)ccc1NC(=O)CN1C(=O)[C@H]2CCCCN2C1=O 32842873 JLIMQTUSRJPRGS-CYBMUJFWSA-N 427.242 2.355 0 40 IEAB COC(=O)c1sc(S(=O)(=O)N(C)CCOc2ccccc2)c(C(=O)OC)c1C 33047703 IKRDOTHLDXCFKM-UHFFFAOYSA-N 427.500 2.329 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)c1 48355351 AFTQWJSSKQKFBL-AWEZNQCLSA-N 427.457 2.472 0 40 IEAB O=C(N1CCOCC1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccc(F)cc1 96261948 XYXADFUNIBJEEN-QFIPXVFZSA-N 445.516 2.383 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)cc1 222586893 RDKDGGUJMVLUAL-QGZVFWFLSA-N 445.541 2.153 0 40 IEAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)C1 222618049 LDEHKHSEUTXEAK-CQSZACIVSA-N 426.926 2.410 0 40 IEAB COc1cccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)c1 225155549 PAPPHSQJFMIXBA-UHFFFAOYSA-N 448.526 2.465 0 40 IEAB COc1ccc(Cl)cc1N(CC(=O)NC[C@@H]1COc2ccccc2O1)S(C)(=O)=O 225244532 HGFGEEPOWGRBLG-CQSZACIVSA-N 440.905 2.071 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(C(=O)c2cnn(-c3ccccc3)c2C)CC1 225599605 WAIBYMIROYSPGO-UHFFFAOYSA-N 442.545 2.057 0 40 IEAB CCSc1nnc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)s1 225759219 JRUNRQZOFAEHPT-NSHDSACASA-N 434.952 2.469 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCc2ccccc2C1 260798391 SMZFBBKIZYHZMT-SFHVURJKSA-N 445.585 2.414 0 40 IEAB CC(C)Oc1ccc(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260899540 LXOFTZVFZLMTBJ-SFHVURJKSA-N 434.514 2.196 0 40 IEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OCC(=O)OC 409139050 LUEGCJRNAJOSHI-WUXMJOGZSA-N 429.834 2.411 0 40 IEAB OC1(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)CCN(c2ccccc2F)CC1 585286894 JWQGOHJVPOCUCJ-XMMPIXPASA-N 448.510 2.438 0 40 IEAB COC(=O)c1cn([C@@H]2CCN(C(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)C2)nn1 612839724 LJAUQQDEIVMAHM-MRVPVSSYSA-N 425.323 2.018 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncc(Br)c5)C[C@H]4C3)nn12 1888913623 DTRGSEYIHCLUJU-OKILXGFUSA-N 442.321 2.053 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5ccc(C)cc5C)C[C@H]4C3)nn12 1888930585 KMKIBZVRYBONRJ-CALCHBBNSA-N 426.546 2.060 0 40 IEAB O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 802429 USRADKJFQBKXNB-HXUWFJFHSA-N 435.524 2.400 0 40 IEAB COc1ccc2c(COC(=O)CN3C(=O)N[C@@]4(CCc5ccccc54)C3=O)cc(=O)oc2c1 9128416 CXMKMLOUTJNBMO-XMMPIXPASA-N 448.431 2.238 0 40 IEAB COc1ccccc1C(=O)NCc1nnc(S[C@@H](C)C(=O)Nc2nccs2)n1C 9263822 SCBZPRLQCRKYML-NSHDSACASA-N 432.531 2.330 0 40 IEAB C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1ccccc1 9418357 NBGRWELMJGMGIC-FUHWJXTLSA-N 447.532 2.048 0 40 IEAB Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1 9525912 PHHGUNJRKKFGKK-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 9980813 YYIXFVAKFHVUBS-FZKQIMNGSA-N 434.452 2.429 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10275821 RWYHAUFCBDVVOP-XLIONFOSSA-N 448.516 2.127 0 40 IEAB C[C@@H](OC(=O)c1sccc1S(=O)(=O)NC1CC1)C(=O)Nc1ccc(Cl)cn1 10564641 KLGZBUTTXXRUKH-SECBINFHSA-N 429.907 2.421 0 40 IEAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)NCCCn2ccnc2)c1 11613375 SXRAATAODAEKDX-QGZVFWFLSA-N 449.540 2.331 0 40 IEAB CCc1nc(SCC(=O)Nc2cccc3ccccc23)c2c(=O)n(C)c(=O)n(C)c2n1 11758063 KCHPALRGSIJTKK-UHFFFAOYSA-N 435.509 2.474 0 40 IEAB COCCn1c(-n2nc(C)c(C)c2C)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2C 12232086 PXWKYUBXRLCCQJ-UHFFFAOYSA-N 436.516 2.011 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1NC(C)=O 12854465 OFHGIFPVDDRWGB-HXUWFJFHSA-N 433.530 2.005 0 40 IEAB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)Nc1sccc1C(N)=O 16867536 ASENQLGTFGVGCH-LBPRGKRZSA-N 447.488 2.409 0 40 IEAB CC[C@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C1 19499767 CIDHQCRDWBTBFB-LSDHHAIUSA-N 426.492 2.470 0 40 IEAB O=C(NCCO)c1sc2ccccc2c1[C@@H]1CN(S(=O)(=O)c2ccccc2)CCO1 19697931 JVYWABABNLFLOM-KRWDZBQOSA-N 446.550 2.386 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3)CC1)C2=O 19701357 KWDKLRVMRWNTCT-UHFFFAOYSA-N 426.561 2.263 0 40 IEAB Cc1nn2c([C@H]3CN(C(=O)Cc4ccccc4)CCO3)ccnc2c1CN1CCC(O)CC1 19707719 LSWITWXBQVGRRA-HSZRJFAPSA-N 449.555 2.137 0 40 IEAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20643782 QIPCPUPFYVSOAY-UHFFFAOYSA-N 438.509 2.132 0 40 IEAB COc1ccc(CNC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(OC)c1OC 22330468 MKVVLGONQZIQPU-UHFFFAOYSA-N 442.921 2.448 0 40 IEAB CS(=O)(=O)c1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccco3)sc2c1 23109502 JHCHKXUHQMTTDH-UHFFFAOYSA-N 435.527 2.272 0 40 IEAB O=C(NC1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1)c1ccccc1 25768729 GIKIEUSORHIAQJ-UHFFFAOYSA-N 427.526 2.397 0 40 IEAB COC(=O)C1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CCCCC1 28634457 KPFTXBXXKILXCR-OAHLLOKOSA-N 428.576 2.449 0 40 IEAB CC(C)S(=O)(=O)c1cccc(-c2nnc(NC(=O)Cn3c(=O)oc4ccccc43)o2)c1 36709546 MOKGSOXIZJXIKB-UHFFFAOYSA-N 442.453 2.465 0 40 IEAB CS(=O)(=O)Nc1cccc(NC(=O)C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 38581060 SONUKJINPKLVSG-UHFFFAOYSA-N 448.520 2.486 0 40 IEAB O=C(NCc1ccnc(-n2cccn2)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 40094010 XXLICUQWAIYCBV-UHFFFAOYSA-N 439.541 2.126 0 40 IEAB COc1cccc(/C=C/C(=O)NS(=O)(=O)c2cncc(Br)c2)c1OC 65554360 GQHWIJAWTLMJPA-VOTSOKGWSA-N 427.276 2.380 0 40 IEAB O=C(CCSc1ccc(Br)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 72017023 PBCGCEJLXSHDPE-HNNXBMFYSA-N 447.420 2.263 0 40 IEAB COc1ccc(CCC(=O)N2CCCN(C(=O)[C@H](C)NC(=O)c3ccco3)CC2)cc1 72280473 QNFRYFWTNIPMGG-KRWDZBQOSA-N 427.501 2.100 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)Nc4ccccn4)n3)C2)c1 72357441 CLEFPQBSLOMQPJ-HNNXBMFYSA-N 426.502 2.031 0 40 IEAB O=C(CN1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1)Nc1ccc(F)cc1 96908319 TXEVVYQQRXDFND-UHFFFAOYSA-N 428.512 2.332 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5ccc6c(c5)OCO6)C(=O)[C@H]24)O3)cc1 103461207 PDNWLAIFJBGZSB-NCAYHCJHSA-N 448.475 2.022 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1cccc(OC)c1 106615654 AQDJXLMENCYMTF-OXJNMPFZSA-N 445.516 2.141 0 40 IEAB COc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1S(=O)(=O)N(C)C 222910984 JXYFDRBNZRMETH-UHFFFAOYSA-N 445.541 2.363 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222951332 PDOQGMZOVDFKGC-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223209550 GHEOGCZPXMRBBO-HXUWFJFHSA-N 449.548 2.454 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)C2)cc1 225283948 BUGXSIFFBHIWLI-QZTJIDSGSA-N 430.526 2.352 0 40 IEAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)COc3ccc(C(C)C)cc3)CC2)cn1C 238818644 CBTILDKKCYETKG-UHFFFAOYSA-N 434.562 2.154 0 40 IEAB O=C(OCCCc1cnc2ncnn2c1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 390831985 WLMOLEJQHUWELK-UHFFFAOYSA-N 443.529 2.273 0 40 IEAB Cc1nc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)n[nH]1 512556679 ZSPRUHSAGOCQIV-UHFFFAOYSA-N 425.514 2.263 0 40 IEAB O=C(c1cncc(Br)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148528 UEVASUOBCMOKKD-UHFFFAOYSA-N 449.227 2.275 0 40 IEAB O[C@]1(CNCc2cccc(OCCN3CCCCC3)c2)CCCN(c2ncccn2)C1 585270782 BCDJJUQSDQTKNB-DEOSSOPVSA-N 425.577 2.462 0 40 IEAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1 1365419 IQACSBRVZTZJSZ-QGZVFWFLSA-N 440.529 2.319 0 40 IEAB Nn1c(SCC(=O)NC(=O)NCc2ccccc2)nc2sc3c(c2c1=O)CCCC3 2181064 PHEULJATXTVEPB-UHFFFAOYSA-N 443.554 2.169 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)no1 2620684 VHALLJOQYUFFAG-UHFFFAOYSA-N 426.406 2.156 0 40 IEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C 5884680 HRENLQRQQQVHGI-UHFFFAOYSA-N 425.485 2.052 0 40 IEAB COc1cc([C@@H]2c3cc4c(cc3O[C@@]3(OC)COC(=O)[C@H]23)OCO4)cc(OC)c1OC 5941918 YHXBZXBIGHSHTP-DXIQSLLYSA-N 430.409 2.481 0 40 IEAB CCOCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 8706268 KLVCCLVKZLLOHT-CQSZACIVSA-N 444.923 2.392 0 40 IEAB C[C@H](C(=O)NCCc1cccs1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 8853302 XSOSLLAXZYEWLB-MRXNPFEDSA-N 439.578 2.331 0 40 IEAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCc2cccnc2)C(=O)[C@]31C 8918594 BJEUBCIHSANOBT-BSEYFRJRSA-N 447.495 2.312 0 40 IEAB biogenic CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nc(-c3ccccc3F)n[nH]1)C2=O 9376674 DOYKVPDDDNLJDC-UHFFFAOYSA-N 432.481 2.235 0 40 IEAB CCOC(=O)[C@H](C)Sc1ccc2nnc(CCNC(=O)c3ccc(OC)cc3)n2n1 9578657 SPVTUANMEFQOHU-ZDUSSCGKSA-N 429.502 2.149 0 40 IEAB O=C(O)CCCCCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)NC1=S 9763332 MAZRWLFZLSMMDP-YPKPFQOOSA-N 438.303 2.474 0 40 IEAB CCN(Cc1nc(-c2ccc(OC)cc2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10431399 DNEOJEVEEOUWNX-UHFFFAOYSA-N 448.483 2.252 0 40 IEAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c4nonc34)CC2)cc1 12323287 HZRRYUPKSGBNHH-UHFFFAOYSA-N 436.877 2.032 0 40 IEAB CC(=O)Nc1ccc(/C=C(\C(=O)O)c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 12589326 FSSYNHBTKAGYIS-VBKFSLOCSA-N 436.511 2.353 0 40 IEAB CCOCCCn1c(S[C@@H](C)C(=O)NC(=O)NC)nc2cc(Cl)ccc2c1=O 12848953 BZKJOXPAGNPVJW-NSHDSACASA-N 426.926 2.413 0 40 IEAB CCOc1ccc(C(=O)OCC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1OC 12974303 RIOUNTHATPTVKS-FQEVSTJZSA-N 442.512 2.268 0 40 IEAB Cc1cc(C)n2c(SCC(=O)N(c3ccccc3)[C@H]3CCS(=O)(=O)C3)nnc2n1 13117038 OLNBTHVTPIVDCI-INIZCTEOSA-N 431.543 2.054 0 40 IEAB CCCCCC(=O)N[C@H](NC(=S)N[C@@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 13879229 HAAWUEZCVQHVIK-MWLCHTKSSA-N 438.830 2.030 0 40 IEAB Cc1cc(C)cc(C(=O)NCC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1 14249799 VSVTYPBLSMVKMO-UHFFFAOYSA-N 431.558 2.177 0 40 IEAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 14291470 MWALQRDTZMJHIY-UHFFFAOYSA-N 430.935 2.303 0 40 IEAB NC(=O)C1CCN(C(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(COc3ccccc3)on2)CC1 15673621 JVPMGDPORHTVAM-OALUTQOASA-N 440.544 2.136 0 40 IEAB biogenic,in-vitro COc1ccc([C@H](CNC(=S)NCc2ccc3c(c2)OCO3)N2CCOCC2)cc1 16318469 WZMDYUQJFBSAAG-IBGZPJMESA-N 429.542 2.462 0 40 IEAB Cc1cc(C)nc(SCC(=O)O[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1 16717727 XHHUGPZGPWQJQB-CYBMUJFWSA-N 446.485 2.237 0 40 IEAB O=C(COC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)Nc1cccnc1Cl 16924007 KULXMELCYGWYDC-UHFFFAOYSA-N 428.832 2.166 0 40 IEAB CN(Cc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)o1)S(C)(=O)=O 19586441 RRTYSNNWRKHEOM-MJGOQNOKSA-N 427.473 2.059 0 40 IEAB CNc1nc(C2CCNCC2)nc2c1CN(S(=O)(=O)c1cc(C)c(OC)cc1C)CC2 19711373 NEQMTKALHTYJKZ-UHFFFAOYSA-N 445.589 2.358 0 40 IEAB COc1ccccc1CNC(=O)c1ccc(C2CCN(C(=O)Cn3cccn3)CC2)nc1N 19765792 TYJJILRQKZFNFP-UHFFFAOYSA-N 448.527 2.205 0 40 IEAB CCCn1c(N2CCN(C(=O)CCC(=O)O)CC2)nc2sc3c(c2c1=O)CCCC3 20717108 XQNVFNHYEOQPHU-UHFFFAOYSA-N 432.546 2.260 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1 22247628 JURQBDVJFYORMY-FPOVZHCZSA-N 432.542 2.270 0 40 IEAB CCCn1c(=O)n(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c2ccccc21 24137528 ZRXOVGRUQHQJGD-UHFFFAOYSA-N 434.540 2.492 0 40 IEAB O=S(=O)(c1cccc(Br)c1)N1CCN(Cn2ncsc2=S)CC1 24988706 CUXABMPBAFBBCV-UHFFFAOYSA-N 435.394 2.401 0 40 IEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccnn1Cc1cccc(Cl)c1 29294342 VUFDAUGOXFTPRL-UHFFFAOYSA-N 430.873 2.368 0 40 IEAB O=C(CSc1n[nH]c(=O)n1CCc1ccccc1)N1CCN(Cc2cccs2)CC1 30674209 PGTKJFOCNSPUFT-UHFFFAOYSA-N 443.598 2.312 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccccc2)c1 33603375 UHCPLRDEZQREBZ-IBGZPJMESA-N 448.541 2.190 0 40 IEAB Cn1c(CCC(N)=O)nn(CN2CCN(Cc3csc4ccccc34)CC2)c1=S 40019927 DSMMXMIDLYKGKU-UHFFFAOYSA-N 430.603 2.359 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@@H]3CCCO3)C[C@H]3CCCO3)cc2c1 59429725 XHHSPHCQVLRSFY-UXHICEINSA-N 438.532 2.183 0 40 IEAB COc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c(OC)c1OC 69526125 NJTJBUAATVVVJA-UHFFFAOYSA-N 436.486 2.455 0 40 IEAB Cc1nn(CC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1Cl 72338862 YEIBONUJHMMNRH-LJQANCHMSA-N 437.953 2.122 0 40 IEAB COCCN(C(=O)Nc1ccc(OC2CCOCC2)c(C)c1)[C@@H]1CCS(=O)(=O)C1 95983861 KOADKAJHODPJRI-QGZVFWFLSA-N 426.535 2.220 0 40 IEAB CCOC(=O)N1CCc2nn(CC(=O)Nc3cccc(Br)c3)c(=O)cc2C1 96105720 HNYXIEHCXZIUMO-UHFFFAOYSA-N 435.278 2.159 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCCC[C@H]4C)nc(=O)c32)c1 139105302 UNBVIWNQHDZGSZ-TZMCWYRMSA-N 441.488 2.230 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 208958275 YEOXLNQSFCCROZ-MBNRZODZSA-N 443.569 2.220 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)c(OC)c1 223655431 MREXOQXJXYRWLK-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB CN1CCN(CC(C)(C)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 248212421 DUBGTBXOXDDQON-LWTKMMONSA-N 440.588 2.084 0 40 IEAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 575425980 JZNQUJUCHKBIAO-HZPDHXFCSA-N 430.935 2.019 0 40 IEAB Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1=O 575616623 UIDIGJLESAWNMM-UHFFFAOYSA-N 438.859 2.421 0 40 IEAB CC(=O)N[C@H]1C[C@@H](C(=O)O)N(CC(=O)NCc2ccccc2Cl)[C@H]1c1ccccc1 585262210 ZJQPMFOZETVIGE-ZJOUEHCJSA-N 429.904 2.361 0 40 IEAB COc1cc(CN(C)C[C@@]2(O)CCCN(c3ncccn3)C2)ccc1OCCCN(C)C 585274350 VIPAUSLOALSSEQ-DEOSSOPVSA-N 443.592 2.279 0 40 IEAB COCCN1C[C@H](O)C(C)(C)COCCC[C@H]2CN(C(=O)NC(C)C)CC[C@H]2CC1=O 1534609704 FVAZYDXXHKZOPR-UFYCRDLUSA-N 441.613 2.105 0 40 IEAB COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)c1 932454 XDMTYBSXSNNWRS-UHFFFAOYSA-N 429.458 2.182 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 3252477 RPLIAGXIEULOLN-LLVKDONJSA-N 447.538 2.375 0 40 IEAB CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1 3283879 YJSWQMCOWXEMAK-UHFFFAOYSA-N 428.413 2.334 0 40 IEAB COc1ccc(C(=O)OCC(=O)NC2CC2)cc1S(=O)(=O)N1CCCc2ccccc21 3478510 FDUBADUDRMTFMR-UHFFFAOYSA-N 444.509 2.272 0 40 IEAB CCOC(=O)[C@H]1CC[C@H](OC(C)=O)[C@H](O[C@@H]2C[C@H](C(=O)OCC)CC[C@@H]2OC(C)=O)C1 4768918 VLXPZNOTDZLAIO-GNVSMLMZSA-N 442.505 2.330 0 40 IEAB COc1ccc(C(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)cc1OC 8594519 YIQCIZZFLFACPO-UHFFFAOYSA-N 438.484 2.107 0 40 IEAB COC(=O)c1ccc(Cn2cnc3c(nnn3-c3ccc(OC(F)(F)F)cc3)c2=O)o1 8903436 ZBBDOXXDXPWQMA-UHFFFAOYSA-N 435.318 2.304 0 40 IEAB COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1 9303428 AZRPEZTUFIQIGN-OAHLLOKOSA-N 446.554 2.417 0 40 IEAB O=C(Nc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9306598 MSRUNCQCIZKRDU-INIZCTEOSA-N 428.514 2.248 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)Nc3c4c(nn3C(C)(C)C)CS(=O)(=O)C4)CC2=O)cc1 9517992 DCSNSSYHGUZXOA-CQSZACIVSA-N 430.530 2.367 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 12752474 NZJMAJNIZVBCJZ-INIZCTEOSA-N 448.497 2.267 0 40 IEAB CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1 12910577 LQVBZSFORUSDEY-UHFFFAOYSA-N 436.550 2.144 0 40 IEAB O=C(CSc1nnnn1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 12923773 VSAMPDPVFFCJEG-UHFFFAOYSA-N 443.554 2.481 0 40 IEAB C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)OC5C[C@@H]6CC[C@H](C5)N6C)nc4c23)C1 13566313 ACHHTMXMBVPGDS-RDGKXADDSA-N 441.557 2.399 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 18120151 GRJVEMXCYJOPLU-UHFFFAOYSA-N 448.497 2.063 0 40 IEAB Cc1ccc(=O)n(CC(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2cccnc2)n1 19131101 VZPKWWGPSBMSBS-UHFFFAOYSA-N 432.459 2.433 0 40 IEAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699642 WILDIILMECNOTF-NRSPTQNISA-N 438.572 2.263 0 40 IEAB CNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)CCn2c(C)cc(C)nc2=O)C1 19703955 VLXJEJDAUYKUKU-HNNXBMFYSA-N 439.541 2.236 0 40 IEAB COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3N2C(=O)Cn2c(=O)n(C)c3ccccc32)cc1 19713946 MMHRRENDCFDJDQ-NNMXDRDESA-N 448.523 2.360 0 40 IEAB COCCNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O 20467184 YVPJFXRJOGVLRV-IHFZFUTHSA-N 431.577 2.402 0 40 IEAB biogenic,in-vitro CCCn1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C 21119400 HNHCUISLKQRDAN-UHFFFAOYSA-N 449.529 2.178 0 40 IEAB CS(=O)(=O)c1nc2ccccc2n1Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 23139354 HOPOEOBDBKDCBL-UHFFFAOYSA-N 445.501 2.409 0 40 IEAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 23151325 GAGNHLQHOVVEOY-GOSISDBHSA-N 432.502 2.169 0 40 IEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1ccccc1F 25515599 ZXCUYLQKYYDIAV-UHFFFAOYSA-N 448.447 2.201 0 40 IEAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)C1=O 25857138 YCHJQGVYOZSCJM-JOCHJYFZSA-N 439.468 2.404 0 40 IEAB CCOC(=O)C1=C(CN(C)CC(=O)Nc2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(C)o1 31246044 VLJTXUDBUMVKIJ-HXUWFJFHSA-N 444.463 2.469 0 40 IEAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)nc1C 32950536 PHLRMOYVRFJHAD-QGZVFWFLSA-N 435.484 2.493 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1ccc(CN3CCCC3)cc1)O2 38831837 CCNLYGLPWGQTJQ-JOCHJYFZSA-N 443.569 2.434 0 40 IEAB C[C@@H](O)[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCC(=O)N(C)Cc1ccsc1 48366101 PMHOUTAKUMVZNQ-DIFFPNOSSA-N 442.896 2.222 0 40 IEAB O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 56997751 YGRRMVOVJNFOSZ-UHFFFAOYSA-N 436.434 2.462 0 40 IEAB Cn1c(=O)c2c(c(-c3ccccc3)cn2C)n(CC(=O)NCCCc2ccccc2)c1=O 67235348 HUCTWMRCTMDUGL-UHFFFAOYSA-N 430.508 2.455 0 40 IEAB COc1cccc(CC(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)c1 72394884 UWUYFTYCFDZYIJ-FXAWDEMLSA-N 425.529 2.094 0 40 IEAB O=C(Nc1cc(N2CCOCC2)ncn1)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 77200519 LSQUKHUMGYHBQD-CYBMUJFWSA-N 446.305 2.067 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)cc1 100455054 DQIYOVBQRLUWGK-IRXDYDNUSA-N 426.473 2.269 0 40 IEAB CN1CCC(Oc2ccc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 219673704 WGOYOYBQXQJQFF-UHFFFAOYSA-N 443.525 2.333 0 40 IEAB CCc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)NCCOC)S(C)(=O)=O)cc1 220278595 VOGCCXFPCNPQQY-MRXNPFEDSA-N 447.557 2.418 0 40 IEAB COc1ccc(CNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c(OC)c1OC 220312223 JPFRICZOTMRPCQ-ZDUSSCGKSA-N 440.493 2.322 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222934375 ZOPICDTYISIKKJ-FQEVSTJZSA-N 431.558 2.314 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1Cl)c1ccc2c(c1)OCO2 223886028 IOUHMWHEWIKYOH-UHFFFAOYSA-N 426.878 2.030 0 40 IEAB CCc1ccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 224718807 BMZWLNIWDLZJKN-UHFFFAOYSA-N 445.585 2.164 0 40 IEAB O=C(c1cccc2c1OCCO2)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225761806 CQIGXIOOFWMNEH-UHFFFAOYSA-N 425.416 2.077 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 245230176 MTXGZVVJWPJPOQ-ZJTKBAOVSA-N 443.588 2.443 0 40 IEAB COCCN1C(=O)CN(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1=O 253398225 GSTZKOPPERDVED-UHFFFAOYSA-N 429.395 2.100 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 408595676 SORTUWIWUPPQPY-INIZCTEOSA-N 435.521 2.158 0 40 IEAB CCc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C(C)C)s1 548545044 YXBWIDOWSDOBBU-FUHWJXTLSA-N 438.571 2.426 0 40 IEAB COc1ccc(CN2[C@@H]3CN(Cc4ccncc4Cl)C[C@@H]3OCCS2(=O)=O)cc1 1534645827 IXMXHCBFWYUMMI-UXHICEINSA-N 437.949 2.159 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C)CC2)C12CN(C(=O)C(C)(C)C)C2 1549174748 PYVQSZGIGXCRET-HXUWFJFHSA-N 440.588 2.036 0 40 IEAB Cn1cc(-c2cnc(OC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)CC3)nc2)cn1 1889246750 HKWWKWWRHCXAKV-UHFFFAOYSA-N 448.527 2.397 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@H]1c1ccccc1 728674 KPZQILWHGVRZOB-FNGUVFISSA-N 448.500 2.334 0 40 IEAB COCCn1c(S)nc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1=O 3051754 JOFOBYLZNGALIX-UHFFFAOYSA-N 443.525 2.321 0 40 IEAB COCc1cn([C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(F)(F)F)c4)CO[C@@H]32)nn1 4260863 UHYPVUMCRUIYJF-ZJIFWQFVSA-N 428.367 2.399 0 40 IEAB biogenic,in-vitro CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1C 9283426 WGSNROOEADULTM-UHFFFAOYSA-N 427.457 2.496 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 9426634 MCJXQUCANVGUGF-MRXNPFEDSA-N 429.498 2.120 0 40 IEAB COc1ccc(-c2csc(NC(=O)Cn3[nH]c(=O)c4ccccc4c3=O)n2)cc1OC 9509889 FWXIFWAJHGGECN-UHFFFAOYSA-N 438.465 2.469 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H](C)c2ccccc2OC)cc1 9512558 IYWGWZYWZFHVMP-MRXNPFEDSA-N 447.557 2.333 0 40 IEAB Cc1nnc(SCCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1 10248856 FNKGEVWIWNAOAH-UHFFFAOYSA-N 435.579 2.002 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CCc3ccccc3)CC2)c(C)c1 10623059 CQEGDRUURTUNGY-UHFFFAOYSA-N 444.553 2.312 0 40 IEAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)N(C)S(=O)(=O)N1 12131115 WXXKUGMNOZVRIN-LSDHHAIUSA-N 432.333 2.254 0 40 IEAB CN(CC(=O)Nc1ccc(F)cc1)CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 13058637 CAMFXKNMOSNDAC-LJQANCHMSA-N 439.553 2.044 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)Cn2c(SCC(=O)N3CCOCC3)nc3ccccc32)C1 13082968 MYTWADKBEWJBIR-CALCHBBNSA-N 430.574 2.492 0 40 IEAB CCn1c(=O)c2c(nc3n(CCc4ccc(OC)c(OC)c4)c(C)c(C)n23)n(C)c1=O 13539866 UZYOVEWLRDRLFS-UHFFFAOYSA-N 425.489 2.046 0 40 IEAB COc1ccc(OCCCN2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 14198373 ONKFFBODMGGLTN-UHFFFAOYSA-N 447.557 2.462 0 40 IEAB Cn1nc(C(=O)OCc2nc(N)nc(Nc3ccc(Cl)cc3)n2)c2ccccc2c1=O 14246873 CLSJHBIPKGWSRY-UHFFFAOYSA-N 437.847 2.455 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)C[C@@H](C)O1 15912270 SCYRPYNEAZDXDE-HUUCEWRRSA-N 429.498 2.083 0 40 IEAB O=C(C[C@@H]1Oc2ccccc2NC1=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 16047238 ZNSCJXPNVGMVBZ-INIZCTEOSA-N 425.466 2.468 0 40 IEAB CC1(C)NC(=O)N(CC(=O)NC2CCN(CC3(c4ccccc4)CCCC3)CC2)C1=O 19460048 JEFOOWBNUWIUBR-UHFFFAOYSA-N 426.561 2.409 0 40 IEAB CNc1cc([C@@H]2CC(=O)N(C)C2)nc(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 19697315 SXRNKLVYLHDRRK-MRXNPFEDSA-N 429.546 2.032 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3ccccc3OC)CC1)C2=O 19700714 SGUFGYUNGOYEGW-UHFFFAOYSA-N 442.560 2.344 0 40 IEAB CCOC(=O)N1CCN(C(=O)Cc2cc(O)nc(SCc3ccccc3F)n2)CC1 23138389 ZXCUCGBUKGYZSH-UHFFFAOYSA-N 434.493 2.457 0 40 IEAB CN1C(=O)c2ccc(NC(=O)Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)cc2C1=O 25447317 DAHZYXKETFTMQV-UHFFFAOYSA-N 430.346 2.223 0 40 IEAB Cc1cn2nc(N3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)sc2n1 26703518 DLKXVJDFPVYRPO-UHFFFAOYSA-N 448.393 2.434 0 40 IEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(C(=O)N(C)C)cc1)C2=O 32905498 BSDNXENPEMZKEJ-NPMXOYFQSA-N 428.533 2.141 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCCC2)C1 44899851 OOOPOKPUPDOQRP-QGZVFWFLSA-N 436.578 2.160 0 40 IEAB Cc1cc(C)nc(Nc2nc(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cs2)n1 49029458 ZLAPAYHCKQITGN-UHFFFAOYSA-N 426.502 2.414 0 40 IEAB COc1cccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)c1 49402772 HAOBDTHRYFECOT-UHFFFAOYSA-N 449.916 2.315 0 40 IEAB COc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc1OC 56997953 CNJCECVIIAILEU-UHFFFAOYSA-N 446.935 2.234 0 40 IEAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2ccc(-n3ncc4c(=O)[nH]cnc43)cc2)C1 58101018 OFSGYNCMYZXXJK-HNNXBMFYSA-N 437.504 2.221 0 40 IEAB COC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 61718326 HNNNBMSLDXJTIU-HNNXBMFYSA-N 428.464 2.471 0 40 IEAB CCCCN(CC)C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 72329705 RYDIXSMSTHLOLI-UHFFFAOYSA-N 427.461 2.440 0 40 IEAB Cn1c2ccccc2c2c1cc(C(=O)N1CCN(c3ccncc3)CC1)n2S(C)(=O)=O 96146263 JBGDSHRJQRWFPD-UHFFFAOYSA-N 437.525 2.298 0 40 IEAB NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CCN(C[C@@H]3CCCc4ccccc43)C2)c1 108179040 WFWCGTFDFRIJGM-VQTJNVASSA-N 427.570 2.392 0 40 IEAB COc1cccc(-c2noc(CN(C)C(=O)c3cccc(N(C)S(C)(=O)=O)c3)n2)c1 222424870 RUZZASXORXEBCL-UHFFFAOYSA-N 430.486 2.413 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1cccc(C)c1C 223929536 YLNFNFXLHPXZEQ-UHFFFAOYSA-N 432.542 2.442 0 40 IEAB O=C1CCc2cc(S(=O)(=O)NC[C@@](O)(c3ccoc3)c3cccs3)cc3c2N1CC3 244986232 JLQDNEHDUIIOPT-OAQYLSRUSA-N 444.534 2.391 0 40 IEAB Cc1nc(Cn2ccnc2[C@H]2CN(C(=O)CS(C)(=O)=O)Cc3ccccc32)cs1 306143928 YQVOIBCNUZLWIT-SFHVURJKSA-N 430.555 2.215 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1 408922650 DCNFRKVTBJDONJ-UHFFFAOYSA-N 438.333 2.060 0 40 IEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 409196238 UULKLXXEDYZZMH-UHFFFAOYSA-N 449.548 2.488 0 40 IEAB C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)CCc1ccccc1)CC2 643564863 KGQQAQBPDNREPE-FQEVSTJZSA-N 443.588 2.440 0 40 IEAB COc1cc(CN(C)C[C@]2(O)CCCN(c3cnccn3)C2)ccc1OCCCN(C)C 2037924045 PVNHYAXKPKJQRH-XMMPIXPASA-N 443.592 2.279 0 40 IEAB CCCc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1 9715863 XNVYBTADEFKEOL-UHFFFAOYSA-N 438.513 2.148 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CNc1ccccc1C(N)=O)n2CCC(C)C 9885350 AGABIMPSISJESW-UHFFFAOYSA-N 426.521 2.444 0 40 IEAB COc1ccc(CC(=O)NCCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 11796236 VHGLNPKRNRDTED-UHFFFAOYSA-N 449.548 2.035 0 40 IEAB NC(=O)[C@H]1CC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)=NN1c1ccc(F)cc1 12536826 ZSDJCOFVWCVLGS-LJQANCHMSA-N 429.883 2.248 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)CN(C)C(=O)c2ccccc2)c1 12552784 WCCABRBNSMDGJO-UHFFFAOYSA-N 446.573 2.494 0 40 IEAB O=C(Cn1c(CN2CCOCC2)nc2scc(-c3cccs3)c2c1=O)NC1CC1 12613949 FCRFGLLARFPNQG-UHFFFAOYSA-N 430.555 2.297 0 40 IEAB O=C(CSc1nnnn1C1CCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12683859 SLRBOCVHCLLSIJ-UHFFFAOYSA-N 436.563 2.304 0 40 IEAB COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 15967665 SVLBGGTVMQBQQR-LEWJYISDSA-N 427.570 2.264 0 40 IEAB biogenic Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 19552843 VJDLWEHNQZOTJJ-UHFFFAOYSA-N 427.505 2.493 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)C(=O)N2CCN(C)CC2)cc1 22996641 SQYKALDRHVOXIG-UHFFFAOYSA-N 444.557 2.300 0 40 IEAB COc1ccccc1N1C[C@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)CC1=O 25863112 QIJKOKFKCILPRM-HXUWFJFHSA-N 436.556 2.377 0 40 IEAB CCn1c(N2CCN(C(=O)c3cccc(F)c3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555711 XOAWTKYFRLCAHP-UHFFFAOYSA-N 438.459 2.289 0 40 IEAB COc1c2c(c(NC(=O)c3nn(-c4ccccc4)ccc3=O)c3c1OCO3)CCN(C)C2 32124525 KMKBILPQDFHLPI-UHFFFAOYSA-N 434.452 2.210 0 40 IEAB biogenic CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 32724134 UTNMVUGJDVXKMA-OAQYLSRUSA-N 439.537 2.199 0 40 IEAB CCOC(=O)C1=C(Cn2cnc3sc(CC)cc3c2=O)NC(=O)N[C@H]1c1ccco1 32747082 HZHNLLQOCXVGMX-INIZCTEOSA-N 428.470 2.485 0 40 IEAB O=C(CN(Cc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)OCO2)NC1CCCCC1 35289257 LLRGGSXSJBXLAV-UHFFFAOYSA-N 427.457 2.425 0 40 IEAB COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2)cc1OC 35672537 DRKUDVRYUSZCBJ-KRWDZBQOSA-N 439.555 2.390 0 40 IEAB O=C([C@@H]1CCCO1)N1CCN(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)CC1 36386786 COLFSRHFHTXUKO-GMAHTHKFSA-N 435.524 2.477 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2cccc(CN3CCCC3)c2)Oc2ccccc21 38831818 IQMSCCMCIKMKMK-NRFANRHFSA-N 429.542 2.126 0 40 IEAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 44900218 KPFZPUSQTWVTSS-UHFFFAOYSA-N 437.905 2.436 0 40 IEAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccccc3)cc2c1 57642667 PGXCLQILALMHAG-UHFFFAOYSA-N 448.527 2.346 0 40 IEAB O=C(Nc1ccc(NCc2ccccn2)cc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 58230148 XEKXJSKSYDQADL-UHFFFAOYSA-N 441.513 2.295 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 72326407 WTWASGSZGKQJRU-FATZIPQQSA-N 435.484 2.176 0 40 IEAB COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 95477766 BWSAHWCPQLNWHO-LEWJYISDSA-N 426.469 2.294 0 40 IEAB CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(OCC(=O)NC)c2)c1 210002754 OSZIQBDTUACVOX-UHFFFAOYSA-N 431.489 2.375 0 40 IEAB O=C(NC[C@H]1CC[C@H](C(=O)O)CC1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 217499235 KCHRTDQGIZBUNV-UEXGIBASSA-N 449.507 2.481 0 40 IEAB CCOc1ccccc1CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225559996 JSKKXLYZWKHVFP-UHFFFAOYSA-N 432.542 2.469 0 40 IEAB C[C@@H]1Cc2cc(C(=O)NCCSc3ncn[nH]3)ccc2N1S(=O)(=O)c1ccccc1 225849647 LLHBANSXBWJFMB-CQSZACIVSA-N 443.554 2.467 0 40 IEAB COc1ccc(CN2CCc3c(O)nc([C@@H]4CCN(C(=O)[C@H]5CCCO5)C4)nc3C2)cc1 247894648 OALOIAZRVIPDJN-DYESRHJHSA-N 438.528 2.244 0 40 IEAB O=C(O)CCN(CCc1ccccc1)C(=O)[C@@H]1OCC(=O)N[C@@H]1c1ccc(Cl)cc1 257288944 PWJMJPDAVVTDPF-NHCUHLMSSA-N 430.888 2.442 0 40 IEAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@]2(CCN(C(=O)Cc4ccccc4C)C2)C3)cc1 306123706 AUGUIEAYUGVTHX-AREMUKBSSA-N 444.535 2.088 0 40 IEAB COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604405310 YSROWBBGXAUAFH-MRXNPFEDSA-N 425.441 2.252 0 40 IEAB biogenic COCCn1cnc2c(N3C[C@@H]4CN(C(=O)Nc5ccccc5F)C[C@H]4C3)ncnc21 1888930684 MEEGSSZCJHJCNX-HUUCEWRRSA-N 425.468 2.212 0 40 IEAB CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)CCc1nc2cc(Cl)ccc2n1C 2037883923 ISKJPHDKQUBFEL-OAQYLSRUSA-N 428.924 2.049 0 40 IEAB COc1ccc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 3318590 BFKUQAGQAIOIMH-UHFFFAOYSA-N 425.441 2.297 0 40 IEAB O=c1c(NS(=O)(=O)c2cccs2)ccc2n1C[C@H]1C[C@@H]2CN(C2CCOCC2)C1 3841465 DNDSXQVJMVXMFD-LSDHHAIUSA-N 435.571 2.309 0 40 IEAB biogenic,in-vitro C/C=C/Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(OC)ccc2OC)n(C)c1=O 5252057 XSXYFJVQXQCNTM-UZYOAWRESA-N 425.489 2.278 0 40 IEAB O=C(O)[C@H]1C2C[C@@H]3C[C@H](C2)CC1(n1ncc(N2CCC4(CC2)OCCO4)c(Cl)c1=O)C3 9234679 HYXRIRSXTMQTLI-PUPWIPAESA-N 449.935 2.476 0 40 IEAB O=C(COC(=O)CCNS(=O)(=O)c1ccccc1)Nc1ccc(OC(F)F)cc1 9398306 KWCZDAIOVGXTOF-UHFFFAOYSA-N 428.413 2.138 0 40 IEAB C[C@H](NC(=O)[C@H](Cc1cc(=O)[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1)C(=O)O 9485596 VEJGHNSSFYPZQT-SGTLLEGYSA-N 441.871 2.112 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9847209 BTVAYYXGXIMYQE-UHFFFAOYSA-N 440.529 2.297 0 40 IEAB Cn1ccnc1[C@H](NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)c1ccccc1 10126451 OEEAQUVNKJIEAU-LJQANCHMSA-N 434.525 2.351 0 40 IEAB COc1ccc(-c2nnc3n(CCCc4ccccc4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 10967405 VXLHLLWTPZLKNH-UHFFFAOYSA-N 430.468 2.379 0 40 IEAB Cc1nccc(-c2sc(C3CCN(C(=O)CN4C(=O)NC(C)(C)C4=O)CC3)nc2C)n1 12186212 MFZXETKQQBADBX-UHFFFAOYSA-N 442.545 2.253 0 40 IEAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC(C)(C)N2CCOCC2)c1 12520948 CJBRQGNWEYPPQJ-UHFFFAOYSA-N 447.557 2.337 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 12690250 CZFYZQCOXIKFJN-INIZCTEOSA-N 445.541 2.231 0 40 IEAB O=C(NCc1ccccc1F)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12868430 JPSGYXUCAUUNIM-UHFFFAOYSA-N 434.489 2.314 0 40 IEAB C[C@]1(NC(=O)CSc2nnc(NCCc3cccs3)s2)CCS(=O)(=O)C1 13004667 FFJYRMHSDWBKPI-HNNXBMFYSA-N 432.618 2.040 0 40 IEAB O=C(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13057242 DHRPADUXBPZGCF-JXMROGBWSA-N 428.510 2.394 0 40 IEAB COc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1I 13612656 GAFLYHWVTVDWJN-UHFFFAOYSA-N 438.331 2.454 0 40 IEAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 16310192 RJROKYUHCCCCIF-UHFFFAOYSA-N 447.498 2.096 0 40 IEAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@@H](C)C(=O)Nc3nncs3)CC1)CC2=O 19080776 SPJMMVATZIBTPH-FKIZINRSSA-N 430.486 2.290 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19400109 BEQLTGSTNNVAPG-HXUWFJFHSA-N 444.495 2.126 0 40 IEAB O=C(c1cnc(N2CCOCC2)nc1CCNCc1ccnc2ccccc12)N1CCCC1 19697754 MBXUQGLTENOWIF-UHFFFAOYSA-N 446.555 2.430 0 40 IEAB COc1ccc(CN2CCN(CC(=O)N[C@@H](C)c3ccc4c(c3)OCO4)CC2)cc1OC 22920941 QGAIKMITOBDEPH-KRWDZBQOSA-N 441.528 2.428 0 40 IEAB CCOC(=O)C1=C(CSc2nnnn2Cc2cccs2)NC(=O)N[C@H]1c1ccco1 29744764 XRSUBJPVFXGSEF-HNNXBMFYSA-N 446.514 2.339 0 40 IEAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)C1 40120208 IEBFOKDJSYXAKG-CYBMUJFWSA-N 431.440 2.437 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3nnc([C@@H]4CCCO4)s3)n2)c(F)c1 49550855 JFTPPQQNJVJRAD-HNNXBMFYSA-N 431.449 2.400 0 40 IEAB Cc1nc(NC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)sc1C 72326405 DFBOLYHQRHKRSF-FKIZINRSSA-N 428.518 2.046 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N[C@H]3CCCC[C@H]3C)CC1)CNC2=O 72328021 JRJYJJIJSYACCC-MTJJIEKYSA-N 443.544 2.264 0 40 IEAB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)[C@H]1CCCO1 89942874 LMNVTENVGCBCGN-BHYGNILZSA-N 430.954 2.485 0 40 IEAB Cc1cc(S(=O)(=O)NCCn2nc(C(F)(F)F)n(C)c2=O)c(Cl)cc1Cl 90591502 CTGGQTHSCUPHOU-UHFFFAOYSA-N 433.239 2.194 0 40 IEAB COc1ccc(C(=O)N2CCC3(CC2)[C@@H]2CN(Cc4cccnc4)C[C@@H]2C(=O)N3C)cc1 96143573 PQTPCMKGLVORFK-FCHUYYIVSA-N 434.540 2.285 0 40 IEAB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4[C@@H]3Sc3[nH]c(=O)sc3C43CCCCC3)[C@H]2C1=O 101262040 FUPMLKHYFHMFNU-VOABVTHBSA-N 448.566 2.454 0 40 IEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 103125879 NVCNNCMUJUPELG-NHCUHLMSSA-N 438.524 2.352 0 40 IEAB COc1cc(CNC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc(OC)c1OC 220144981 CPIUXHNXUALCGY-OAHLLOKOSA-N 436.530 2.492 0 40 IEAB C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCCN2CCOCC2)n1 225905580 YBAMDBKTTSVSTP-ZDUSSCGKSA-N 432.516 2.493 0 40 IEAB NCCCCC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 257229903 FZYDZVXZCMDGAQ-PXNSSMCTSA-N 437.968 2.314 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)cc1 260746300 RDKDGGUJMVLUAL-KRWDZBQOSA-N 445.541 2.153 0 40 IEAB O=C(NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1)c1ccnc(OC2CCOCC2)c1 390827605 IGVAGRRBHXMTFK-KRWDZBQOSA-N 441.440 2.123 0 40 IEAB O=C1[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(Br)cc1Cl 409306638 QHXGSCNXDSRXDC-ZOPJHEKZSA-N 426.650 2.288 0 40 IEAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCC2(c3ccc(F)cc3)CCCC2)C1 585290996 YUSNFWWWZCTJBN-GGAORHGYSA-N 448.560 2.024 0 40 IEAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H]3CCCN(Cc4cccnc4)C3)CCOCC2)o1 1547139755 ZRBBBGDFHOENDB-LJQANCHMSA-N 441.528 2.268 0 40 IEAB biogenic O=C(CN1CCC[C@@]2(CCCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)C1)N1CCCC1 2056223229 LWULZSDANWQWRK-HSZRJFAPSA-N 447.601 2.111 0 40 IEAB CC(C)n1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C 932553 NFQIKYCHXUYDAS-UHFFFAOYSA-N 427.530 2.086 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCC1 6658673 NPFLXLYQVOPDPA-YJBOKZPZSA-N 429.517 2.358 0 40 IEAB Cc1nn(Cc2nc(N)nc(Nc3ccccc3)n2)c(C)c1S(=O)(=O)N1CCCCC1 9377561 GHTPTEBEUHDNII-UHFFFAOYSA-N 442.549 2.234 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)c1 9572653 NROPKSSXXYOHOK-UHFFFAOYSA-N 449.510 2.365 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 9783713 ITUHPHRWPBGZEH-AWEZNQCLSA-N 441.513 2.471 0 40 IEAB O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)NCc1ccccc1Cl 9857459 HROLEBSBWFVLFP-UHFFFAOYSA-N 426.839 2.145 0 40 IEAB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2ccccc21 11634355 LTNMHOJHZTZMSW-MRCUWXFGSA-N 431.539 2.485 0 40 IEAB CCOCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1cccc(C)c1)c(=O)n2C 12231894 SYNCEMZOMYFDCS-UHFFFAOYSA-N 436.516 2.092 0 40 IEAB COCCNC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 16992754 JYEMRHDHZUTXMW-INIZCTEOSA-N 446.504 2.282 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cccc3nsnc23)cc1C 19078214 ARZOZXHDSJZLIA-UHFFFAOYSA-N 448.526 2.158 0 40 IEAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4csnn4)nc32)c1 19698621 YJQJOTDZWUJTIA-UHFFFAOYSA-N 438.513 2.397 0 40 IEAB COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2 20612030 VKVVDPPQTRCHHN-INIZCTEOSA-N 442.468 2.360 0 40 IEAB biogenic C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc2)C[C@@H](C)O1 22313259 PSCVZMZFXACLSU-IYBDPMFKSA-N 442.541 2.333 0 40 IEAB O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1ccc(F)cc1 22908973 OZVSKBFWTYXFLW-UHFFFAOYSA-N 446.548 2.324 0 40 IEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N(C)c1ccccc1 23485793 BHEFECOIHWVNMW-UHFFFAOYSA-N 444.484 2.086 0 40 IEAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2=O)c1 32755448 CMFGOXRSUVBKRZ-OAHLLOKOSA-N 429.498 2.227 0 40 IEAB Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)N2CCOCC2)o1 32842208 IDAAXQZVWHGCJM-MGPUTAFESA-N 447.557 2.102 0 40 IEAB O=C(CCSc1ccc(S(=O)(=O)N2CCOCC2)cn1)N1CCc2ccccc21 32871187 LTIDHSOIQXFGDC-UHFFFAOYSA-N 433.555 2.174 0 40 IEAB COc1ccccc1/C=C1/SC(=O)N(CC(=O)N[C@H](CO)Cc2ccccc2)C1=O 33539532 FFBHFLJEPULARZ-DAQNXSASSA-N 426.494 2.451 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)c1 33784532 FFXQIRJAKLUUCW-UHFFFAOYSA-N 428.551 2.036 0 40 IEAB CN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)Cc1nc2ccccc2c(=O)[nH]1 35388162 ZATLTTNEHQACLY-LJQANCHMSA-N 434.496 2.490 0 40 IEAB COc1ccc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cc1F 40121679 FHIVVXYJVLLSHW-UHFFFAOYSA-N 428.530 2.493 0 40 IEAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(F)cc4Cl)cnc32)c1 40478173 NTEVMHQTOKGXEN-UHFFFAOYSA-N 442.838 2.476 0 40 IEAB COc1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)cc1S(=O)(=O)NC1CC1 57331727 KXWDWCHCTLUUTM-UHFFFAOYSA-N 435.571 2.155 0 40 IEAB CCOc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3C3CCCC3)cc2c1 57642705 UXNVHVJEFHZKGQ-UHFFFAOYSA-N 426.521 2.413 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)nn2)cc1 58163016 DEUBMSBYAHDZGL-OAHLLOKOSA-N 428.518 2.184 0 40 IEAB Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 69570309 MLRDJISBFYGUED-UHFFFAOYSA-N 429.477 2.285 0 40 IEAB CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 72294630 QIKGCYXTBYHCES-HNNXBMFYSA-N 435.956 2.292 0 40 IEAB COCCNC(=O)Cn1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cn1 72295496 WIHYLWLYTTUHFE-UHFFFAOYSA-N 425.445 2.052 0 40 IEAB C[C@H]1CN(c2ccc(NC(=O)N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)cc2F)C[C@@H](C)O1 72306254 VZDQJNAYQQPXAY-ALLJEULLSA-N 447.511 2.281 0 40 IEAB C[C@@H](C(=O)NCc1ccccc1F)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 89478916 RYKZSSLBJSLRGU-KRWDZBQOSA-N 428.508 2.238 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)c2cccnc2O1 89941262 AFQIEKPLDWTBGG-SNVBAGLBSA-N 447.332 2.224 0 40 IEAB CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCNC(=O)C[C@H]3C(F)(F)F)cc2)c1C 95396693 AMHSGPDOUONTHS-INIZCTEOSA-N 438.406 2.250 0 40 IEAB CN(C)[C@H](CNC(=O)c1nccc2c(S(N)(=O)=O)cccc12)c1c(F)cccc1F 95454038 ITHPAXLMGAKPFI-MRXNPFEDSA-N 434.468 2.193 0 40 IEAB COc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)cc1 96113331 OJCPZUDQYKWDKT-QZTJIDSGSA-N 442.516 2.055 0 40 IEAB biogenic,in-vitro CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223572666 ZAVVHMCGNBAPOV-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB COc1cccc(OCCNC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1 223671486 RUXNTWDXWKYIRF-UHFFFAOYSA-N 442.921 2.318 0 40 IEAB CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224798958 YCNSIMKGOKQNBX-UHFFFAOYSA-N 437.470 2.249 0 40 IEAB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccccc1Br 225697584 XYUCRBKDWKKDRY-FUNVUKJBSA-N 427.320 2.282 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)COc2ccccc2C)cc1N1C(=O)CCC1=O 225714758 VPKZXTDPTRTHKO-OAHLLOKOSA-N 432.498 2.403 0 40 IEAB CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225780952 CDKBZAKMVWHLLU-UHFFFAOYSA-N 446.916 2.362 0 40 IEAB Cc1n[nH]c(SCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1 226077570 MCSRSPIHDOCUOP-ZDUSSCGKSA-N 443.982 2.076 0 40 IEAB Cn1c(=O)c2ccc([C@H]3CCN(C(=O)c4cccnc4)C3)nc2n(Cc2ccccc2)c1=O 257304574 SMHJEZJPTRMZBY-IBGZPJMESA-N 441.491 2.168 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 2623636 WARHTGKDAPANGU-NRFANRHFSA-N 429.542 2.238 0 40 IEAB Cc1c(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cccc1-n1cnnn1 8705000 SYXBWNGVBVEKIU-ASSNKEHSSA-N 425.493 2.046 0 40 IEAB COc1ccc2[nH]cc(CCNC(=O)C(=O)N[C@H]3C(=O)N(C(C)C)c4ccccc43)c2c1 8764625 FRBNEIIMQFSNDO-OAQYLSRUSA-N 434.496 2.448 0 40 IEAB biogenic O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H](Cc1ccccc1)n1cnnn1 9252637 SBLOQLGRZGYMRQ-FQEVSTJZSA-N 440.529 2.270 0 40 IEAB CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 9593044 XXBHLXPWMNRUBG-AWEZNQCLSA-N 444.431 2.439 0 40 IEAB CN1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)c2C(N)=O)C1 9629921 VYZULYMRWIGXFX-UHFFFAOYSA-N 441.962 2.291 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2=O)cc1 9631884 VGWUFWMFCNWKAE-KRWDZBQOSA-N 443.525 2.008 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(OC)c3)CC2)cc1 9850709 MLSSIRQBCPHLKG-UHFFFAOYSA-N 445.483 2.190 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 11360115 DNZFXAAXKGWQQI-UHFFFAOYSA-N 438.509 2.009 0 40 IEAB CCc1nnc(NC(=O)CSc2ncc(C(=O)Nc3ccccc3)c(=O)n2C)s1 12236792 AOZHPGLQUHJKPH-UHFFFAOYSA-N 430.515 2.177 0 40 IEAB Cc1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(CC(=O)NCc3ccco3)c2=O)s1 12566057 UDXMAHXMHKJMKZ-HOYZAGQZSA-N 444.578 2.414 0 40 IEAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NC(=O)Nc1ccc2c(c1)OCO2 13127350 PXUMGBQHBNMYNU-UHFFFAOYSA-N 430.505 2.178 0 40 IEAB C[C@H](NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1 19357536 YKAVPVZCAOEBRJ-ZTRQFQNCSA-N 444.528 2.178 0 40 IEAB O=C(Cc1ccc(F)cc1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 19369379 AXUUOIVJLCKTJY-OAQYLSRUSA-N 436.487 2.388 0 40 IEAB COc1ccccc1C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CC(C)C)CC3)C2=O)C1 19699786 FHSVPRIRVDCRJW-GOSISDBHSA-N 442.560 2.342 0 40 IEAB Cc1nc(C2CCN(C(=O)CCC(N)=O)CC2)nc2c1CCC(=O)N2Cc1ccccc1 19739365 RNCFTVZRXBDTIL-UHFFFAOYSA-N 435.528 2.236 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)CCN(C)Cc3ccccn3)C2)nc2c1CCC(=O)N2C 19741574 ATPMJBGNHDLXJF-GOSISDBHSA-N 436.560 2.317 0 40 IEAB Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1[C@@H]1COc2ccccc2O1 21989594 NNGRRJUNULMNKY-INIZCTEOSA-N 438.469 2.228 0 40 IEAB COc1ccc(OC)c(CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 22227442 DSKXIYYOFHGNIJ-UHFFFAOYSA-N 432.542 2.390 0 40 IEAB CCn1c(SCC(=O)N2CCC(c3ccccc3)=N2)nc2cc(S(N)(=O)=O)ccc21 22311408 DPOWPOYGPKDYIK-UHFFFAOYSA-N 443.554 2.432 0 40 IEAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 22797681 QXQJMJJBFSXVTD-MFJULSPGSA-N 445.629 2.276 0 40 IEAB CCn1cccc(-c2nnc(SCC(=O)Nc3cccc(NC(C)=O)c3)n2C)c1=O 23136358 CZJBRJWTQRSTNQ-UHFFFAOYSA-N 426.502 2.353 0 40 IEAB CCc1ccccc1NC(=O)CN1CCN(CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1 23248921 RMWXRZAIRPWCJL-HOYKHHGWSA-N 441.576 2.263 0 40 IEAB COC(=O)C1(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CCCCC1 25169700 NPQZYIIDXNSODF-IYBDPMFKSA-N 438.546 2.090 0 40 IEAB CS(=O)(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2CCCO)cc1 32671809 GYDQYGVXNFWQAA-UHFFFAOYSA-N 447.538 2.125 0 40 IEAB O=C(c1ccccc1OC(F)F)N1CCN(C(=O)C2CCN(C(=O)C3CC3)CC2)CC1 32909926 DQZBFTMXTMUKAP-UHFFFAOYSA-N 435.471 2.221 0 40 IEAB CSc1ccccc1NC(=O)CN(C)C(=O)CN1CCN(C(=O)c2ccccc2)CC1 36385000 KBXYGZZTYCCPLB-UHFFFAOYSA-N 440.569 2.263 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCc2cccc(CN3CCCC3)c2)Oc2ccccc21 38831817 IQMSCCMCIKMKMK-OAQYLSRUSA-N 429.542 2.126 0 40 IEAB COC(=O)Nc1cccc(NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 58413283 RYRRPQKRXDZQSA-UHFFFAOYSA-N 426.477 2.120 0 40 IEAB COc1cc(CN2C[C@@H](C(=O)NC(C)(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)ccc1O 72334507 AOFMJALXJHHLMP-UQBPGWFLSA-N 437.540 2.472 0 40 IEAB Cc1nc2cc(C(=O)N3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)ccc2[nH]1 72338793 STWAMIOUDLDNOR-FQEVSTJZSA-N 425.514 2.454 0 40 IEAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 95458950 KQVZQEXCFGIVDV-QGZVFWFLSA-N 440.953 2.056 0 40 IEAB COc1ccc(N2C(=O)/C(=C\N[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c(OC)c1 101189225 PDDXXBCNVRDFIM-HIXWQLQUSA-N 442.493 2.008 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220227228 CBHWDOBPNIBXCO-ZDUSSCGKSA-N 436.486 2.284 0 40 IEAB COc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccccc3F)S(C)(=O)=O)n2)c1 220322070 BJYDEXYGKZVAGK-CYBMUJFWSA-N 448.476 2.355 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1)c1ccccc1 224773204 UTRDGLLNJFBFOR-UHFFFAOYSA-N 430.574 2.212 0 40 IEAB Cc1ccccc1-c1cccc(C[C@@H]2C(=O)N(C)CCN2S(=O)(=O)c2cn(C)cn2)c1 257228649 FURYCRKLRKFBLG-OAQYLSRUSA-N 438.553 2.470 0 40 IEAB NC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)n2N)sc2c1CCCC2 409152194 DPKFZTPZOPBBHP-UHFFFAOYSA-N 428.543 2.429 0 40 IEAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2ncccc2OCC2CCCCC2)c1 518328563 GOBRLAHLESSLME-UHFFFAOYSA-N 425.532 2.489 0 40 IEAB Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN2CCCC2=O)c2ccccc21 575444491 INQSIEMJZMMKAZ-GOSISDBHSA-N 428.533 2.353 0 40 IEAB COc1cc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2OC)cc(OC)c1 932178 WLRCZZNPWUBKCQ-UHFFFAOYSA-N 431.474 2.428 0 40 IEAB Cn1c(-n2ncc(N3CCN(C[C@H]4CCCO4)CC3)c(Cl)c2=O)nc2ccccc21 8973191 YFBXUUIQZILRMH-OAHLLOKOSA-N 428.924 2.074 0 40 IEAB CS(=O)(=O)c1ccc2nc(NC(=O)c3nn(-c4ccccc4)ccc3=O)sc2c1 9205815 MVYPUEUUUBOJAY-UHFFFAOYSA-N 426.479 2.498 0 40 IEAB CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 9806236 IUWXOCLHTZGHGO-IBGZPJMESA-N 429.542 2.465 0 40 IEAB Cn1nc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c2ccccc2c1=O 9952954 ZJVOKCBDWVSELE-UHFFFAOYSA-N 432.436 2.404 0 40 IEAB COc1cc(C(=O)Nc2nnc(CS(=O)(=O)c3ccccc3)o2)cc(OC)c1OC 10381655 NNZDNOCUCIVPPA-UHFFFAOYSA-N 433.442 2.322 0 40 IEAB CCn1nc(CC(=O)N2CCC[C@H](c3cc4nc(C)cc(O)n4n3)C2)c2ccccc2c1=O 12134421 XGCOLEBANMVWEG-INIZCTEOSA-N 446.511 2.422 0 40 IEAB CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)COC(=O)c1cnn(C)c1 12850062 BGZDEMYRSFCSGA-UHFFFAOYSA-N 434.518 2.169 0 40 IEAB COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1OC(F)F 13121446 NRTDKLPCEXHBJI-UHFFFAOYSA-N 426.441 2.443 0 40 IEAB COc1cccc(C(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3nc(C)nc(C(N)=O)c32)c1 13228027 QWXRRQCWNHUVMU-UHFFFAOYSA-N 435.415 2.020 0 40 IEAB C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(S(C)(=O)=O)cc1 14184802 NTBQUDDEBJRJGB-ZBFHGGJFSA-N 444.509 2.092 0 40 IEAB COc1ccc(C)cc1CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692685 BJCQEVWUBJHDKO-NRFANRHFSA-N 448.527 2.459 0 40 IEAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(S(=O)(=O)c2c(C)noc2C)CCO1 19703304 VSYJLLUXULPKFH-CYBMUJFWSA-N 436.515 2.023 0 40 IEAB COCc1ccc(C(=O)N2CC[C@H](c3ccnc4c(Cn5cncn5)c(C)nn34)C2)cc1 19707639 DSHJRYOMWCMLTO-IBGZPJMESA-N 431.500 2.454 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CCN(CCc4ccncc4)CC3)CC2=O)cc1Cl 20426989 JJHJEHIGOAICME-GOSISDBHSA-N 442.947 2.483 0 40 IEAB COc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC 20456225 ABTUDIZXCPZCJH-GOSISDBHSA-N 440.905 2.201 0 40 IEAB Cc1cc(C(=O)COC(=O)c2cn3c(C)cccc3n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 22616240 ZAULJLSZJCMSME-MRXNPFEDSA-N 429.498 2.460 0 40 IEAB O=C(CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N[C@H]1CCCc2ccccc21 22916410 WXYYDARZTMAVNP-FQEVSTJZSA-N 437.569 2.067 0 40 IEAB COc1cc(N2C[C@@H](C(=O)NCc3ccccc3CN(C)C)CC2=O)cc(OC)c1OC 30563977 YQQYFUCKEHGQHT-SFHVURJKSA-N 441.528 2.443 0 40 IEAB COc1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc(OC)c1OC 31582205 IJKYLTSZCJNRDI-QGZVFWFLSA-N 448.541 2.430 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1 35655090 SNWPOWGIBAZLNI-OAHLLOKOSA-N 443.529 2.397 0 40 IEAB COc1ccc(NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)cc1N1CCCCC1=O 48302353 JYKPKCZEYJCOHV-FXAWDEMLSA-N 446.548 2.071 0 40 IEAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)Nc3ccc(F)c(F)c3)c2=O)CC1 49409136 YVXBHRSHJVCUSL-UHFFFAOYSA-N 425.457 2.186 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2ccccc21)NC[C@@H]1CCCO1 57473060 PNVQJEJVPVBEHO-KRWDZBQOSA-N 427.888 2.160 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)CC2=O)cc1 71819896 UDSFFEIADKPJFK-HUUCEWRRSA-N 428.514 2.382 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@@H](C)C(=O)NC[C@@H]3CCCO3)CC1)CC2=O 72327711 FBCPUZNFSYFUEH-YGJVYZRNSA-N 430.501 2.095 0 40 IEAB COc1ccc(NC(=O)CN2CCCC[C@@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)cc1 72380726 JNPBCMZSSDTJFH-HXUWFJFHSA-N 427.505 2.056 0 40 IEAB COc1ccc2c(c1)cc(C(=O)N1CCC(c3nnsc3S(C)(=O)=O)CC1)n2C 72392499 YYMOVVVYOTYNHW-UHFFFAOYSA-N 434.543 2.462 0 40 IEAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1nnc([C@H]3CCCO3)s1)C=C2 95476341 BNDXTYVDNZFCDA-CQSZACIVSA-N 430.486 2.401 0 40 IEAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccccc1S(=O)(=O)C(F)F 96103594 IRLFNIBUIZCASB-UHFFFAOYSA-N 438.452 2.337 0 40 IEAB COc1cccc(NC(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@@]32CCN(C)C2=O)c1 96144074 JXABVRSFGDTSIY-HSZRJFAPSA-N 443.548 2.155 0 40 IEAB COc1ccccc1OCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 224478636 XJYUCPWNIPVYSP-SFHVURJKSA-N 440.905 2.071 0 40 IEAB CN1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CN(Cc3cccnc3)CCO2)CC1 257256815 KNAGDWNKQRWZBH-XMMPIXPASA-N 442.535 2.035 0 40 IEAB Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 538284810 GWLUCRHQLYTJCO-AEFFLSMTSA-N 431.482 2.485 0 40 IEAB CCN(CC)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575426097 MMPUDUGMLMZRFZ-SFHVURJKSA-N 439.603 2.145 0 40 IEAB CCOC(=O)NC(=O)C(=CNc1cccc(Br)c1)C(=O)NC(=O)OCC 2178886 JBOUQUNKXPGKDV-UHFFFAOYSA-N 428.239 2.290 0 40 IEAB CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)C(C)(C)C)CO[C@H]34)n2)cc1 5397820 YQEKRTRJGYFEEC-VNTMZGSJSA-N 425.533 2.319 0 40 IEAB biogenic,in-vitro CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 8752787 OHCVSISCKDFHTC-UHFFFAOYSA-N 447.538 2.290 0 40 IEAB O=C(O)CNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br 9057042 OGIGGBPLNQCSKI-AUWJEWJLSA-N 447.241 2.150 0 40 IEAB Cc1c(C)c2ccc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2oc1=O 9187107 DLILPNKYJUIWSJ-UHFFFAOYSA-N 430.482 2.061 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 9257598 UMHSNWPRJDVKCQ-UHFFFAOYSA-N 431.514 2.059 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccc(O)cc3)C2)cc1 9418945 GHXLSZHMKQPPIR-GOSISDBHSA-N 445.541 2.110 0 40 IEAB COc1ccc(NC(=O)Cn2ccn(-c3ccc(OC)c(OC)c3)c(=O)c2=O)cc1Cl 9808680 BNDSNQHCXHHNBE-UHFFFAOYSA-N 445.859 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2.241 0 40 IEAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1 21462370 IQGCUQBRXCUPBG-UHFFFAOYSA-N 430.367 2.291 0 40 IEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3cccc(OC)c3)CC1)C2=O 23654356 KQSZONIECYRSNI-UHFFFAOYSA-N 428.533 2.235 0 40 IEAB COc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)N2CCOCC2)cc1 23989895 GFLUNJAKNRQXFI-QFIPXVFZSA-N 448.523 2.353 0 40 IEAB CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3C)CC2)CC1 24611033 NWBPNCZEXUMYTI-UHFFFAOYSA-N 436.574 2.339 0 40 IEAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc2c(cc1Br)OCCO2 27550846 RDHZAFRHJQZQPL-UHFFFAOYSA-N 425.304 2.430 0 40 IEAB COC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 32894901 MYRMYWLFOZCGFS-UHFFFAOYSA-N 449.348 2.397 0 40 IEAB CCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C(=O)OCC)cc1Br 40156766 JGRAJBSAAMCBMD-UHFFFAOYSA-N 435.340 2.115 0 40 IEAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)Cc1nc(Cc2ccccc2)no1 48235403 WRZHJAOBAFWBBK-CQSZACIVSA-N 443.481 2.374 0 40 IEAB Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1 57589621 NFLAKQAYRUXFKQ-QFIPXVFZSA-N 430.512 2.417 0 40 IEAB O=S(=O)(NCCc1ccc2c(c1)OCO2)c1cc2c(cc1Br)OCCO2 60908635 GOSPYAIABJURDF-UHFFFAOYSA-N 442.287 2.470 0 40 IEAB O=C1COc2cc(NC(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)c(Cl)cc2N1 84338814 QKCVMSIYPYFPNA-UHFFFAOYSA-N 435.868 2.047 0 40 IEAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 100201114 HZZJUWRRGHAJJE-IRXDYDNUSA-N 441.557 2.116 0 40 IEAB COCCn1/c(=N/C(=O)c2cccc(Cl)c2)sc2cc(S(N)(=O)=O)ccc21 100872883 NMQDCLNADJNCDH-JZJYNLBNSA-N 425.919 2.391 0 40 IEAB COc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1C(=O)N1CCOCC1 224084458 WNSMZFWPLLBVMK-UHFFFAOYSA-N 432.542 2.467 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225207996 BETJVEIMRVMKNM-OAHLLOKOSA-N 437.949 2.124 0 40 IEAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(F)cc3)C2)C(=O)N1Cc1cccc(Cl)c1 225440464 ZTBZWZGUWHVWMR-UXHICEINSA-N 443.906 2.038 0 40 IEAB biogenic,in-vitro O=C1CCc2cc(S(=O)(=O)NCC3CCN([C@@H]4CCSC4)CC3)cc3c2N1CC3 225574352 IVMJUFQXILFQCY-GOSISDBHSA-N 435.615 2.018 0 40 IEAB O=C(CCc1ccc(F)c(Cl)c1)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1 575606570 PXINKPASUODMGN-UHFFFAOYSA-N 448.930 2.350 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3C[C@@H]4CCC[C@]4(COc4ncc(F)cn4)C3)ccc2N1 1888903960 MWIABBXMAUTCIS-YCRPNKLZSA-N 446.504 2.370 0 40 IEAB COCCn1cnc2c(N3C[C@@H]4CN(c5ncnc(C(C)C)c5F)C[C@H]4C3)ncnc21 1888913896 KWPNSIPOJDPCMB-GJZGRUSLSA-N 426.500 2.098 0 40 IEAB O=C(Cn1cnc(C2CC2)cc1=O)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087144469 XPYZNHOIBMKBDJ-PBHICJAKSA-N 433.434 2.272 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 3324171 JKHLKBPDLOCBGE-QFIPXVFZSA-N 440.525 2.218 0 40 IEAB COc1ccc2c(C)cc3nnc(SCC(=O)NCCN4C(=O)CSC4=O)n3c2c1 3446171 VDOJYLOVOGPBLM-UHFFFAOYSA-N 445.526 2.103 0 40 IEAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccccc2C)no1 8772900 LNHGBIAWDNQOFZ-KRWDZBQOSA-N 428.489 2.339 0 40 IEAB COc1ccc2c(c1)cc(C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)O)n2C 8792008 ZRLMZETXWKZLOA-RDJZCZTQSA-N 433.530 2.114 0 40 IEAB biogenic O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 9335185 LNFXJTOGWNQTAP-UHFFFAOYSA-N 432.860 2.424 0 40 IEAB COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1=O 9426561 ASWAUTKFGGEBME-SJORKVTESA-N 437.562 2.073 0 40 IEAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)cc2[nH]1 9477430 LLXOPPJJYFJKIG-UHFFFAOYSA-N 431.499 2.103 0 40 IEAB CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 9722620 DRZUDYGZEAEGBQ-CHWSQXEVSA-N 437.543 2.158 0 40 IEAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 9789279 GODVWUMJCDMUQP-OWJWWREXSA-N 435.480 2.419 0 40 IEAB CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(OC)c4)c3n2)cc1OC 10188003 BWYLLUVPMGYLHK-UHFFFAOYSA-N 435.440 2.291 0 40 IEAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCc2cccc3cccnc23)c1 11538934 PGYFOUOHZNHAAO-UHFFFAOYSA-N 427.482 2.076 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)cc1 12813973 QGKHHVBYJWXVSR-UHFFFAOYSA-N 433.549 2.489 0 40 IEAB Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)C[C@H]2CCCO2)c1 13503677 SGBOIZPOWJZTEC-HXUWFJFHSA-N 438.528 2.433 0 40 IEAB COc1cc(C(=O)NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc(OC)c1OC 13854735 NJXVHZSFJRNKHF-UHFFFAOYSA-N 441.484 2.221 0 40 IEAB Cc1ccnc2nc(C(=O)N3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nn12 14910123 QEJYKWNDRHDYIE-UHFFFAOYSA-N 425.802 2.462 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(I)c2)c1=O 15191482 QWWFMFWNBIHVPF-UHFFFAOYSA-N 449.248 2.426 0 40 IEAB O=C(Nc1ccccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 15935415 OSEQYELKCPZJJG-CQSZACIVSA-N 446.920 2.355 0 40 IEAB O=C(Cc1c[nH]c2ccccc12)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 16744413 OHAKAJPBAHYXCC-UHFFFAOYSA-N 444.509 2.354 0 40 IEAB CNc1nc([C@H]2CCCN2C)nc2c1CCN(C(=O)CC1(NC(C)=O)CCCCC1)C2 19707123 XNOICPCRXRTZAI-LJQANCHMSA-N 428.581 2.399 0 40 IEAB O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)N1CCSc2ccccc21 21624608 COXQFCAZTDMXOA-LBPRGKRZSA-N 425.557 2.278 0 40 IEAB CCOc1cccc(N(CC(=O)N[C@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)c1 22375444 SHCRTFQFYSMJGW-MRXNPFEDSA-N 436.530 2.444 0 40 IEAB CC1=C[C@@H](CNC(=O)COCC(=O)O)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 30881343 LNXQCVQCDKRBBC-UFYCRDLUSA-N 431.533 2.160 0 40 IEAB biogenic,in-vitro O=C(O)/C=C/C(=O)Nc1ccc2c([C@@H](C(=O)O)N3CCN(c4ccccn4)CC3)c[nH]c2c1 31818159 ZIGSKPHCQQLLMF-WMWRJIBUSA-N 449.467 2.090 0 40 IEAB CN1CCN(c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1 33158307 FVNQWLVOSLSWJX-LJQANCHMSA-N 442.585 2.478 0 40 IEAB COc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)C(F)(F)F)cc1 35099354 PQRKJNKIHJNOFV-TXPKVOOTSA-N 438.358 2.371 0 40 IEAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(Cc2csc(C)n2)CC1 40039966 UGCDJKZLFZSJAJ-UHFFFAOYSA-N 438.575 2.315 0 40 IEAB COc1ccc(CCN2CC(=O)N(c3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 55408547 XRBXLGJBKUXHIP-VQTJNVASSA-N 434.945 2.406 0 40 IEAB Cc1ccccc1C(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3nccn3C)[C@@H]2CO)cc1 72321504 MEJRBRPQHZGUFC-NFBKMPQASA-N 434.496 2.442 0 40 IEAB biogenic,in-vitro CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(OC)c(C)c2)nc2c1CNCC2 72372306 BKPDUPFXVMSNRO-GOSISDBHSA-N 431.562 2.397 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 78878549 HHNCIHAVWPPZGG-VBQJREDUSA-N 443.541 2.302 0 40 IEAB CCCCCCOCc1cccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)CN(C)C)c2)c1 84743144 SDVJVECINIVOAR-NRFANRHFSA-N 445.564 2.480 0 40 IEAB C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCN(CC(F)(F)F)CC2)C[C@@H](C)O1 89930285 UTMUAUSLRHSIGY-LMMKCTJWSA-N 448.574 2.482 0 40 IEAB CCN(CCC(=O)O)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 95969828 SZAYQVAQSWFYJR-UHFFFAOYSA-N 436.452 2.429 0 40 IEAB O=C(Cn1cnc2ccccc21)NCc1nn(CCN2CCCC2)c(=O)c2ccccc12 96024206 RSGMCUUQVHBUAP-UHFFFAOYSA-N 430.512 2.158 0 40 IEAB COc1ccc([C@@H](CNc2c(N3CCN(c4ccccc4)CC3)c(=O)c2=O)N(C)C)cc1 101698968 OMKJXSCXIUUEKP-OAQYLSRUSA-N 434.540 2.333 0 40 IEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2O1 103509937 HAESEPFMXRAYQX-HUUCEWRRSA-N 438.480 2.322 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223048620 UQIVFXIMGFUDIL-OAQYLSRUSA-N 445.585 2.477 0 40 IEAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN3CCCC3=O)cc2C)cc1 224226942 HKCPTAWEJNIKFM-UHFFFAOYSA-N 445.541 2.181 0 40 IEAB COc1ccc(N(CCCC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 225276608 XKIQJMJMYYPAQN-GOSISDBHSA-N 434.514 2.198 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 225941366 CTZHSYBLIPNGIN-ZHRRBRCNSA-N 444.509 2.484 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1cccc(Br)c1 408619256 LIFQTXMWGPRNLO-UHFFFAOYSA-N 438.303 2.200 0 40 IEAB CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccc3CN3CCOCC3)CCN2C)c1 585261901 NYXLVUBZMKPUHW-HSZRJFAPSA-N 436.556 2.007 0 40 IEAB Cc1cc(N2CC[C@](O)(CNCc3cccc(OCCN4CCCCC4)c3)C2)ncn1 585272196 JMPFPFKWQOEUBW-DEOSSOPVSA-N 425.577 2.381 0 40 IEAB CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CC[C@H](F)C2)CCO1 1541080131 ONEKCCXONGNGDY-YSIASYRMSA-N 433.503 2.488 0 40 IEAB Cc1nc(O)nc(O)c1CCC(=O)N(C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 1651185556 CSPLMEVBIRVRQW-ZDUSSCGKSA-N 430.288 2.334 0 40 IEAB CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NC(=O)c5ccco5)CO[C@H]34)n2)cc1 5397801 ZYOAVRIMWWVBJH-FMWKFLBASA-N 435.484 2.179 0 40 IEAB biogenic,in-vitro CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 8776058 FUWCKOHRFRSSSL-HNNXBMFYSA-N 448.497 2.462 0 40 IEAB CCCn1c(N)c(C(=O)CN[C@@H](CC)c2ccc(Br)cc2)c(=O)n(C)c1=O 8937546 UPBVACIEVCLGJT-AWEZNQCLSA-N 437.338 2.225 0 40 IEAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2=O)cc1 9036029 RGSBXQRQWXHXHA-MRXNPFEDSA-N 431.514 2.375 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)cc2)CC1 9217130 TTYDLSJIAOYOAN-NRFANRHFSA-N 441.553 2.160 0 40 IEAB COc1cccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCCO4)C2=O)c1 9387877 XARLFTHEBQBUAF-QFIPXVFZSA-N 425.441 2.262 0 40 IEAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 9510553 BRKLDEYYQPXSMA-BTYIYWSLSA-N 429.517 2.358 0 40 IEAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 10059502 MTRHTGAYLBMIGF-UHFFFAOYSA-N 438.531 2.153 0 40 IEAB CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 10274105 JVFOPOLLSRUOBC-CQSZACIVSA-N 435.912 2.119 0 40 IEAB CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)COc4ccccc4)CC3)sc2c1 10337301 BSHGYAMEZXAGCN-UHFFFAOYSA-N 431.539 2.427 0 40 IEAB CCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 11870426 YPORQIUJDDADGH-UHFFFAOYSA-N 432.546 2.116 0 40 IEAB COc1ccccc1CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12602714 VQNVTPGWQNNRQK-UHFFFAOYSA-N 430.530 2.081 0 40 IEAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)OCC(=O)N1CCNC1=O 13038258 RODWRVAWDCXMGJ-UHFFFAOYSA-N 437.481 2.121 0 40 IEAB Cc1cccc(NC(=O)[C@H](C)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 15523363 KFMJFLKASXOJEI-INIZCTEOSA-N 444.557 2.320 0 40 IEAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1OC 16681772 GAPURQUOLOGEPS-JXMROGBWSA-N 443.569 2.465 0 40 IEAB CCCCn1nnc(NC(=S)NC(=O)c2ccc(I)cc2)n1 17096752 NLAYQWNRIBLSPG-UHFFFAOYSA-N 430.275 2.205 0 40 IEAB COc1ccc(CCNC(=O)C2=CC(c3ccc(C)cc3)=NS(=O)(=O)N2C)cc1OC 20366896 MTOLLNBRLRRJHN-UHFFFAOYSA-N 443.525 2.234 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(OC)cc2)cc1 22227790 GAFJQLUTFDVWOR-UHFFFAOYSA-N 426.560 2.247 0 40 IEAB CC[C@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22363516 CIBLVATXFAGCSG-SFHVURJKSA-N 442.534 2.263 0 40 IEAB CC[C@@H](NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccc(OC)cc1 22372922 MLVMVJNOADUDGR-GOSISDBHSA-N 434.514 2.500 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 23351677 PLAZPOVHMSMMGD-UHFFFAOYSA-N 425.518 2.174 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 26620092 WVXCLDDQLHWOCZ-UHFFFAOYSA-N 430.574 2.362 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(OC)c(C)c1 28210007 HPFIVMBJENADBZ-QGZVFWFLSA-N 446.481 2.109 0 40 IEAB COc1ccc(Nc2nnc(SCc3ccc(OC)c(OC)c3)n(N)c2=O)c(OC)c1 28536028 WSHNLALOFMVBTB-UHFFFAOYSA-N 445.501 2.422 0 40 IEAB NC(=O)N1CCC[C@@H](C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)C1 40107834 DAJABYAQLVJANT-GDBMZVCRSA-N 426.439 2.276 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)CCC(=O)N2CCc3sccc3C2)c1 40156731 YNRWXCDMOBFWST-UHFFFAOYSA-N 449.598 2.125 0 40 IEAB C[C@H](O)[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCC(=O)N(C)Cc1ccsc1 48366099 PMHOUTAKUMVZNQ-GTNSWQLSSA-N 442.896 2.222 0 40 IEAB CCCCn1c(=O)c2sccc2n(CC(=O)NCc2ccc(OC)c(OC)c2)c1=O 57427298 PJGMLMFULQMGOF-UHFFFAOYSA-N 431.514 2.358 0 40 IEAB CS(=O)(=O)N1CCC[C@@H](NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 60064921 BVCATFSOUDIADV-UXHICEINSA-N 429.542 2.088 0 40 IEAB COc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)ccc1OCC(N)=O 72393139 AGXUJLJYYUXGNZ-GOSISDBHSA-N 449.511 2.084 0 40 IEAB CC(C)(C)OC(=O)N1CCN(C(=O)c2cscn2)[C@@H](CNC(=O)c2cscn2)C1 79019106 UVBNYLNLBZUZEV-LBPRGKRZSA-N 437.547 2.091 0 40 IEAB CC(C)C(=O)N1CC[C@@H](NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)C1 95966161 DATQCPNVUUCYOE-OAHLLOKOSA-N 434.514 2.249 0 40 IEAB CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)CC2)cc1 102404994 SDEYBRLBUGGYPZ-MMKMLUHNSA-N 446.569 2.385 0 40 IEAB CCCCOCCOCCOCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21 104530075 BYDMVSJSMATFEA-GGPKGHCWSA-N 445.626 2.068 0 40 IEAB Cc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 223990423 PBGCOJVEXKPBHL-UHFFFAOYSA-N 434.514 2.036 0 40 IEAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224106178 WONICKJUEQUWBR-HXUWFJFHSA-N 431.558 2.396 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccc(Cl)c2)no1)Cc1ccccc1 225071235 DBIOONFSHWBMCR-UHFFFAOYSA-N 434.905 2.468 0 40 IEAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 225193599 PNWWRUJGYSTVKD-KRWDZBQOSA-N 447.557 2.015 0 40 IEAB Cc1nc(N2CCC(NC(=O)c3n[nH]c(=O)c4ccccc34)CC2)cc(C(F)(F)F)n1 225726760 KAZKDUBJJBCMND-UHFFFAOYSA-N 432.406 2.439 0 40 IEAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCCSc1ncn[nH]1 226008390 IEGQAZXNCJHTMU-UHFFFAOYSA-N 441.554 2.176 0 40 IEAB C[C@H](NC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)[C@@H]1C[C@H]2CC[C@H]1C2 248382494 XBJZWMFOJYZFMH-XUIIQKLOSA-N 439.560 2.275 0 40 IEAB Cc1ncoc1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 257287375 PPQKIPSNZIMLPI-ICSRJNTNSA-N 426.517 2.057 0 40 IEAB Cc1nc2c(n1CC1CC1)CN(Cc1ccccn1)CC21CCN(S(C)(=O)=O)CC1 306132027 KVWPIRIFOOQRGI-UHFFFAOYSA-N 429.590 2.306 0 40 IEAB CCc1ccccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 408614414 BXXFKCJGHZXHKX-SJLPKXTDSA-N 439.512 2.116 0 40 IEAB COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(C)c(Cl)c1)CN=3)C(=O)N2 2262740 QXOJLRJNTBVPQT-ZCXUNETKSA-N 440.912 2.086 0 40 IEAB CCOC(=O)c1ccc(N2CN=c3s/c(=C\c4ccc(OCC)cc4)c(=O)n3C2)cc1 2299762 NVCPCGYRKCBNJG-MOSHPQCFSA-N 437.521 2.369 0 40 IEAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(S(N)(=O)=O)cc1 3534430 QCNGKQRBSKMRTD-CQSZACIVSA-N 433.505 2.203 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC[C@H]1c1ccc3c(c1)OCCO3)C2=O 9058131 XCYJUEWBMQWNSB-WBWVDOBWSA-N 442.516 2.127 0 40 IEAB COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1 9591280 AKEVNEMCXCNIGC-AWEZNQCLSA-N 430.844 2.268 0 40 IEAB COCCn1c(=O)c2c(nc3n(-c4cccc(OC)c4)c(-c4ccccc4)cn23)n(C)c1=O 9713306 HITHUTYYSWIRLB-UHFFFAOYSA-N 445.479 2.461 0 40 IEAB CN1C(=O)C(=C(Nc2ccccc2)SCC(=O)NCc2ccco2)C(=O)N(C)C1=O 9974011 SKMNFOODKPLJEJ-UHFFFAOYSA-N 428.470 2.003 0 40 IEAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1)c1cccs1 12538091 MEFCJZWXRAQVRS-FQEVSTJZSA-N 440.569 2.409 0 40 IEAB CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12874718 XIIBSDVOMUVKRA-DYALPIRYSA-N 440.500 2.207 0 40 IEAB biogenic CCOc1ccc(N([C@@H](C)C(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)cc1 13671906 YKMJYWQRDFTHST-SFHVURJKSA-N 425.595 2.478 0 40 IEAB O=C(COC(=O)/C=C/c1cc(F)cc2c1OCOC2)NC[C@H]1COc2ccccc2O1 15496904 WOWNXFMJRDBEEK-RTRPANQVSA-N 429.400 2.205 0 40 IEAB O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)Cc3cccs3)[nH]c(=O)c2C1 19343228 VCGCUPJOSLLCTE-GOSISDBHSA-N 426.542 2.422 0 40 IEAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN(C(=O)c4ccccn4)C3)nc2n(C)c1=O 19743330 VBLIZSNIJOJQCC-GFCCVEGCSA-N 447.417 2.066 0 40 IEAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)S(=O)(=O)Cc2ccc(F)cc2)cc(N(C)C)n1 19760354 FZYRJAFQJBAWRJ-LJQANCHMSA-N 449.552 2.327 0 40 IEAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccc(N4CCOCC4)cc3)ccc21 20215028 OWOBDKADWDLTJG-UHFFFAOYSA-N 430.530 2.480 0 40 IEAB CCOc1ccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4c3[nH]c3ccc(OC)cc43)c2=O)cc1 20611465 WXZITQLVZMISSE-OAQYLSRUSA-N 448.479 2.355 0 40 IEAB biogenic CC[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)C(=O)Nc1cc(C)on1 21760807 VMMDTSOLQDMMRJ-LSDHHAIUSA-N 439.465 2.236 0 40 IEAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1 23846743 NZLMFZLDBQOQEV-OAQYLSRUSA-N 429.542 2.165 0 40 IEAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 24245470 QNSXTYMDSMFTFD-UHFFFAOYSA-N 438.488 2.039 0 40 IEAB CNS(=O)(=O)Cc1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 24749312 YCXVGMNPSIVIDT-UHFFFAOYSA-N 430.574 2.200 0 40 IEAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 24992921 XBDPYRUYWAPLQE-GOSISDBHSA-N 427.526 2.256 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cnc4c(c3)c(C)nn4C)C2)cc1 25515035 MHMTXTWIIDLLJH-OAHLLOKOSA-N 443.529 2.325 0 40 IEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 35375251 AWQDYKVTPRVKJN-BMCOSUIVSA-N 437.471 2.293 0 40 IEAB COc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3ccc(F)cc3)c2=O)n1 38486679 UZDMGGCGKVSNCF-UHFFFAOYSA-N 433.403 2.282 0 40 IEAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccc4OC)ncn3n2)cc1 51316943 CLYXAMPRGBVQGG-UHFFFAOYSA-N 433.468 2.282 0 40 IEAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(OC)c(Br)cc2OC)C1 54363082 UPAHSWQKMYFAJZ-NSHDSACASA-N 436.324 2.430 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCN(CC(F)F)CC1 79015078 RCESLPFFMLYNST-UHFFFAOYSA-N 431.490 2.359 0 40 IEAB CCOC(=O)CN(CCOC)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 84793476 VVJARGNMZMBAHT-UHFFFAOYSA-N 438.480 2.177 0 40 IEAB CC(=O)N1CSC[C@H]1C(=O)OCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 95951133 XFXXQSVNCMZBFH-HNNXBMFYSA-N 426.541 2.178 0 40 IEAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3OC)CC2=O)c(OC)c1 138518990 HPZNLBMJLLDYAV-CQSZACIVSA-N 428.441 2.247 0 40 IEAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 169368035 AIWUHOMYUGXUCX-FUMNGEBKSA-N 440.477 2.031 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)CC1 220646315 SOSGNFRVYNCMPS-GOSISDBHSA-N 426.535 2.042 0 40 IEAB CCN(c1ccc(C(=O)Nc2nnc(SCC(=O)OC)s2)cc1)S(=O)(=O)CC 222927992 SLAMLYWWRZIZHZ-UHFFFAOYSA-N 444.560 2.232 0 40 IEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)s1 223606955 CPRNPVIGMRJRLR-CQSZACIVSA-N 437.591 2.499 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(n2cc(-c3ccccc3)nn2)C1 225663195 RMDWPYRKGXDDPJ-UHFFFAOYSA-N 437.525 2.427 0 40 IEAB C[C@H](NC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)[C@H]1C[C@H]2CC[C@H]1C2 248382493 XBJZWMFOJYZFMH-WWQIUVFTSA-N 439.560 2.275 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(Oc2ccncc2)C3)cc1 253473812 YSZYNXVKMXWWNI-IRXDYDNUSA-N 441.509 2.498 0 40 IEAB CC(=O)N1CCc2ncnc(-c3ccccc3)c2C[C@@H](C(=O)NCCc2cccnc2)C1 306129305 IAHHFDFDHNGTOP-OAQYLSRUSA-N 429.524 2.461 0 40 IEAB O=C1N[C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[C@@H](CCOc4ccccc41)O3)N(C1CCC1)C2 514287675 XRYUXRVOXJZIDG-WBKMXMRLSA-N 427.545 2.248 0 40 IEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cc(C)[nH]n3)[C@H]21 604419507 HGIUHZULQDLPHE-NRFANRHFSA-N 447.451 2.489 0 40 IEAB O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccnc2)n1)NCCc1ccc(F)cc1 1339775 BFGHXVAMJQVDMP-UHFFFAOYSA-N 445.458 2.485 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 1518415 RPLPGXXBCAAODI-UHFFFAOYSA-N 445.522 2.411 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 3324170 JKHLKBPDLOCBGE-JOCHJYFZSA-N 440.525 2.218 0 40 IEAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C1=O 3464640 LXLQGHCHBZJOJU-NRFANRHFSA-N 447.394 2.100 0 40 IEAB CCn1cc(C(=O)NCC(=O)N[C@H](C)CCc2ccco2)c(=O)c2cc3c(cc21)OCO3 9134709 CBTBIKNOURENSU-CQSZACIVSA-N 439.468 2.210 0 40 IEAB COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)nc(OC)n1 9354507 BIXJBRHVKMDQTO-UHFFFAOYSA-N 444.469 2.312 0 40 IEAB COc1ccc(OC)c([C@H]2C/C(=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)NN2)c1 9420394 PTCZYQHYGWNJJU-ZMMDAZFZSA-N 442.859 2.433 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)[C@H]2c2ccccc2)cc1 9426193 OXJXOCFJTVFKQI-HXUWFJFHSA-N 431.514 2.153 0 40 IEAB CCn1c(=O)c2sccc2n2c(CCCC(=O)NCc3ccc4c(c3)OCO4)nnc12 9431376 VTJHDDGVGJOICY-UHFFFAOYSA-N 439.497 2.493 0 40 IEAB O=C1CCC(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)=NN1[C@H]1CCS(=O)(=O)C1 9491043 NAAFSLLGYOOURZ-XJKSGUPXSA-N 446.554 2.125 0 40 IEAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)Nc1ccc2c(c1)OCCCO2 9671687 YTGAZVVDWFAZPO-UHFFFAOYSA-N 427.457 2.468 0 40 IEAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCc1ccccc1F 12004611 IWICDPRWCDKJTA-UHFFFAOYSA-N 428.507 2.243 0 40 IEAB CCN(CC)CCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12232978 KGZQJZYMEWVYOB-MRXNPFEDSA-N 426.546 2.077 0 40 IEAB O=C(CN1CCCC1=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 12541704 YAEOIXRTXSBJFK-UHFFFAOYSA-N 445.497 2.210 0 40 IEAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 12715159 XANMUTBUDJZLOM-GFCCVEGCSA-N 447.536 2.443 0 40 IEAB O=c1c(Cl)c(NCCCN2CCN(c3ncccn3)CC2)cnn1-c1ccccc1 12877828 PHPVSXNJXBQNRJ-UHFFFAOYSA-N 425.924 2.300 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 12978544 AVEBJHOMYISOFB-UHFFFAOYSA-N 447.601 2.087 0 40 IEAB COc1cc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc(OC)c1OC 15335071 BMSGVSMVYUCXLP-UHFFFAOYSA-N 434.514 2.490 0 40 IEAB COc1ccc(CN(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)c2csnn2)cc1 15936034 GWBMOGJJPRWDBP-UHFFFAOYSA-N 440.481 2.234 0 40 IEAB Cc1ccc2nc(COC(=O)CCNC(=O)CCC(=O)c3cccs3)cc(=O)n2c1 16047000 UOCHEBVPYLYIHM-UHFFFAOYSA-N 427.482 2.277 0 40 IEAB COc1cc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)nc(OC)n1 19550325 FAAYQOHSCAMVHU-LBPRGKRZSA-N 427.486 2.325 0 40 IEAB COCCN1CCN(C(=O)c2sc3ccccc3c2[C@H]2CN(C(C)=O)CCO2)CC1 19696879 OMPJMYGEMGFMSO-GOSISDBHSA-N 431.558 2.225 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 19702361 LURAKPNHRKAWGL-AWEZNQCLSA-N 440.525 2.001 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccn2)CCC3)C1 19706962 PCDLPKUPDBXTFO-LJQANCHMSA-N 436.560 2.017 0 40 IEAB COc1cc(NC(=O)C[C@@H]2N=C(NC(=N)Nc3ccccc3)N=C2O)cc(OC)c1OC 22607390 JEAMRGAAADANLW-AWEZNQCLSA-N 440.460 2.372 0 40 IEAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)NCCCN1CCOCC1 28226954 BKVDHWCRVYHWOO-LLVKDONJSA-N 427.265 2.372 0 40 IEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)C1 35344057 DPBSGVPVEAJXGW-RTBURBONSA-N 426.561 2.076 0 40 IEAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)NCCCc1ccccc1 57520270 PRZYBKFJSNJLBK-UHFFFAOYSA-N 436.541 2.396 0 40 IEAB O=C(Cn1nc(-c2cccs2)ccc1=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 61719695 LXNHFOUEVIJYIB-INIZCTEOSA-N 429.523 2.192 0 40 IEAB CCC[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1CC(=O)NC(C1CC1)C1CC1 79058977 CKZFEVZJEAEVAS-OAQYLSRUSA-N 430.637 2.382 0 40 IEAB CN1CC[C@]2(CN(c3ncccn3)CC23CCN(C(=O)NC2CCCCC2)CC3)C1=O 96144277 ZRFJIAWVLMKBPN-QHCPKHFHSA-N 426.565 2.270 0 40 IEAB COc1ccc(OCCN2CCN(CC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 96845422 XYNGQFTZCDRLHC-UHFFFAOYSA-N 438.572 2.040 0 40 IEAB COC(=O)/C=C1/C=CC=C[C@@]12[C@H](C(=O)OC)c1ccccc1[C@H](C(=O)OC)[C@@H]2C(=O)OC 104196163 OTPASNOGWCELDD-MTGJZWAHSA-N 440.448 2.214 0 40 IEAB Cc1ccc(CN(CC(=O)N(C)Cc2nc(-c3ccccc3)no2)S(C)(=O)=O)cc1 223449652 ZXWZLFZYLOZONG-UHFFFAOYSA-N 428.514 2.465 0 40 IEAB COc1ccccc1OCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 225142982 LWSUBNASYMUGLM-UHFFFAOYSA-N 448.526 2.465 0 40 IEAB O=C(CCCn1cccn1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257300385 RUBSCJGLGBIRCQ-VDKIKQQVSA-N 440.588 2.353 0 40 IEAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1 260561474 GEQJTLFZZYMALJ-HNNXBMFYSA-N 437.543 2.098 0 40 IEAB Cc1cc(OC2CN(C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)C2)n2ncnc2n1 618255556 FFZQIZJMPSLZMN-UHFFFAOYSA-N 430.509 2.060 0 40 IEAB CCn1c(O)nc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC3(C)C)ccc2c1=O 1536583413 OMICTJLKKHVSRG-MRXNPFEDSA-N 430.505 2.497 0 40 IEAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccccc4Cl)C[C@@H]23)n1 1549161374 GXVQUZLKUMNMOL-MRXNPFEDSA-N 428.880 2.366 0 40 IEAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN(C)CC(OC)OC 2292226 MRPNCWPXUNCSET-UHFFFAOYSA-N 428.283 2.206 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 2697308 CCLHTNIMQPXYAT-JKALPCAWSA-N 436.489 2.122 0 40 IEAB COc1cc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1NC(C)=O 4205024 FDSFCRYDMANLLW-GOSISDBHSA-N 431.470 2.109 0 40 IEAB COc1ccc2cc(CN(CCCN(C)C)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 6198480 PHJAHXNKAQJHDM-LJQANCHMSA-N 432.590 2.344 0 40 IEAB CN(C)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCc1ccco1 6198579 TZOFBSUZUPJEAN-UHFFFAOYSA-N 428.514 2.288 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 8724263 LNGSGWJSXCPGGZ-UXHICEINSA-N 447.557 2.395 0 40 IEAB 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IEAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(=O)OC)ccc3C(=O)OC)ccc21 225606482 MGFCQLBHCHQODC-UHFFFAOYSA-N 446.481 2.360 0 40 IEAB CCN(CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccccc1 226053765 OJACKDJJEDTFJX-UHFFFAOYSA-N 445.570 2.391 0 40 IEAB COCCN1CCN(C(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3O2)CC1 253595942 LGYOZQTWGYVOCF-DLQDVTGGSA-N 427.545 2.122 0 40 IEAB Cc1csc(Nc2cccc([C@@H]3CN(C(=O)Cn4nc(C)ccc4=O)CCO3)n2)n1 257260478 LDAJDRBGOKNRHE-INIZCTEOSA-N 426.502 2.055 0 40 IEAB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(=O)N1CCOCC1 408586568 AOGWSAUNJZWQPG-QGZVFWFLSA-N 430.526 2.454 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)OC)c1ccc2c(c1)OCCO2 408705249 ALLWJCDTFGMFAO-UHFFFAOYSA-N 434.470 2.039 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC[C@@H]2CCN(C3CC3)C2)cc1 595404601 XBYRQLUXVKYVFP-LAUBAEHRSA-N 433.574 2.033 0 40 IEAB O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)N1C[C@@H](CO)[C@H](CCO)C1 1159698622 UNDRAMXQURQHOY-KGLIPLIRSA-N 444.962 2.265 0 40 IEAB 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COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 9428720 SRHKMSMTTKGPGW-CLAROIROSA-N 443.459 2.495 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCCC2=O)cc1 9510081 HCHQMTSFRNJTLA-UHFFFAOYSA-N 429.498 2.087 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)CC1 9560612 OYWRTQMITHOHTI-UHFFFAOYSA-N 436.490 2.147 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10337770 LGAKNLYDZUGKGR-QGZVFWFLSA-N 447.557 2.473 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10506621 AROJZWXKEBNDJX-UHFFFAOYSA-N 448.405 2.405 0 40 IEAB COc1ccc(-c2cc(C(=O)NCc3cccnc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11906926 RFHKTGMKTDSKFH-KRWDZBQOSA-N 426.498 2.243 0 40 IEAB CC(C)CN(C(=O)COc1ccc(F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13141065 DTRJUXLXGKZTFZ-UHFFFAOYSA-N 440.475 2.374 0 40 IEAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2C)no1 13146258 SEXLVNNDFVHQFW-IAGOWNOFSA-N 439.468 2.458 0 40 IEAB 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CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 96242224 SEDMIRPKHUZIKS-IBGZPJMESA-N 428.577 2.028 0 40 IEAB CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(C(=O)Nc2cccc(OC)c2)CC3)C1=O 96262679 IOCNQCCIYQFVAJ-HSZRJFAPSA-N 428.533 2.410 0 40 IEAB O=C(NCCc1ccccn1)c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1 96267428 SHKCEGROMNXCGT-UHFFFAOYSA-N 427.512 2.423 0 40 IEAB Cc1nc2cc(-c3nccn3C)nn2c(N2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c1C 100177292 ZGVUORBMDQZILF-IAGOWNOFSA-N 432.532 2.499 0 40 IEAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1[C@H]1CS(=O)(=O)C[C@@H]1O 102730249 FLUXADHATCIBOK-JSGCOSHPSA-N 425.919 2.183 0 40 IEAB CC(C)(NC(=O)CCc1ccccc1)C(=O)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1 257219052 DFLFFMCDOSLOAF-FQEVSTJZSA-N 449.555 2.274 0 40 IEAB O[C@@H]1[C@@H](NCc2ccccn2)CO[C@H]1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 514289058 PLKLJDNAOXENBO-PCCBWWKXSA-N 436.478 2.141 0 40 IEAB biogenic,in-vitro CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)[C@@H]4CCC[C@@H]4C(=O)N4C[C@@H]5C[C@H]6C[C@H]5[C@@H]4[C@@H]6OC)[C@H]1[C@H]3C2 553324214 GMSJEEKRUSNIFB-OAMPQHSBSA-N 428.573 2.166 0 40 IEAB COc1ccc(OC)c(NC(=O)C(=O)[C@H](C(C)=O)c2nc3ccc(Cl)cc3[nH]c2=O)c1 1626543 YXNCNEACHWMYFR-QGZVFWFLSA-N 443.843 2.474 0 40 IEAB O=S(=O)(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)c1ccccc1 2694920 VKWRVYZQXKIUAN-UHFFFAOYSA-N 439.540 2.118 0 40 IEAB COc1ccc(N2C[C@@H](NC(=O)NCCN(C)Cc3ccccc3)CC2=O)cc1OC 4479855 NMQJWZXEVVJGLG-SFHVURJKSA-N 426.517 2.240 0 40 IEAB COc1cc2cc(CN(CCCO)C(=S)NCc3ccco3)c(=O)[nH]c2cc1OC 6239389 PZWOVYDHRDKHER-UHFFFAOYSA-N 431.514 2.397 0 40 IEAB Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 8590732 ZINVKJMHMZFDHT-HNNXBMFYSA-N 448.810 2.216 0 40 IEAB Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 9336830 VTIMMYOHQOXXHC-OAQYLSRUSA-N 448.527 2.480 0 40 IEAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2ccc(Cl)cc2)CC1 9570147 NZUHEDSTNTYJDW-UHFFFAOYSA-N 437.949 2.230 0 40 IEAB CCOC(=O)c1[nH]c(CSc2n[nH]c(=O)n2C[C@H]2CCCO2)c(C(=O)OCC)c1C 9669771 XYIYRPSXAQXRPE-GFCCVEGCSA-N 438.506 2.033 0 40 IEAB COC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]32)cc1 9675313 NDWPKLAUBYQPOC-MOPGFXCFSA-N 435.440 2.022 0 40 IEAB COc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1OC 9829803 SKRJMOYAQZXYPP-QGZVFWFLSA-N 442.491 2.480 0 40 IEAB O=C(CCc1c[nH]c2ccccc12)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9988989 CGKSARIIIIEHQG-UHFFFAOYSA-N 433.555 2.499 0 40 IEAB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)Nc1ccc2c(c1)OCCO2 10255271 IXFVGFIVZRMDBE-OAHLLOKOSA-N 443.525 2.413 0 40 IEAB COc1ccc(NC(=O)CN2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)c(OC)c1 12121609 JCFPTVIAQCMHJT-QHCPKHFHSA-N 425.485 2.299 0 40 IEAB CCn1nc(CC(=O)N2CCC[C@]3(C2)NC(=O)c2ccccc2O3)c2ccccc2c1=O 12183816 ZELUBNGMCNQPLR-DEOSSOPVSA-N 432.480 2.100 0 40 IEAB COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1 12480759 RGQHASRVOWEMHB-UHFFFAOYSA-N 438.488 2.342 0 40 IEAB Cc1ccc(N2C(=O)N([C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)[C@H]2C)cc1 12819909 RCMRPFKXQNQRLF-IAGOWNOFSA-N 438.484 2.118 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccnn1C1CCCC1 13120791 HGHVIVVHGZYAIO-UHFFFAOYSA-N 435.525 2.082 0 40 IEAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)N[C@@H](c2ccccc2)c2cccs2)n(C)c1=O 13128482 VIQOEQUKDPHXDM-HNNXBMFYSA-N 443.916 2.054 0 40 IEAB Cc1cccc(N2CCN(C(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)CC2)c1C 13566688 AFKLPAYLWVMNMH-UHFFFAOYSA-N 445.541 2.147 0 40 IEAB CSCC[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)O 13592381 OSYAYNHJLRXOSQ-HOTGVXAUSA-N 447.561 2.303 0 40 IEAB CCOC(=O)c1ccc(N2CCCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1 13816508 FBNGATJTDSOERR-UHFFFAOYSA-N 425.489 2.271 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 15391556 UVKVUFKNLCATRZ-QGZVFWFLSA-N 433.505 2.392 0 40 IEAB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1cc(Br)c[nH]1 15518557 NNWJMFFPUIBOCN-UHFFFAOYSA-N 430.642 2.057 0 40 IEAB Cc1ccc(Cl)cc1N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)CC1 17121192 IPJHJWMHSSLJFA-UHFFFAOYSA-N 430.940 2.368 0 40 IEAB Cc1nc(C)c(CC(=O)N2C[C@H](C(=O)N(C)C)[C@]3(COc4ccccc4C3=O)C2)s1 19560450 OLOHAGHTHOBNAJ-OPAMFIHVSA-N 427.526 2.111 0 40 IEAB COCCNC(=O)c1cc([C@@H]2CCN(Cc3cnc(N(C)C)nc3)C2)nc2ccccc12 19761370 KSBHGMNOWIIFEI-GOSISDBHSA-N 434.544 2.457 0 40 IEAB Cc1cc(C(=O)N2CC[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)nc(N)n1 19761685 LHFNVVFENGPPJS-INIZCTEOSA-N 446.511 2.018 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 21817268 NJGBEJVDYHBFCY-IBGZPJMESA-N 447.944 2.287 0 40 IEAB Cc1nnc(NC(=O)CN2CCC3(CC2)NC(=O)N(Cc2ccc(Cl)cc2)C3=O)s1 22714442 ZQTKEGYGJLPMTE-UHFFFAOYSA-N 448.936 2.025 0 40 IEAB CCn1c(SCC(=O)O[C@H](C(=O)NC(N)=O)c2ccccc2)nnc1-c1ccco1 23882414 GSEGKCVPIJCPSO-HNNXBMFYSA-N 429.458 2.130 0 40 IEAB C[C@H](OC(=O)c1cccc2c1O[C@@H](C)[C@H]2C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 32829490 YKWRDYVUZFAUST-ILXRZTDVSA-N 446.525 2.123 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)C1 32903826 SSOLIYWDGZDXDY-CVEARBPZSA-N 428.576 2.259 0 40 IEAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(CC(=O)NCCCOC(C)C)CC1 32909346 XWEZYCHGWNJAPU-FQEVSTJZSA-N 425.957 2.103 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(Cl)c1 33725262 HFHGLPDBIANLPV-UHFFFAOYSA-N 425.894 2.143 0 40 IEAB O=C(CSc1nnc(-c2cccc(Br)c2)o1)N[C@@H]1CCCCNC1=O 40127668 BLPWWDIDXNFNLA-GFCCVEGCSA-N 425.308 2.376 0 40 IEAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 58161307 URRPWSQDBBMZFO-RKCSUWQLSA-N 443.525 2.361 0 40 IEAB COc1ccc(CCN2C[C@H](C(=O)N3CCC(n4ccnc4)CC3)CC2=O)cc1OC 58439801 KWPNXTWWUQMRJN-GOSISDBHSA-N 426.517 2.155 0 40 IEAB O=S(=O)(c1ccccc1)N1CCN(Cn2ncn(CCc3ccccn3)c2=S)CC1 69966997 OZSKDGCECGYAIC-UHFFFAOYSA-N 444.586 2.016 0 40 IEAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)Cc2ccccn2)CC1 72335913 HROLRDBTIJOFHF-UHFFFAOYSA-N 443.573 2.214 0 40 IEAB NC(=O)[C@@]1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCCOC1 95444926 VDFYIOFLHOZEDK-QGZVFWFLSA-N 434.846 2.121 0 40 IEAB COc1cccc(NC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)NC(C)C)CC3)O2)c1 96144640 UMLQUMQHHWSEOQ-SFHVURJKSA-N 427.505 2.338 0 40 IEAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)C3(Cc4ccccc4)CCN(C)CC3)C2)ncn1 257259947 LASVFMMEXBQITR-RUZDIDTESA-N 437.588 2.139 0 40 IEAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)CC2=O)cc1 408651377 DHTGXXXUBPPJRR-QGZVFWFLSA-N 438.436 2.211 0 40 IEAB COc1ccc(NC(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)cc1 1549161887 PLQJFQPFBXDAGM-SFHVURJKSA-N 428.489 2.135 0 40 IEAB COc1ccc(CCNc2nc3c(c(=O)[nH]c(=O)n3C)n2C/C=C(/C)Cl)cc1OC 824767 MYBPKUNRUQGQOW-WQLSENKSSA-N 433.896 2.238 0 40 IEAB COc1cc2c(cc1OC)[C@@H]1C(=O)c3cc(OS(C)(=O)=O)c(OC)cc3[C@H]1N(C)C2=O 1589639 GPIZRQJCJKRCLG-RBUKOAKNSA-N 447.465 2.158 0 40 IEAB NS(=O)(=O)c1ccc(N/C=C2/C(=O)N(c3nccs3)C(=O)c3ccccc32)cc1 3274256 JXJTVGIAMUHVOD-LFIBNONCSA-N 426.479 2.431 0 40 IEAB Cc1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](n4cc(CN(C)Cc5ccccc5)nn4)CO[C@H]23)cc1 5399411 HPIKLMOODOUFTP-CJRSTVEYSA-N 447.539 2.356 0 40 IEAB biogenic,in-vitro CCOc1cc(N2CCOCC2)c(OCC)cc1N[C@@H](C)C(=O)N1CCN(CC)CC1 5902899 MHWPGOMUXOUQNJ-SFHVURJKSA-N 434.581 2.285 0 40 IEAB C[C@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(CCN4CCCCC4)c(=O)n3C)n2C1 8778520 ZYLDVQZIUCRGSV-KRWDZBQOSA-N 428.581 2.171 0 40 IEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1C 9126618 DLYGQBRGCOVGHG-GOSISDBHSA-N 441.509 2.399 0 40 IEAB COc1ccc(CCNC(=O)c2c(O)c3cc(OC)c(OC)cc3[nH]c2=O)cc1OC 9320178 SLVPWEZOVOGEQF-UHFFFAOYSA-N 428.441 2.241 0 40 IEAB biogenic CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)C(C)C)CC1 9320208 OYPDPMMOPWYHGV-IRXDYDNUSA-N 441.569 2.390 0 40 IEAB Cc1ccc(CNC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 9742847 MKPCUCZPKVUXGZ-FQEVSTJZSA-N 443.569 2.361 0 40 IEAB COC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)cc1 9745810 MAVCJZXQTPIRGV-UHFFFAOYSA-N 444.557 2.201 0 40 IEAB CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@H]1CCS(=O)(=O)C1 9952051 PNKNEDKZDQIBPL-SFHVURJKSA-N 448.566 2.087 0 40 IEAB O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 10220402 IFIIKRKQTDKFDJ-UHFFFAOYSA-N 426.498 2.028 0 40 IEAB COc1ccc(NC(=O)c2cnc(SCC(=O)Nc3cc(C)on3)n(C)c2=O)cc1 12236903 VNJMUHJSGYEGDR-UHFFFAOYSA-N 429.458 2.068 0 40 IEAB C[C@H]1CCc2c(sc3nc(SCC(=O)O[C@@H]4CCS(=O)(=O)C4)nc(N)c23)C1 12557556 NLJDWJCTPNUUMX-VHSXEESVSA-N 427.573 2.221 0 40 IEAB CCCCOCCCNC(=O)[C@@H]1CCC(=O)N1[C@@H]1OC(=O)c2c1ccc(OC)c2OC 12662093 IFHSVZMHIXSYIM-YCRPNKLZSA-N 434.489 2.187 0 40 IEAB biogenic C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O 12697875 JNAFRYPBGFZIGY-LAJNKCICSA-N 427.482 2.265 0 40 IEAB CCCCn1c(N)c(N(C(=O)[C@H]2COc3ccccc3O2)C2CCCC2)c(=O)[nH]c1=O 12804529 RZJYJALJPWOBSP-QGZVFWFLSA-N 428.489 2.035 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 12993348 RXOFVGDLDQQJDZ-UHFFFAOYSA-N 430.258 2.352 0 40 IEAB CNC(=O)NC(=O)[C@@H](C)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(C)cc1C 13018521 ZIFMYWJOHYPNKS-BEFAXECRSA-N 437.500 2.303 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1ccc2c(c1)OCCO2 13533106 OYGFBFLISYQPDK-UHFFFAOYSA-N 439.449 2.276 0 40 IEAB COCCn1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(C(=O)c2ccco2)CC1 19594008 UWSVKCIQDCRCHW-NRFANRHFSA-N 447.499 2.008 0 40 IEAB Cc1nn2c([C@@H]3CCN(C(=O)c4ccccc4)C3)ccnc2c1CN1CCC(C(N)=O)CC1 19707951 XSFBHICRZCECRO-HXUWFJFHSA-N 446.555 2.365 0 40 IEAB CN(C)CCOc1ccc(NC(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)cc1 19708110 OWWSXCXJENOQAM-UHFFFAOYSA-N 446.573 2.413 0 40 IEAB COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@@H](C)[C@@H]2[C@H]1O 20467017 BUFJXOBYTAXRDH-WLULSOSOSA-N 431.577 2.402 0 40 IEAB biogenic,in-vitro COc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)cc1 22530581 ACIWCYVMUYNPDG-UHFFFAOYSA-N 428.514 2.272 0 40 IEAB C[C@@]1(NS(=O)(=O)c2cc(Br)ccc2Br)CCS(=O)(=O)C1 23743423 VDDPXTSRKZRNSV-LLVKDONJSA-N 447.170 2.067 0 40 IEAB COC(=O)[C@@H](CN1CCN(c2ccccc2C)CC1)[C@](O)(c1nccn1C)C(F)(F)F 24927182 MLSOSWMSBLFINV-UZLBHIALSA-N 440.466 2.090 0 40 IEAB C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 26844045 VABREUUKVNSLOX-QGZVFWFLSA-N 430.549 2.122 0 40 IEAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 28982006 YGNNRAHDCRMTAH-DZCMZPKPSA-N 425.510 2.226 0 40 IEAB N=C(O)C1CCN(C(=O)CCC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CC1 32104365 ZVWMBMAMVMLUNI-UHFFFAOYSA-N 439.516 2.006 0 40 IEAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1 49025954 WJBURUHMLJPPFB-UHFFFAOYSA-N 434.500 2.034 0 40 IEAB CCCCCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 57128922 YTRGABZZFXTRDJ-UHFFFAOYSA-N 438.576 2.336 0 40 IEAB COc1cccc(NC(=O)C[C@H](CN2CCN(Cc3c(C)noc3C)CC2)C(=O)O)c1 61721794 NXJIZWJZHNUPSD-QGZVFWFLSA-N 430.505 2.147 0 40 IEAB O=c1c2cnc(N3CCN(c4ccccc4F)CC3)nc2nc(O)n1-c1ccc(F)cc1 67264277 PTABKRHLQWCLCH-UHFFFAOYSA-N 436.422 2.486 0 40 IEAB O=C1N[C@@]2(COC3(CCN(C(=O)c4ccc(Cn5cccn5)o4)CC3)C2)Nc2ccccc21 72325289 GBXMWXDCPBJKIQ-DEOSSOPVSA-N 447.495 2.471 0 40 IEAB CCCn1cc(NC(=O)C(=O)N[C@@H](CC(=O)OC)c2ccc(Br)cc2)cn1 79111201 SOGMCIQHYNOGNZ-HNNXBMFYSA-N 437.294 2.415 0 40 IEAB CCS(=O)(=O)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC(C)C)C2 96037166 MTQVKWHLMNMTAY-UHFFFAOYSA-N 430.592 2.158 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1OC 101169801 QXTDQFHPEQLLPL-MSOLQXFVSA-N 443.847 2.289 0 40 IEAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1OC 219694289 IAOCJGHAUHOKAX-UHFFFAOYSA-N 442.921 2.303 0 40 IEAB COc1ccc(CCN2C[C@H](C(=O)NC[C@H]3CCCN4CCCC[C@@H]34)CC2=O)cc1OC 230205083 BILVACWSJNEWCP-NJYVYQBISA-N 443.588 2.476 0 40 IEAB biogenic O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 245229746 FBEYRBZCIYJZCO-YTMMVNBISA-N 449.551 2.065 0 40 IEAB Cn1cc(C(=O)NC[C@H]2CC[C@H](c3c(C(=O)NCCO)sc4ncccc43)CC2)cn1 257300708 RVKCTSSTUUEVER-SHTZXODSSA-N 441.557 2.456 0 40 IEAB O=C(CCNS(=O)(=O)c1c(F)cccc1F)NCc1ccnc(-c2ccncc2)c1 390826312 HYCCZADDUZDQSY-UHFFFAOYSA-N 432.452 2.407 0 40 IEAB CCc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)cc1 408615173 MVEXUPMNSKRQKC-SJLPKXTDSA-N 439.512 2.116 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(Cc4ccccc4)C[C@@H]23)cc1 585106199 BUJSAQYKZVJCIH-YADHBBJMSA-N 439.581 2.396 0 40 IEAB O=c1ccc(-c2ccccc2)nn1C1CN(S(=O)(=O)c2ccc(-n3cccn3)cc2)C1 1775972245 FBHVYXJHJLESCL-UHFFFAOYSA-N 433.493 2.342 0 40 IEAB O=C(COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)Nc1ccc(F)cc1F 2659659 LPVIQKILKNVUGM-UHFFFAOYSA-N 440.424 2.250 0 40 IEAB O=C1CN(C(=O)COC(=O)CCS(=O)(=O)c2ccccc2Cl)c2ccccc2N1 3365655 AVVIPPRNQNIBAS-UHFFFAOYSA-N 436.873 2.032 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 3477254 NEBIVVABMWGJTM-MZNJEOGPSA-N 442.560 2.481 0 40 IEAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)o1 8687203 WKKKQSAKEGYORJ-HNNXBMFYSA-N 436.486 2.101 0 40 IEAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1S(=O)(=O)N1CCCCC1 9633508 JXEQCAQWUHACIB-UHFFFAOYSA-N 440.529 2.462 0 40 IEAB COc1cc(OC)cc(C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4)cnc32)c1 9822261 ATWWJCXFXOXHPU-UHFFFAOYSA-N 433.468 2.089 0 40 IEAB CCN(CC)CCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12 10233664 AEJKWHCAFNVSHW-UHFFFAOYSA-N 436.560 2.465 0 40 IEAB COC(=O)c1sccc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 10670579 ORHUSVFWMBOEAZ-UHFFFAOYSA-N 441.556 2.445 0 40 IEAB O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 11694111 UDSZBJVQNRAHME-UHFFFAOYSA-N 437.452 2.021 0 40 IEAB Cc1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)cc1 12467006 JFZBJMMPMDPUGX-UHFFFAOYSA-N 441.488 2.235 0 40 IEAB CCCCN(C(=O)c1c(CC)noc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12927167 YXBKRSGABQRCGW-UHFFFAOYSA-N 425.489 2.473 0 40 IEAB COCCN(C(=O)c1cccc(C(F)(F)F)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13135122 DHBRKASSXUUCGM-UHFFFAOYSA-N 428.411 2.087 0 40 IEAB CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 14198311 SOCSBHZTRDIWMB-JOCHJYFZSA-N 436.493 2.485 0 40 IEAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 19552873 OGDXNVLJGLQBHB-UHFFFAOYSA-N 427.505 2.493 0 40 IEAB COc1ccc(CC(=O)N2CCC[C@H](c3nc(O)c4c(n3)CCN(C)C4)C2)cc1OC 19590250 ZFJJUQXVBOKMNT-INIZCTEOSA-N 426.517 2.136 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)CCN1CCC[C@@H](C)C1)C2 19710896 QSHDKYIYONKPGY-QGZVFWFLSA-N 442.608 2.251 0 40 IEAB O=C(Nc1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCN(C3CCCC3)CC2)c1 19751396 WRHIWIHHNQMSEJ-UHFFFAOYSA-N 426.492 2.327 0 40 IEAB CNc1nc([C@@H]2CCCN2C)nc2c1CCN(C(=O)c1cccc(N3CCOCC3)c1)C2 19752887 RJWAWYLGMQNDGJ-NRFANRHFSA-N 436.560 2.320 0 40 IEAB CCOC(=O)c1nnn(CC(=O)Nc2ccc(Br)cc2)c1C(=O)OCC 20182502 AGBQSETZGLJHHT-UHFFFAOYSA-N 425.239 2.033 0 40 IEAB COC(=O)c1ccccc1-n1cc2c(c1-c1ccc(OC)c(OC)c1)c(=O)n(C)c(=O)n2C 20738032 FEMIYOHPGHJQLJ-UHFFFAOYSA-N 449.463 2.499 0 40 IEAB COc1nn(C)cc1C(=O)Nc1nnc(SCC(=O)Nc2nc(C)cs2)s1 21011226 XZFHQCKAVLJQBB-UHFFFAOYSA-N 425.521 2.028 0 40 IEAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N[C@@H](C)CN1CCOCC1 22485723 SVSNFYWJYQZKLC-ONGXEEELSA-N 427.265 2.371 0 40 IEAB O=C([C@H](c1ccccc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N1CCCC1 22915345 SIYCFMJFDQBSSQ-NRFANRHFSA-N 437.569 2.237 0 40 IEAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 27976356 REHPTIXENBNYAC-LLVKDONJSA-N 444.498 2.082 0 40 IEAB O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 30876974 PIIMEHIGJPXYJL-UHFFFAOYSA-N 427.526 2.350 0 40 IEAB C[C@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 32689196 FFHDZCMCBAVKCY-DZGCQCFKSA-N 441.488 2.028 0 40 IEAB O=C(NC1CC1)c1ccc(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cc1 36390785 PXYYSEBRZIMAQC-MOPGFXCFSA-N 427.501 2.499 0 40 IEAB COC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)N[C@@H]1c1ccccc1 57414321 FTWCVNSDTSSARX-GOSISDBHSA-N 430.505 2.020 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1=O 105577976 SJVGVPBNETUUHP-SBUREZEXSA-N 425.485 2.368 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)ccc21 225089454 OXNAGTCUYNVUES-UHFFFAOYSA-N 449.510 2.216 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 247748184 SYAJQMSNCWYZCA-FHHGAAIESA-N 445.523 2.276 0 40 IEAB O=C(c1cc2ccccc2[nH]1)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O 306133439 MLHVJQCDMXLZJT-QGZVFWFLSA-N 425.510 2.409 0 40 IEAB COCCNC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OC)C1=O 409208133 BEWJVZURPOYMLZ-JYRVWZFOSA-N 429.292 2.257 0 40 IEAB CCC(=O)N1CCC2(CCCCc3ccccc3OCCNC(=O)[C@H](C)NC2=O)CC1 643565103 SFKMRTHUIPDGTN-SFHVURJKSA-N 429.561 2.432 0 40 IEAB Cc1cc2c(c(=O)o1)[C@]1(C(=O)Nc3ccccc31)C(C(=O)OCc1ccccc1)=C(N)O2 705604 AZXZHKJFJFDRAZ-DEOSSOPVSA-N 430.416 2.493 0 40 IEAB biogenic COC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 3007753 LLCNHKRTZDKXIJ-UHFFFAOYSA-N 449.463 2.108 0 40 IEAB COCCNC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)cc1 9238865 BEMXAHSIBSTORR-ROUUACIJSA-N 425.514 2.475 0 40 IEAB CCCCN(C(=O)CSc1nc2ccccc2c2nc(C)nn12)[C@H]1CCS(=O)(=O)C1 9256003 NNKOEXUCPPZJDP-HNNXBMFYSA-N 447.586 2.494 0 40 IEAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1c(C)noc1C 9761745 PKBHQVAPHNBACG-UHFFFAOYSA-N 433.442 2.090 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cc1 11464777 VABSNNRONCWEFT-UHFFFAOYSA-N 443.447 2.323 0 40 IEAB COc1ccc(-c2cc(C(=O)NCc3ccccn3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11906921 BFQQXWNZSLBYHF-QGZVFWFLSA-N 426.498 2.243 0 40 IEAB C[C@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)NC[C@@H]1CCCO1 12554116 AKQVKENAUNRLCD-YOEHRIQHSA-N 435.525 2.019 0 40 IEAB Nc1nc(N)nc(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)n1 13163429 BMJFIJWBTRGFBE-UHFFFAOYSA-N 434.485 2.364 0 40 IEAB C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)C[C@@H](C)O1 13483508 OKELKRWGNXRJSN-CALCHBBNSA-N 447.539 2.244 0 40 IEAB NC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCC2 15882785 HYOYQJUHMOYLJH-UHFFFAOYSA-N 439.584 2.437 0 40 IEAB CCc1ccc2c(c1)[C@@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 16020062 ZUBIIHQUYPUKHA-KFGFINRWSA-N 425.529 2.073 0 40 IEAB COc1ccc(CN2CCc3c(O)nc([C@H]4CCN(C(=O)c5cnccn5)C4)nc3C2)cc1 19555660 GPUPHHGGFYNINQ-KRWDZBQOSA-N 446.511 2.169 0 40 IEAB CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2c(C)nn(C)c2OC)CCO1 19577963 XSKPHZJXOJTYIT-RUZDIDTESA-N 449.555 2.359 0 40 IEAB COc1ccccc1NC(=O)c1cnc([C@H]2CCN(C(=O)c3ccc(=O)n(C)c3)C2)nc1C 19766369 CRQGEVGIEZDIHH-INIZCTEOSA-N 447.495 2.374 0 40 IEAB COc1cccc(CCCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 22334149 KKQGJXVRIZPEGD-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB COc1cccc([C@@H](CNS(=O)(=O)c2ccc(OC)c(OC)c2)N2CCOCC2)c1 23108070 BSGUPFGBRDZYCP-LJQANCHMSA-N 436.530 2.064 0 40 IEAB Cc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 23428195 GYPHBQAJYWJQGQ-UHFFFAOYSA-N 431.558 2.272 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2nnc(S[C@H](C)C(=O)Nc3cc(C)no3)n2c1 25002964 DGJJQIADNVETHN-GFCCVEGCSA-N 438.535 2.176 0 40 IEAB C[C@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1 25100103 URVHTTRPZWYIBC-YJBOKZPZSA-N 436.464 2.496 0 40 IEAB CCN(CC(=O)NCC1(N2CCOCC2)CCCCC1)C[C@H]1COc2ccccc2O1 31174151 BEIWFNSHWQCLGM-FQEVSTJZSA-N 431.577 2.300 0 40 IEAB CCOC(=O)c1[nH]c(COC(=O)c2cccc(-n3cnnn3)c2)c(C(=O)OCC)c1C 32708018 ULEYUCADDGCZOG-UHFFFAOYSA-N 427.417 2.009 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCCN2CCOCC2)c1 40146765 UXZBEQHOROBGLI-UHFFFAOYSA-N 431.558 2.354 0 40 IEAB COc1ccc([C@@H]2CCCN2C(=O)C2CCN(c3cncc4nnnn34)CC2)cc1OC 95436642 XMZDQZVIDJYRDO-KRWDZBQOSA-N 437.504 2.117 0 40 IEAB CC(=O)N1c2ccc(S(=O)(=O)Nc3cn(C)cc(Br)c3=O)cc2C[C@H]1C 95468576 UKAFWEVXEAAPJE-SNVBAGLBSA-N 440.319 2.246 0 40 IEAB CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCC3CCOCC3)cn12 96156798 HSHDQEPGSKUZHL-OAQYLSRUSA-N 440.592 2.363 0 40 IEAB COC(=O)c1ccc([C@H]2[C@@H]3C(=O)NC(=O)[C@@H]3ON2c2ccc(Br)cc2)cc1 101797686 SZILRFRNINFUAK-HRCADAONSA-N 431.242 2.370 0 40 IEAB O=C1Nc2cc(Br)ccc2[C@@H]1CNc1cnn(C[C@@H](O)CN2CCCC2)c1 102217022 LIJDGOMOXLLJJO-RDJZCZTQSA-N 434.338 2.250 0 40 IEAB COc1cccc(N([C@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 220187315 KZSKYDPAXJYMSK-QGZVFWFLSA-N 446.573 2.240 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(N)=O)cc2)c(C)c1 222818440 ABCZZIDHOCDFJW-UHFFFAOYSA-N 433.530 2.071 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(F)cc1 224505035 TXOBXMTXDKSZLN-UHFFFAOYSA-N 436.505 2.104 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225192426 UJJLEAYIDUNQNK-GOSISDBHSA-N 431.558 2.233 0 40 IEAB Cc1nonc1CC(=O)N1CCC[C@@](C)(C(=O)N2CCC(COc3ccccn3)CC2)C1 257305796 SROPKBGXODRXAW-HSZRJFAPSA-N 441.532 2.262 0 40 IEAB Cc1ncoc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257318809 VPMFZPXGUQMXIJ-HFMPRLQTSA-N 427.545 2.411 0 40 IEAB COCCc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(C(F)(F)F)cc2)n1 604382206 KTOQDAWLCGBOMS-UAFMIMERSA-N 439.478 2.375 0 40 IEAB biogenic,in-vitro COc1cc2c(cc1OC)-c1[nH]nc(C(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)c1C2 604404003 HUGDQATXPKEXQA-XUWXXGDYSA-N 436.512 2.471 0 40 IEAB biogenic CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C)CC2)C12CN(Cc1ccncc1)C2 1549166742 HFDJLAYQMSESFN-QHCPKHFHSA-N 447.583 2.058 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(n3nc(C(C)(C)C)ccc3=O)CC2)cc1 1775968218 NEEHBKMUYKJPHG-UHFFFAOYSA-N 446.573 2.268 0 40 IEAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5ccc(C(F)(F)F)nc5)C[C@H]4C3)nn12 1888913315 LHPURQDSPPCKTJ-ZIAGYGMSSA-N 431.422 2.309 0 40 IEAB COCCn1nccc1C(=O)N1CC[C@H]2C[C@@H](CN3CCC4(CC3)CC(F)C4)O[C@H]2C1 2056226349 PPWLITSAIDGFPE-CUWPLCDZSA-N 434.556 2.363 0 40 IEAB O=C(NCc1ccc(F)cc1)[C@@H]1C[C@]2(CO1)CN(c1cc(C(F)(F)F)ncn1)CCO2 2056226679 XRXYZUHUAKGQDK-HNAYVOBHSA-N 440.397 2.315 0 40 IEAB COc1ccccc1/C=c1/sc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2c1=O 3636008 UJJMVTQLPUYHGK-GZTJUZNOSA-N 425.466 2.400 0 40 IEAB C[C@H](OC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)N1c2ccccc2NC(=O)C1(C)C 7834336 XVQUTHSORRQUSK-LSDHHAIUSA-N 427.501 2.473 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CN2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)cc1 8769276 ALGKAHRWHTVETA-UHFFFAOYSA-N 449.511 2.170 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)Nc1ccc(F)c(Cl)c1 9001534 BSWSCAHZCCSLDM-UHFFFAOYSA-N 439.834 2.433 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl 10453322 IFJKPCYUZWIXQL-UHFFFAOYSA-N 448.284 2.148 0 40 IEAB CCOc1ccc(CC(=O)N2CCC3(CC2)Nc2cc(OC)ccc2S(=O)(=O)N3)cc1 12142597 CBLWNKVUUMKMFX-UHFFFAOYSA-N 445.541 2.359 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(-c3ccoc3C)n1C)n2C 12529807 BMIGHLTXUZEXID-UHFFFAOYSA-N 429.506 2.213 0 40 IEAB CC(C)CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)cc2C1=O 12845824 RXMHJSOCGDHZOS-AWEZNQCLSA-N 443.525 2.467 0 40 IEAB CCn1c(=O)n(CC(=O)NCC(=O)Nc2ccccc2Br)c2ccccc21 12897590 SOSWIYKBDRDEGL-UHFFFAOYSA-N 431.290 2.340 0 40 IEAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1=O 12908537 FHMVJSOLTJWDRY-IVZQSRNASA-N 425.441 2.182 0 40 IEAB C[C@@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)N1c2ccccc2NC(=O)C1(C)C 12925172 RZBRDPQNDCNIKB-CQSZACIVSA-N 448.479 2.172 0 40 IEAB COc1ccc(OC)c2[nH]c(C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)cc12 13689270 SGUQYEVQVBAVER-UHFFFAOYSA-N 436.512 2.259 0 40 IEAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc21 14245179 CMIMBWNVPDDABW-CQSZACIVSA-N 434.448 2.396 0 40 IEAB CCCCc1ccc(N2C(=O)[C@@H]3[C@H]([C@@H](C)O)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 15956930 QWZGSPOLCCGYFU-KQCWWSFOSA-N 433.508 2.335 0 40 IEAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(OCC(N)=O)cc1)N(CCN(C)C)C3=O 16749892 GMEUJNRXDDPYJG-NRFANRHFSA-N 435.480 2.072 0 40 IEAB O=C([C@@H]1CCOC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349274 KLEIQXSPYQIWMK-UZLBHIALSA-N 426.492 2.167 0 40 IEAB COc1cccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1 19938165 DWOMYJGXLYHSHL-JXMROGBWSA-N 443.569 2.319 0 40 IEAB CCN(CC)CCn1c(S)nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2c1=O 20645477 JLSGZIGPKRKLSG-UHFFFAOYSA-N 446.573 2.006 0 40 IEAB O=C(CN1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1)Nc1ccccc1Cl 22919543 KNGHKHYZVAOPTD-UHFFFAOYSA-N 433.940 2.108 0 40 IEAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134757 CYGJLXMVADEAEQ-OAHLLOKOSA-N 428.443 2.052 0 40 IEAB CCOC(=O)[C@@H]1CSCCN1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 26134221 JZEDUHQAJFCLMD-IBGZPJMESA-N 439.537 2.420 0 40 IEAB COc1cc(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)ccc1NC(=O)c1cccnc1 26243034 YGPAXJVVGIDOAB-UHFFFAOYSA-N 444.451 2.231 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 28052731 SNOBXEYZWQZFGE-UHFFFAOYSA-N 426.491 2.257 0 40 IEAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 36395035 DWFBHLHENSKVNF-PKOBYXMFSA-N 428.510 2.240 0 40 IEAB Cc1noc(C2CCN([C@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)n1 40156391 DUXOVCLWSPRMEX-CQSZACIVSA-N 435.550 2.271 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 59292262 NDDPQCOWAXEYMF-KRWDZBQOSA-N 433.530 2.308 0 40 IEAB COc1ccc2cnn(CC(=O)Nc3nnc(Cc4ccccc4)s3)c(=O)c2c1OC 79493303 VGIFIKPNYSEWLT-UHFFFAOYSA-N 437.481 2.495 0 40 IEAB Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c1 89669092 JKJCKHNRCAPAQY-FQEVSTJZSA-N 438.572 2.480 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)N(CCCC(=O)OC)Cc2ccccc2)ccc1OC 95426798 BNCWRNNQGJVWOO-UHFFFAOYSA-N 434.514 2.199 0 40 IEAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 95476213 FVNACRJJLOPDPT-GFCCVEGCSA-N 429.472 2.280 0 40 IEAB CCc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(OC)cc4OC)[C@H]3C2=O)cc1 95481457 VCQJUXDAKRZTIZ-WOJBJXKFSA-N 437.456 2.198 0 40 IEAB CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1ccc(N)cc1 96521101 IUYKYMGKRGPIGO-VHSXEESVSA-N 434.093 2.221 0 40 IEAB CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101030778 JBEZDPHMTPJNGL-JYJNAYRXSA-N 426.542 2.211 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@@H]32)cc1 101168804 WWHDPDCERDVUFW-ZWKOTPCHSA-N 443.847 2.289 0 40 IEAB O=C(O)[C@H]1C2C[C@H]3C[C@H](C2)CC1(n1ncc(N2CCC4(CC2)OCCO4)c(Cl)c1=O)C3 101272378 HYXRIRSXTMQTLI-OIMIFLEUSA-N 449.935 2.476 0 40 IEAB COc1cccc(C(=O)NCC(=O)N2[C@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)c1 101323052 MRFVNPCUNCOEQD-ROUUACIJSA-N 442.537 2.421 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223209118 IMKKHSXINIBHEG-IBGZPJMESA-N 435.521 2.145 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223672602 LBPIGJDBLAPVAI-RLLQIKCJSA-N 425.529 2.190 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2-n2ccnc2C)cc1 223855485 KMVQUHIZIJIQEF-UHFFFAOYSA-N 428.514 2.126 0 40 IEAB CC(=O)NC1CCC(Cc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(C)CC3)n2)CC1 257264627 LVIUQLUGHMYZTH-UHFFFAOYSA-N 426.569 2.241 0 40 IEAB Cc1cc(-c2cccnc2)nn1CCNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 390826250 GINAEINBHJOKFT-UHFFFAOYSA-N 437.525 2.067 0 40 IEAB CC[C@H](C)[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@@H]23 514288193 UUHMOOKGLMRCGV-GBPVGQSDSA-N 444.491 2.159 0 40 IEAB biogenic,in-vitro CNC(=O)[C@@H]1CN(C(=O)c2cccc(Cn3ccnc3C)c2)CCN1Cc1ccccc1 585261736 CWWRCMQELAMSRW-QHCPKHFHSA-N 431.540 2.312 0 40 IEAB O=C(NCC1(N2CCOCC2)CCSCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1775973429 BMRINPCQWVVCHJ-UHFFFAOYSA-N 447.479 2.238 0 40 IEAB NC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)C1(c2cccc(F)c2)CCOCC1 1848353574 IJKWNKMSQOMYLM-OAQYLSRUSA-N 425.504 2.072 0 40 IEAB Brc1ccc(CCN2CCN(c3ccnc(N4CCOCC4)n3)CC2)cc1 1889139056 GBJNUDUAZOSYHK-UHFFFAOYSA-N 432.366 2.440 0 40 IEAB CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 3217182 FIKJMOZOAKVRGH-UHFFFAOYSA-N 427.478 2.479 0 40 IEAB CC(C)(CC(=O)N1CCC(C(N)=O)CC1)CC(=O)N1CCN(c2ccccc2F)CC1 6324293 COQQYTWIKLQCFD-UHFFFAOYSA-N 432.540 2.005 0 40 IEAB O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)NCc1ccco1 9096073 FOWBGWCDBUWWRN-UHFFFAOYSA-N 426.502 2.453 0 40 IEAB CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)NCc2ccc(F)cc2)C(C)C)CC1 9109718 FEFXTOZCHYSOSN-SFTDATJTSA-N 448.583 2.195 0 40 IEAB biogenic C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCCCO2 9216858 CUMKXLDMQFNJPU-AWEZNQCLSA-N 448.497 2.315 0 40 IEAB Cc1ccnn1-c1ccc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 9216911 QJUDPVKYBCWARP-JOCHJYFZSA-N 432.480 2.305 0 40 IEAB Cc1cc(NC(=O)CSc2nc3nccnc3c(=O)n2Cc2ccc(F)cc2)[nH]n1 9405330 UZKKLPWPWVWMIT-UHFFFAOYSA-N 425.449 2.136 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)CN1C(=O)N[C@@]3(CCCc4ccccc43)C1=O)CC2 9712418 CKMXAIDGIICORC-RUZDIDTESA-N 449.507 2.372 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NCc2ccccc2)cc1 9744633 ISAIGCLCMPMSQG-HXUWFJFHSA-N 443.569 2.361 0 40 IEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2ccsc2)c(=O)[nH]c1=O 9764958 PWFWUPJAJCOYHX-BQYQJAHWSA-N 426.498 2.073 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)NCc3ccc(C)c(F)c3)CC2)cc1 10228344 QTDSAYFKOWBZTB-UHFFFAOYSA-N 433.549 2.455 0 40 IEAB CON(C)S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 10446665 GQFCFMDJHFAIPU-UHFFFAOYSA-N 431.514 2.359 0 40 IEAB CN(C)C(=O)[C@H]1CN(CCOc2ccccc2F)C[C@@]12CCc1ccccc1C(=O)N2 12125813 XBXYBTXBVHPMOO-DVECYGJZSA-N 425.504 2.340 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)NC1CCCCC1 12887096 ZSYNTKLCDAWLSK-UHFFFAOYSA-N 444.395 2.204 0 40 IEAB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1 15673957 DUXHHDFWOSCKBZ-APWZRJJASA-N 447.488 2.499 0 40 IEAB biogenic,in-vitro NS(=O)(=O)c1cc(C(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)ccc1Cl 16045310 KIASXCLUYNETQB-UHFFFAOYSA-N 440.949 2.477 0 40 IEAB Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21 17135985 PAWBIWYHNPRHLW-UHFFFAOYSA-N 444.447 2.282 0 40 IEAB CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCN(C(=O)C5CCC5)C4)nn3c(O)c2C1 19085978 GZFRFELTXHEORS-INIZCTEOSA-N 425.533 2.482 0 40 IEAB CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)c3cc(C4CC4)on3)n2)CC1=O 19697421 AFJRPFAYSRNXKH-HNNXBMFYSA-N 426.521 2.405 0 40 IEAB CNc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)nc2c1CCN(C(C)=O)C2 19710948 OCZORIIOLALEPF-UHFFFAOYSA-N 441.507 2.347 0 40 IEAB Cc1oc2cc3oc(=O)c(CC(=O)N(C)CC(=O)N4CCN(C)CC4)c(C)c3cc2c1C 20646445 FLFVQLUQWSATIS-UHFFFAOYSA-N 439.512 2.239 0 40 IEAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c1OC 22514439 KVQPUUDCQIRVJQ-CMDGGOBGSA-N 434.470 2.304 0 40 IEAB O=C(CN1CCN(CC(=O)Nc2ccc3c(c2)OCCCO3)CC1)Nc1cccc(F)c1 22790986 BYTFVCRGYFIVJV-UHFFFAOYSA-N 442.491 2.182 0 40 IEAB COc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccco4)c3=O)n2)cc1OC 23125897 VACYCTMZPPIRKK-UHFFFAOYSA-N 436.424 2.492 0 40 IEAB COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(C(N)=O)CC2)cc1OC 23157100 KTERKDTXAKGNRF-INIZCTEOSA-N 431.518 2.109 0 40 IEAB Cc1ccc(N(Cc2ccco2)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 23270781 WYGNSAYWEGSTMM-KRWDZBQOSA-N 429.498 2.287 0 40 IEAB C[C@@H]1C[C@H](OC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)C(=O)O1 32736378 MKWQZKTYUSNPTJ-UZLBHIALSA-N 444.509 2.058 0 40 IEAB O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCC1 35388292 NCSHHQQOGZFUAU-NRFANRHFSA-N 431.533 2.496 0 40 IEAB CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)cc1 35897748 SDEYBRLBUGGYPZ-ZFMNYDKASA-N 446.569 2.385 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 36037042 VFGRWTKXCIVEPU-GUYCJALGSA-N 426.336 2.266 0 40 IEAB Cc1ccc(CSc2nc(CC(=O)N3CCN(S(C)(=O)=O)CC3)cs2)cc1 36709194 NNQBRRQDJWQYQL-UHFFFAOYSA-N 425.601 2.390 0 40 IEAB O=C(NCCNS(=O)(=O)Cc1ccccc1)Nc1cccc(N2CCCCC2=O)c1 48301187 WEIZAUQGAJEYJO-UHFFFAOYSA-N 430.530 2.445 0 40 IEAB COc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)cc1NC(C)=O 59371331 AOMAGJBKXDYBGK-UHFFFAOYSA-N 431.470 2.459 0 40 IEAB O=C(NCc1cccc(N2CCCC2=O)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 71850229 XUVNMEZCNSSTSD-QGZVFWFLSA-N 433.555 2.344 0 40 IEAB COc1cc(I)c(Cl)cc1C(=O)NCc1nnc2n1CCC2 83915566 CIQMEMJTHCPWMO-UHFFFAOYSA-N 432.649 2.421 0 40 IEAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2cc(C)ccc2OC)cc1F 95452570 OPTRCMHNIHRVAW-UHFFFAOYSA-N 430.523 2.425 0 40 IEAB CCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)CC1 95948807 OYEDTQXZDQCFFM-UHFFFAOYSA-N 432.424 2.285 0 40 IEAB Cc1cc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)c(C)o1 96083067 OMXCRYJLFXGBBY-XXBNENTESA-N 427.549 2.073 0 40 IEAB C[C@@H]1CCCN(c2ncc3c(n2)[C@H]2CN(C(=O)c4ccccc4)C[C@H]2S(=O)(=O)C3)C1 96251982 YWMYTIXFKXNNHF-AYOQOUSVSA-N 426.542 2.250 0 40 IEAB CCOc1ccc(CN2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)cc1 97160113 SVEFMSXPECZKSZ-URVUXULASA-N 446.617 2.455 0 40 IEAB COc1ccccc1[C@@H](C)N(C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 97674830 XQGIMGAJTJMOLQ-MRXNPFEDSA-N 436.512 2.062 0 40 IEAB CNC(=O)OCC1=C(COC(=O)NC)[C@@H]2O[C@@H]1C(C(=O)OC)=C2c1ccc(Cl)cc1 104214931 GSWWHOPYIUGNCK-IRXDYDNUSA-N 436.848 2.056 0 40 IEAB CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 222750072 ZCDCDTKXRCCMSB-SFHVURJKSA-N 442.497 2.312 0 40 IEAB CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)ccc1OC 222914076 SXJOQIDVLVDPAS-UHFFFAOYSA-N 445.541 2.411 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)s1 224626197 CVVVFFSCKHVWLT-UHFFFAOYSA-N 429.955 2.359 0 40 IEAB COC(=O)c1cc(NC(=S)N2CCN(C3CCSCC3)CC2)cc(C(=O)OC)c1 225216968 VJSHPFUWEZVJKL-UHFFFAOYSA-N 437.587 2.470 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(CC(=O)N4CCCC4)cc3)ccc21 225843028 GBLOYLIKOBJESW-UHFFFAOYSA-N 427.526 2.426 0 40 IEAB O=C1CCCCCN1CC(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 257230105 GAVWNUCNOYCGID-OAQYLSRUSA-N 444.507 2.473 0 40 IEAB O=C1CCCN1CCOc1ccc(C(=O)N2C[C@H](O)[C@H](Cc3cn4cccc4cn3)C2)cc1 257274970 NNLGHBUFTMKYKK-XXBNENTESA-N 448.523 2.011 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H]3COc4ccccc4O3)C2)cc1 260890309 BUGXSIFFBHIWLI-ROUUACIJSA-N 430.526 2.352 0 40 IEAB COc1cccc(N2C[C@H](C(=O)N3CC[C@H](c4ccccc4)S(=O)(=O)CC3)CC2=O)c1 390831708 UHEYSVDLVDCUSE-WIYYLYMNSA-N 442.537 2.437 0 40 IEAB CCOc1cc(OCC)c(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1Br 408549657 WISJCXWRNHHRKS-KPKJPENVSA-N 427.251 2.312 0 40 IEAB NC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 409005315 HPKVFGOTEXUCJQ-UHFFFAOYSA-N 449.960 2.255 0 40 IEAB C[C@H]1CN(CC(=O)N2CCN(C)C(=O)[C@@H]2Cc2ccc(-c3cccnc3)cc2)C[C@@H](C)O1 409412832 PRTBAUBOHHBVDF-YYDVJCTNSA-N 436.556 2.070 0 40 IEAB CS(=O)(=O)N1CCC(c2nnc3sc(-c4cncc(Br)c4)nn23)CC1 1501040468 SKVRYGOSKZXNED-UHFFFAOYSA-N 443.352 2.149 0 40 IEAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@@H](CNC(=O)c1cccc(Cl)n1)OC2 1614940988 XFPQWSDJAGOLRR-HNNXBMFYSA-N 439.903 2.270 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)c1 2661380 MBXKEDHPYWRDHD-IBGZPJMESA-N 435.546 2.381 0 40 IEAB COc1ccc(NC(=O)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccccc4)CO[C@H]23)cc1 4259711 NNVNWRRUICNGNV-INDMIFKZSA-N 438.444 2.003 0 40 IEAB biogenic,in-vitro COc1ccc2c(c1OC)C(=O)N1[C@H]2SC[C@H]1C(=O)NCc1ccc2c(c1)OCO2 8952168 AJMPQQBPNZTMLF-ZSEKCTLFSA-N 428.466 2.319 0 40 IEAB biogenic Cc1cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)CC(C)(C)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039837 AIGHUDDSVIQSSC-OCCSQVGLSA-N 426.521 2.022 0 40 IEAB CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 9489699 PRTWIHVNEIBZOT-OAQYLSRUSA-N 443.569 2.449 0 40 IEAB CCCCNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 9818564 GZKQYRWTZYNHII-SNVBAGLBSA-N 444.859 2.485 0 40 IEAB CC(=O)N1CCC[C@@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)NCc2nccn2C)C1 12087519 QUFGGVQJMNQDIC-CVDCTZTESA-N 441.507 2.387 0 40 IEAB Cc1noc(C)c1C(=O)N1CCC(c2nc(N3CCCC3)ncc2S(C)(=O)=O)CC1 12133279 DBKUYLAZCSAHMB-UHFFFAOYSA-N 433.534 2.105 0 40 IEAB O=C(Cn1c(=O)n2nc(-c3ccco3)nc2c2c3c(sc21)CCCC3)N1CCOCC1 13733069 YBPSJXJMWLNNAY-UHFFFAOYSA-N 439.497 2.103 0 40 IEAB NC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)cc1 14113399 BCZIGNRNHARXKJ-LJQANCHMSA-N 441.484 2.453 0 40 IEAB COCCn1c(S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1ccncc1 15852613 LPODWRXPGJPKSX-LBPRGKRZSA-N 439.501 2.275 0 40 IEAB O=S(=O)(c1ccccc1)N(c1cccc(-n2cnnn2)c1)S(=O)(=O)c1ccccc1 17043979 VIKQQEHOGJLASV-UHFFFAOYSA-N 441.494 2.247 0 40 IEAB CC(C)C[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19446841 GSFAYDRYMNISSC-UXHICEINSA-N 442.564 2.486 0 40 IEAB CN(Cc1cc(N(C)C)nc([C@@H]2CCCCN2)n1)C(=O)CCn1c(=O)oc2ccccc21 19709881 ZYIBKYIAOYGUGD-KRWDZBQOSA-N 438.532 2.314 0 40 IEAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2Cl)N2CCN(C)CC2)cc1 22795442 UAUMSSBJYMXZOH-HXUWFJFHSA-N 430.936 2.392 0 40 IEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 25378624 DPYANTLAOFTVRG-HOCLYGCPSA-N 431.352 2.288 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 25405222 KSCWUZIDKCFLHF-NRFANRHFSA-N 444.553 2.061 0 40 IEAB Cc1ccccc1-n1ncc(C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1C1CC1 29186904 MVEUAMUGPSBEGR-IRXDYDNUSA-N 446.573 2.227 0 40 IEAB [CH2-]c1c2ccccc2nc(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)[n+]1C 32739637 IPKQPRBTQRCGDO-UHFFFAOYSA-N 430.555 2.223 0 40 IEAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 32901189 MGGPUMZJQQIZLM-LJQANCHMSA-N 431.533 2.422 0 40 IEAB O=C(NCc1ccc(-n2cccn2)nc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 40093376 YYDVXTBXQCWSPA-UHFFFAOYSA-N 439.541 2.126 0 40 IEAB CCOC(=O)CN(CC1CC1)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 58061560 CVVORMGOEMQFDM-UHFFFAOYSA-N 438.546 2.331 0 40 IEAB Cc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3O)n[nH]2)s1 69947078 GFIZDDLWOODQQI-UHFFFAOYSA-N 448.526 2.425 0 40 IEAB O=C(c1cnccn1)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 72348028 BGBDYHLVYMSZJK-GOSISDBHSA-N 431.500 2.185 0 40 IEAB CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 96119233 SEYUSJXMTXXNDW-UHFFFAOYSA-N 448.589 2.020 0 40 IEAB COc1ncc(C2(O)C[C@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)c(OC)n1 100143353 GRUBDSGFXVTOIR-ZIAGYGMSSA-N 439.921 2.351 0 40 IEAB COc1ccc2[nH]cc(CCNC(=O)C(=O)N[C@@H]3C(=O)N(C(C)C)c4ccccc43)c2c1 100788397 FRBNEIIMQFSNDO-NRFANRHFSA-N 434.496 2.448 0 40 IEAB biogenic COc1ccc(CCNc2ncc3c(=O)n(Cc4ccccc4)c(=O)[nH]c3n2)cc1OC 101462457 GTLCCNAABXAQGJ-UHFFFAOYSA-N 433.468 2.200 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)cc1 206847627 RJKBGTWKICGLCU-MRXNPFEDSA-N 429.454 2.311 0 40 IEAB Cc1cc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1N(C)S(C)(=O)=O 222474907 BNZUFMJMKSZPII-UHFFFAOYSA-N 425.532 2.039 0 40 IEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222887613 SFWRMGIRSPUWIB-LJQANCHMSA-N 445.585 2.275 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1cc(C)ccc1C)c1ccc2c(c1)OCCO2 224011982 JVQPRMQFYSINCX-UHFFFAOYSA-N 448.541 2.426 0 40 IEAB Cc1ccc(C)c(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1 224032150 ZXCWYCKDNMTIET-UHFFFAOYSA-N 445.585 2.189 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)s1 224971955 NFPFATSSSIUVRY-UHFFFAOYSA-N 428.883 2.069 0 40 IEAB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 224995783 YVUPZSZRCVOSGI-UHFFFAOYSA-N 425.536 2.463 0 40 IEAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1cccnc1=O 257314556 UXLUJYQZJSPPEO-YLYPHGCXSA-N 434.540 2.245 0 40 IEAB O=C1CCCN1CCOc1cccc(C(=O)N2C[C@H](O)[C@H](Cc3ccc4nccn4c3)C2)c1 257342193 ZNMQUMVRDWIQQL-IRLDBZIGSA-N 448.523 2.011 0 40 IEAB Cc1ccc(CN2CC[C@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)s1 306127102 FOKLNWZOKSAIPA-FQEVSTJZSA-N 429.571 2.136 0 40 IEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NCc1noc2c1CCCC2 574165307 UOULUAHYEDGOSD-UHFFFAOYSA-N 427.505 2.271 0 40 IEAB CN1c2ccccc2N(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)S1(=O)=O 575414169 FVECADQKKYCAGC-UHFFFAOYSA-N 429.527 2.497 0 40 IEAB CN1c2cc(F)c(NC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)cc2N(C)S1(=O)=O 575610974 CTESIHKQHUUJNH-CYBMUJFWSA-N 428.486 2.295 0 40 IEAB O=C(c1ccc(F)c(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332242970 AFVKGJHLTSNPQT-HNNXBMFYSA-N 447.463 2.023 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1 1458461 ODCKSKWAHMLBCY-LJQANCHMSA-N 443.569 2.445 0 40 IEAB O=C1C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21 2097934 MSRCTMFGFIANPA-CHWSQXEVSA-N 428.286 2.217 0 40 IEAB biogenic C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCCCC1 5205792 ZMMMLXNNHAAGAN-JKSUJKDBSA-N 429.517 2.154 0 40 IEAB COCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@@H]1c1ccc(OC)cc1 9238868 BEMXAHSIBSTORR-QZTJIDSGSA-N 425.514 2.475 0 40 IEAB CCN(C(=O)CSc1nnc(NCc2ccccc2)s1)[C@@H]1CCS(=O)(=O)C1 9612764 RNZXBMINSIJUNG-CQSZACIVSA-N 426.589 2.278 0 40 IEAB O=C([C@@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)c2ccccc2O1)N1CCCCC1 9949379 IEZRLLAYBOEWIX-QFIPXVFZSA-N 432.480 2.203 0 40 IEAB CCC(=O)Nc1ccc(S(=O)(=O)NCCCn2nc(-c3ccncc3)ccc2=O)cc1 11746809 URKNVPSVDSGKMJ-UHFFFAOYSA-N 441.513 2.022 0 40 IEAB O=C(Nc1ccc(F)cc1F)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031495 TYYKVADSTDCDOP-LBPRGKRZSA-N 433.429 2.317 0 40 IEAB CN(C)Cc1ccc(C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 12089454 VVQJBMPKHMBAIG-OAQYLSRUSA-N 428.558 2.331 0 40 IEAB CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)CC2CCCC2)CC1 12133460 SQGIBUBOUKOCDS-UHFFFAOYSA-N 436.578 2.003 0 40 IEAB O=C(c1ccc(Cl)c(N2CCCCS2(=O)=O)c1)N1CCN(c2ncccn2)CC1 12195025 XIFQKYSCMUTANQ-UHFFFAOYSA-N 435.937 2.022 0 40 IEAB CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12790706 YUPVHGHIPQIDDN-CQSZACIVSA-N 428.489 2.293 0 40 IEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1ccc(Br)cc1 12855457 ACIVMAJDNNUYJF-VBKZILBWSA-N 447.285 2.419 0 40 IEAB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 14247355 ACVQCGGAWZZKKI-UHFFFAOYSA-N 442.872 2.323 0 40 IEAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCOCC3)cc2c1 19220902 JJJFROPLRSUUDW-JOCHJYFZSA-N 430.512 2.487 0 40 IEAB Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)COCCN3CCCC3=O)CC2)n1 19692099 QSRVHJMNCNBBIV-UHFFFAOYSA-N 437.544 2.379 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cccc(OC)c3)CC1)C2=O 19700707 YLEPLMBMUHSIJB-UHFFFAOYSA-N 442.560 2.344 0 40 IEAB COc1ccc(CNC(=O)[C@H]2CN(C(=O)Cc3ccc(OC)cc3)Cc3cn(C)nc32)cc1 19701541 DORZPFNPWMNAEW-QFIPXVFZSA-N 448.523 2.422 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)c2snnc2C)CCO1 19702967 ILYQMQKDYLMVGV-ZDUSSCGKSA-N 447.542 2.046 0 40 IEAB CNc1nc(C2CCN(C(=O)CC[C@H](C)N3CCCC3)CC2)nc2c1CN(C(C)=O)CC2 19711408 BBESXRBNCJTFQT-KRWDZBQOSA-N 442.608 2.393 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)CCC(=O)Nc3nc(C)c(C)s3)C2)ncc1C(=O)N(C)C 19757562 PXUOCPSXGAUDGB-HNNXBMFYSA-N 444.561 2.295 0 40 IEAB COC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009961 LPBBIDUWRGLRQQ-WMLDXEAASA-N 440.949 2.389 0 40 IEAB COc1ccc(N2C[C@H](C(=O)NCC(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 20745497 AMDVCWSVNLXIOA-QGZVFWFLSA-N 434.496 2.005 0 40 IEAB CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 22990056 CIADRZYMATWJDH-UHFFFAOYSA-N 426.516 2.499 0 40 IEAB CC[C@@H](C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC(C(N)=O)CC1 24829043 XENNSBVEMBFEGF-WBMJQRKESA-N 449.495 2.122 0 40 IEAB O=C(NCCOc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 29293740 HTTRYHZKNZFNKH-UHFFFAOYSA-N 442.896 2.309 0 40 IEAB Cc1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)s1 36366015 COOUGESYAADVAJ-CQSZACIVSA-N 434.543 2.228 0 40 IEAB CC(=O)c1cccc(NC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)c1 44920961 JXTSKNWVEIPXCM-UHFFFAOYSA-N 431.496 2.411 0 40 IEAB COc1ccc(C(=O)N2CCC(NC(=O)[C@H](Cc3ccc(F)cc3)NC(C)=O)CC2)cc1 57698912 LLKPNBXNPNYVIH-QFIPXVFZSA-N 441.503 2.303 0 40 IEAB CCOc1ccc(Oc2cc(CNS(=O)(=O)N3CCC(C(=O)OC)CC3)ccn2)cc1 58007291 LJXVKOLXPCKZLI-UHFFFAOYSA-N 449.529 2.492 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)o1 58367239 KPXWSMVYOHHZAK-UHFFFAOYSA-N 445.497 2.013 0 40 IEAB CC(C)N1C[C@H](C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)nc2)CC1=O 62001858 NUZLRYPBJIZZFN-FGTMMUONSA-N 435.528 2.062 0 40 IEAB biogenic CC(=O)c1cccc(NC(=O)CSc2cc(-n3ccc(C(=O)NC4CC4)n3)ncn2)c1 67225641 ZCVVVTRFWYYYCF-UHFFFAOYSA-N 436.497 2.488 0 40 IEAB C[C@@H]1CCc2n[nH]c(C(=O)N3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c2C1 72338852 MTQITXYTDQBUHZ-ZUOKHONESA-N 429.546 2.117 0 40 IEAB COC(=O)C[C@@](O)(C(=O)c1ccc(Cl)cc1)[C@H](O)[C@@H](O)C(=O)c1ccc(Cl)cc1 85224952 XYRDGHQDDWNESS-DFQSSKMNSA-N 441.263 2.075 0 40 IEAB COc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1 95444123 VDGFYCPAQOIYIV-QRWLVFNGSA-N 435.546 2.060 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]32)cc1 102442361 FBXISWAPYPCUEL-PMACEKPBSA-N 449.467 2.358 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1 138869678 XWCYWPDLELTSKI-INIZCTEOSA-N 440.452 2.407 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1 223064588 QKBUXPDTAWLQGC-UHFFFAOYSA-N 448.476 2.158 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225192619 SXJYDKXOURRVDK-GOSISDBHSA-N 431.558 2.233 0 40 IEAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)CN1CCCCS1(=O)=O)[C@@H]2Cc1ccccc1 257219537 DHDDSEBIRJKUDL-WGNYYXNJSA-N 445.629 2.497 0 40 IEAB O=C(c1cn2cccnc2n1)N1CCO[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 257232198 GJUISOOGARMNGD-FQEVSTJZSA-N 436.447 2.427 0 40 IEAB Cc1ncncc1C(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(N)=O)C1 257249673 JJHNEYOBYCTNHP-GUYCJALGSA-N 433.306 2.333 0 40 IEAB CCOc1ccc(N([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260903873 QVFXCIITMWTZLU-CRAIPNDOSA-N 434.514 2.196 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 408605610 NCRZNYYFLQQGJX-UHFFFAOYSA-N 446.569 2.471 0 40 IEAB CN1c2ccccc2N(C2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)S1(=O)=O 575414125 SASQNEHDOQKUNP-UHFFFAOYSA-N 438.513 2.073 0 40 IEAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@H](COCC2CC2)N(C(=O)c2ccccc2)C3)n1 585103996 YBEIAVCSRZMNMQ-HXUWFJFHSA-N 437.544 2.379 0 40 IEAB CCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 2111767 FTHXNBPWNYRIIN-MZNJEOGPSA-N 442.512 2.004 0 40 IEAB biogenic CCOc1ccc(CCNC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)cc1OCC 3297360 GBALQDJUWKBQMT-UHFFFAOYSA-N 441.488 2.054 0 40 IEAB CC(C)CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc23)CC1 8742731 AXVIBEDNQDMZQQ-UHFFFAOYSA-N 446.555 2.403 0 40 IEAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@@H](O)CN4c3ccc(C)c(C)c3)n(C)c2=O)c1 9129147 UJCCEOILCDXJOR-FQEVSTJZSA-N 445.523 2.383 0 40 IEAB CCCOc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCCCO)cc1 9183531 HITJCZHHIIMEDP-UYRXBGFRSA-N 426.469 2.474 0 40 IEAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCCC2)c1=O)C[C@H](C)CC3 9410382 FXVBKVBZPHYAMH-OAHLLOKOSA-N 433.574 2.399 0 40 IEAB CCOC(=O)c1sc(NC(=O)CN2CCC(C(=O)OC)CC2)c(C(=O)OCC)c1C 9492401 DYNXUJRXCGPVJE-UHFFFAOYSA-N 440.518 2.233 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)c1ccccc1 9633304 VTHRXWVOMBFEFG-FQEVSTJZSA-N 433.482 2.187 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H](c2ccc(F)cc2)n2nnnc2N1 10232351 HHGUEXYISDZFJV-GOSISDBHSA-N 439.403 2.154 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)COC(=O)CSCC(=O)Nc1cc(C)on1 11644385 CPBHVELZJSKNRN-UHFFFAOYSA-N 435.458 2.013 0 40 IEAB O=c1ccc(-c2cccs2)nn1C[C@H]1CCCN1S(=O)(=O)c1cccc2nonc12 12183892 FAMKRYOONTWZDH-CYBMUJFWSA-N 443.510 2.361 0 40 IEAB COC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2ccccc2F)S1(=O)=O 12415333 AZDULJYBZJBWHF-UHFFFAOYSA-N 435.477 2.004 0 40 IEAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 12847253 NLUKNWSFNZZFAU-IBGZPJMESA-N 429.542 2.022 0 40 IEAB Cc1ccc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@@H]3CS2(=O)=O)c(Br)c1 12876632 MRNZVSGECNSPIT-FMKPAKJESA-N 444.351 2.103 0 40 IEAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccc(CC(=O)N2CCOCC2)s1 13098458 GEDCPTHZUPVBRW-XYPWUTKMSA-N 433.526 2.271 0 40 IEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 13117582 FWACPGDPMNXWNM-DEOSSOPVSA-N 435.480 2.200 0 40 IEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CSc1nnnn1-c1ccc(O)cc1 13127283 KKWIBYWZBNGHGZ-UHFFFAOYSA-N 427.486 2.280 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCC1 13554677 HCCFURGRJBLPMC-DMPWYTOCSA-N 443.544 2.400 0 40 IEAB Cc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)o1 14241205 PHJYWAYVCAZUBC-UHFFFAOYSA-N 434.514 2.419 0 40 IEAB CC(C)c1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 14372313 IJCCUGGYOXUXEY-UHFFFAOYSA-N 448.570 2.435 0 40 IEAB O=C(COC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)NC[C@H]1CCCO1 14599515 MQYPPWDIDSYHFL-CQSZACIVSA-N 430.482 2.456 0 40 IEAB O=C([C@H]1CCCO1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349272 KHXUNOCEVSQHEM-WOJBJXKFSA-N 426.492 2.310 0 40 IEAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)ncn3C)ncc1C(=O)N1CCOCC1 19755708 MKJZUPYAMLCOEZ-FQEVSTJZSA-N 434.500 2.121 0 40 IEAB C[C@@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)Nc1ccc(C(F)(F)F)cc1 21138550 PDOLDXPASLEZJQ-MLCYQJTMSA-N 427.379 2.296 0 40 IEAB COCCNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1F)S(C)(=O)=O 22254318 NQPBWGRGKZPPIC-UHFFFAOYSA-N 440.493 2.185 0 40 IEAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O 24097250 ZSXPVDMNDKOLRS-SBUREZEXSA-N 426.469 2.282 0 40 IEAB Cc1cc(NC(=O)CCn2ccnn2)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 24841629 KLNPEVVIEBRPHD-UHFFFAOYSA-N 427.486 2.271 0 40 IEAB COc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)cc1 27643259 VRDFLWNZOCULPZ-UHFFFAOYSA-N 431.905 2.336 0 40 IEAB COCc1nnc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CC(C)C)s1 40284755 OABBJFJOILSPJV-HXUWFJFHSA-N 429.502 2.258 0 40 IEAB O=C1CN(Cc2ccc3c(c2)OCO3)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 56998240 OLTRHQHJJKWOQE-SJORKVTESA-N 434.901 2.083 0 40 IEAB Cc1nc2c(c(C)c1CNC(=O)[C@@H]1C[C@@H]3CCCC[C@@H]3N1c1ncccn1)c(=O)[nH]n2C 96012409 FHZXURDSISUGQD-SZMVWBNQSA-N 435.532 2.122 0 40 IEAB Cc1nc(CN2[C@]3(CCN(S(=O)(=O)C4CC4)C3)c3ccccc3S2(=O)=O)cs1 96143194 FOHHJDXQSHPATQ-SFHVURJKSA-N 439.584 2.049 0 40 IEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NC(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 102119056 KRSGTYDLNNZOCC-HLLBOEOZSA-N 428.489 2.363 0 40 IEAB COc1ccc(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1OC 220240150 CVLRZWVKFTXOTA-MRXNPFEDSA-N 435.546 2.111 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N(C)Cc1ccccc1 223977183 OUVWPEWPHCFQTJ-UHFFFAOYSA-N 432.542 2.307 0 40 IEAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 224072709 LUAFEYSMUBINTQ-KRWDZBQOSA-N 449.548 2.188 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@](O)(c2ccco2)c2cccs2)cc1 225591478 FWXSUMBVABNZIP-HXUWFJFHSA-N 446.506 2.209 0 40 IEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 225808685 DPGMJFZUCPQMCJ-MRXNPFEDSA-N 428.514 2.352 0 40 IEAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1cccnc1=O)[C@H]2Cc1ccccc1 257321937 WDYILZGDGFSRRY-ZWCDFLAXSA-N 434.540 2.245 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)no1 408667814 SZMICTJZORFXNM-VUCTXSBTSA-N 425.441 2.704 0 40 IEAB CN(CCOc1ccc(Cl)cc1)C(=O)Cn1cnc2c(nnn2-c2ccccc2)c1=O 520531198 VTQOSMZTLTYGJJ-UHFFFAOYSA-N 438.875 2.168 0 40 IEAB Cn1c(C(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)cc2ccccc21 1549160071 ACKDEVHPTVXVFP-HXUWFJFHSA-N 436.512 2.226 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3C(=O)NCC(C)C)CC2)cc1 2264181 JDKYOROUKHZHNQ-HXUWFJFHSA-N 435.590 2.159 0 40 IEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC(C)C)cc1 3467895 JBLKSRJCPKZYIP-UHFFFAOYSA-N 447.513 2.293 0 40 IEAB CC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6821026 LMVMBEBNNSGULU-CQSZACIVSA-N 433.509 2.448 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)c(C)c2)cc1 9096290 AKHGVXJUANYPID-SFHVURJKSA-N 434.514 2.478 0 40 IEAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9639969 GRDZCSGAEQSELN-HNNXBMFYSA-N 432.908 2.478 0 40 IEAB O=c1ccc(-c2ccc(F)cc2)nn1CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 11738575 BZLMBCHOLJJDCY-UHFFFAOYSA-N 445.472 2.189 0 40 IEAB COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1S(=O)(=O)N1CCCCC1 12418228 GPXXNPZFCQXTDI-UHFFFAOYSA-N 432.564 2.053 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2nccnc2-c2nc3ccccc3s2)NC(=O)NC1 13000830 RBUDTGBDKPWVDF-UHFFFAOYSA-N 439.453 2.040 0 40 IEAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 13032003 NGCCYMSGIQSXFF-LJQANCHMSA-N 439.553 2.044 0 40 IEAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 14092878 NPMXUMBBTOSCRT-UHFFFAOYSA-N 427.438 2.305 0 40 IEAB COc1ccc(OC)c(CN2CCN(C(=O)C3CCN(C(=O)c4ccco4)CC3)CC2)c1 14119477 LFQGKMNHTJJBQA-UHFFFAOYSA-N 441.528 2.493 0 40 IEAB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CC(=O)Nc2ccccc21 17048620 UNJZWSOWYTULNZ-KBPBESRZSA-N 425.416 2.096 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CC(=O)NCc3ccco3)CC2)cc1C 17702809 KBUXHXPMBXRENS-UHFFFAOYSA-N 447.557 2.072 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C3CCC3)C1)C2=O 19699679 XKDKSOZTPZZGTM-IBGZPJMESA-N 438.528 2.004 0 40 IEAB Cc1nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2Cc1ccccn1 19752619 VDXBZIKKSXSNER-KRWDZBQOSA-N 430.578 2.119 0 40 IEAB Nc1nc(C2CCN(S(=O)(=O)N3CCCC3)CC2)ccc1C(=O)NCc1ccccc1 19766785 HVTDATYFQKPOFR-UHFFFAOYSA-N 443.573 2.114 0 40 IEAB COc1ccc(C(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)cc1OC 24877849 NGHSJCOSLGZKQQ-JOCHJYFZSA-N 426.425 2.168 0 40 IEAB COC[C@@H](C)NC(=O)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 26093927 RMQIYMXRNTWWGT-GFCCVEGCSA-N 432.527 2.400 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(OCC(N)=O)c2)cc1 30945532 ZBGNIOGKYXNFSX-UHFFFAOYSA-N 433.530 2.153 0 40 IEAB CCCCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 35312957 WWLCATPQWJVMFM-UHFFFAOYSA-N 445.545 2.282 0 40 IEAB CN(C)c1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 36848681 XQHHLXYCRAPRKO-UHFFFAOYSA-N 442.463 2.313 0 40 IEAB COc1cc(C)c(CN(C)C(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1OC 37205295 RHCMEHCWSGUWEI-UHFFFAOYSA-N 425.529 2.429 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(Cc3ccccc3)CC2)Oc2ccc(Cl)cc21 38756362 QLGVRNRQXVSQNT-FQEVSTJZSA-N 449.960 2.211 0 40 IEAB COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)cc1OC 40477213 PEDODAVWQSHVOV-UHFFFAOYSA-N 434.456 2.001 0 40 IEAB CC1CCN(c2cc(-n3cnc(C(=O)N4CCN(c5ccccn5)CC4)c3)ncn2)CC1 49411199 WIUOLWDJVQWCRO-UHFFFAOYSA-N 432.532 2.256 0 40 IEAB O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCN(C3CCCC3)CC2)cc1 57698706 BUBXXOZDQITADW-UHFFFAOYSA-N 441.619 2.156 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3cncc(-n4ccnc4C)n3)CC2)cc1 72355571 IZOTULVQLOLLQA-UHFFFAOYSA-N 440.529 2.497 0 40 IEAB CC[C@@H](C)[C@H](NCC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)C(N)=O 89942166 NKWYXQIFMWHFMV-QRWLVFNGSA-N 438.594 2.068 0 40 IEAB CCN1C(=O)C2(CCN(c3ncccn3)CC2)CC12CCN(C(=O)c1ccncc1)CC2 96262376 AYKSVXJRAIOLEI-UHFFFAOYSA-N 434.544 2.385 0 40 IEAB Cc1cccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)c1 220135756 QSJNFGWLQFDQFW-KRWDZBQOSA-N 445.541 2.261 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)N1C[C@H](Oc2ccccc2F)C[C@H]1C(=O)OC 225353941 NGLAWUAVBWSJHM-YPMHNXCESA-N 443.474 2.057 0 40 IEAB CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@H](Cc2ccc3ncccc3c2)C1 257319928 VUQIOLXKDGNLEP-OAQYLSRUSA-N 432.572 2.468 0 40 IEAB Cc1ccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 260932815 NBUKCOAIQBWZQZ-CVEARBPZSA-N 438.571 2.430 0 40 IEAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2Cl)CC1 408560596 ZVWUDPHUMIZJEX-UHFFFAOYSA-N 429.970 2.058 0 40 IEAB COC[C@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 408616833 CGSLQYQUOXQWSV-INIZCTEOSA-N 436.530 2.359 0 40 IEAB O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)N1CCN(c2ncccn2)CC1 512035224 NRTZNFXSWOSRAR-HNNXBMFYSA-N 436.438 2.486 0 40 IEAB CN1c2cc(F)c(NS(=O)(=O)Cc3noc4ccccc34)cc2N(C)S1(=O)=O 575612532 MXLNCFNRJBVDHK-UHFFFAOYSA-N 426.451 2.040 0 40 IEAB O=C(c1cc(-c2ccco2)on1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148502 NUGTZSWAWOSZLM-UHFFFAOYSA-N 426.351 2.366 0 40 IEAB CNC1=Nc2ccc(Cl)cc2C(OP(=O)(N2CCOCC2)N2CCOCC2)=NC1 1564992 LJICIVONMGJXQV-UHFFFAOYSA-N 441.856 2.139 0 40 IEAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCCS(=O)(=O)c1ccc(Cl)cc1 3104374 HGWRSTCSRHBEND-UHFFFAOYSA-N 436.338 2.357 0 40 IEAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)cc2)n1 3421638 NWTKNIHTZFDZBP-HXUWFJFHSA-N 447.557 2.318 0 40 IEAB CCC[C@H](C(=O)NCCC(C)C)N(CCCOCC)C(=O)c1snc(C(N)=O)c1N 6501450 YCVGYLGUEQDLKX-CQSZACIVSA-N 441.598 2.024 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 9288616 YJMUAZTYZGAGSG-LPHOPBHVSA-N 443.525 2.136 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 9448681 GAWQIUYAOHJREK-CYBMUJFWSA-N 427.486 2.428 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCCCn1c(=O)[nH]c2ccccc21 9461928 JHYBVVSAPDWMCB-QGZVFWFLSA-N 437.543 2.328 0 40 IEAB CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc1C 9586194 KMKHLAAHRICREE-GFCCVEGCSA-N 431.470 2.391 0 40 IEAB CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c(F)c1 9635174 JXMQNMYAYWSTPX-QFIPXVFZSA-N 441.415 2.205 0 40 IEAB Cn1c(CCC(=O)NC2CCCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9949712 AVBFVSGGTOZTFZ-UHFFFAOYSA-N 448.589 2.366 0 40 IEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9960895 ZSDHITDDFCRYLT-UHFFFAOYSA-N 426.498 2.210 0 40 IEAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c1OC 10515376 DRTKCTIIHKSUHU-BJMVGYQFSA-N 434.470 2.304 0 40 IEAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)Cn1ncc3ccccc3c1=O)c1ccccc1O2 12086442 DAJOIJFGCUNWOQ-NBGIEHNGSA-N 446.507 2.418 0 40 IEAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)Cn1nc(C)c2ccccc2c1=O 12185392 HKVXKNCCEFGCAA-AWEZNQCLSA-N 439.497 2.178 0 40 IEAB CC(C)N1CCN(c2nc(N3CCOCC3)nc3c2CCN(Cc2ccccc2)C3)CC1 12220213 XJBWTYMNAQQTAB-UHFFFAOYSA-N 436.604 2.402 0 40 IEAB COc1ncccc1[C@H](Cc1ccsc1)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 12228979 ZEGJUWGWJSPVTG-SFHVURJKSA-N 431.539 2.442 0 40 IEAB CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 13150961 OBGBJIORASBZGR-UHFFFAOYSA-N 441.550 2.109 0 40 IEAB COc1ccccc1[C@H](C)NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 13164451 SHGQCJPLXVTKOJ-WPNIOXTASA-N 443.569 2.491 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 13690064 NLNZNRRJFVALNE-UHFFFAOYSA-N 425.441 2.269 0 40 IEAB C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCN(c2nccs2)CC1 14350744 MSMZPANGMKUBHS-LBPRGKRZSA-N 448.492 2.178 0 40 IEAB COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC 15137209 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0 40 IEAB O=C(CN1CCN(C(=O)c2ccc(I)cc2)CC1)N1CCCCC1 22697453 DPDQCFSJXZVJIZ-UHFFFAOYSA-N 441.313 2.062 0 40 IEAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N(Cc1ccccc1F)C1CC1)C2=O 23674226 SRGCEWGAMXPWED-UHFFFAOYSA-N 445.491 2.361 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)NCCC1=CCCCC1 36384437 SCUGUIGRMJZLBY-UHFFFAOYSA-N 431.602 2.488 0 40 IEAB CCCCOC(=O)c1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)cc1 40058507 CYECHRDEMHQOSO-UHFFFAOYSA-N 427.500 2.319 0 40 IEAB C[C@@H](C(=O)Nc1ccc(NC(=O)NCc2ccc(-n3cccn3)nc2)cc1)n1cncn1 58281092 NBIIRFXBXQOUSB-HNNXBMFYSA-N 431.460 2.380 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(OCc3ccncc3)c2)C[C@@H](C)O1 58379634 BYGHNYOZENQJKR-CALCHBBNSA-N 448.545 2.221 0 40 IEAB O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1cc(F)cc(F)c1 67318843 NZAKOEMAEBSHAF-UHFFFAOYSA-N 427.407 2.391 0 40 IEAB NC(=O)[C@H]1CC(C(=O)NC[C@](O)(Cc2ccccc2)c2ccccc2)=NN1c1ccccc1 72304416 LYXIBRPUAIZVKZ-ZEQKJWHPSA-N 442.519 2.353 0 40 IEAB CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)c(OC)cc2OC)C1)C(C)C 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32818930 DXRFKLMTBUJKQH-HXUWFJFHSA-N 433.486 2.339 0 40 IEAB Cn1nc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)c2ccccc2c1=O 34758874 KIEXXUQUVGVCDY-RVDMUPIBSA-N 440.506 2.461 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)NCCCN1C(=O)NC3(CCCCC3)C1=O)CC2 40069061 IOGVJRFKEXLKQW-UHFFFAOYSA-N 444.532 2.416 0 40 IEAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC(c2nc(-c3cnccn3)no2)C1 49484896 JFUILIRDTGINHJ-UHFFFAOYSA-N 427.364 2.213 0 40 IEAB Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(Nc2ccc3c(c2)OCCO3)n1 54147100 MLEFKVXIQXCSFD-UHFFFAOYSA-N 437.479 2.430 0 40 IEAB COc1ccc(C(=O)NCc2ccccc2-n2ccnc2)cc1S(=O)(=O)NC1CC1 60013843 PVRRPWDFDWGEAA-UHFFFAOYSA-N 426.498 2.252 0 40 IEAB CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 65606557 TYEWYAHPTHGVEM-MRXNPFEDSA-N 427.592 2.145 0 40 IEAB CCc1nccn1[C@@H](C)C(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 72374425 DNULDGDOOLDWHD-KRWDZBQOSA-N 425.533 2.280 0 40 IEAB COC(=O)CSc1cncc(N(C)CCCOc2ccc(S(C)(=O)=O)cc2)n1 79058025 QITGJFRXFONAEG-UHFFFAOYSA-N 425.532 2.051 0 40 IEAB COC(=O)c1sc(NC(=O)CCN2CCC[C@H](C3OCCO3)C2)c(C(=O)OC)c1C 84026733 PVCFVHASRFKKFM-ZDUSSCGKSA-N 440.518 2.043 0 40 IEAB COc1cccc(CNC(=O)Cn2c(N3CCN(c4ccccc4)CC3)nc(C)cc2=O)c1 90610164 XDGGKWBRZASVJZ-UHFFFAOYSA-N 447.539 2.203 0 40 IEAB COC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1C 223588989 OVYUTNWEBMROTD-UHFFFAOYSA-N 432.498 2.017 0 40 IEAB CSc1nnc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 224075176 VMSDASVLTUTXDI-UHFFFAOYSA-N 444.560 2.216 0 40 IEAB O=C(CN1C[C@@H](O)[C@H](Oc2ccc(C(=O)O)cc2)C1)Nc1ccc(Br)cc1 257215069 CONNDNHKEXIMQM-IAGOWNOFSA-N 435.274 2.210 0 40 IEAB CN(C(=O)c1cc(COc2ccccc2F)on1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 257327138 XACJNUYFILDKFR-SFHLNBCPSA-N 433.480 2.079 0 40 IEAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 408656701 OBSMHZXBQKFRNY-CQSZACIVSA-N 445.859 2.024 0 40 IEAB NC(=O)c1ccc(CNc2cc(NCc3ccc(C(N)=O)cc3)c3ccncc3n2)cc1 550731853 ATUMULNKDOMDPZ-UHFFFAOYSA-N 426.480 3.052 0 40 IEAB C[C@]1(C[C@H]2CCCN2C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)NC(=O)NC1=O 557609468 WJBNVMUNXOHDQF-KZULUSFZSA-N 437.378 2.348 0 40 IEAB NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@H]2CCCN(c3ncnc4sccc34)C2)c1 608136553 HZRFPSKRUFLNOD-LBPRGKRZSA-N 449.533 2.011 0 40 IEAB COc1cc2c(=O)c(-c3ccc(OC(=O)[C@@H](C)O)cc3)coc2cc1OC(=O)[C@@H](C)O 2060990719 VHLGZVLPSYCFEK-VXGBXAGGSA-N 428.393 2.041 0 40 IEAB COc1cc(/C=c2\sc3n(c2=O)CN(c2cc(C)cc(C)c2)CN=3)cc(OC)c1OC 2247106 WASIPWALKBJKCJ-JAIQZWGSSA-N 439.537 2.436 0 40 IEAB O=C(NC[C@H]1CCCO1)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O 9305681 UDJZEDOQUIYFFJ-IERDGZPVSA-N 432.480 2.250 0 40 IEAB O=C(NCc1ccccc1Cn1cccn1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 10542931 KGACHLWGWLOGIM-IBGZPJMESA-N 432.480 2.372 0 40 IEAB COc1cc(CCC(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)on1 12188663 RHCAHIKDBLIVIL-UHFFFAOYSA-N 446.529 2.058 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](c3nc(C)nc4ncccc34)C2)CC1 12254198 PVOJMWPPKQMJLQ-KRWDZBQOSA-N 431.562 2.101 0 40 IEAB CCn1c(=O)n(CC(=O)N2CCC[C@@H](C)C2)c2c(C(N)=O)nc(-c3ccc(C)s3)nc21 12276806 IZKGTDRRSYKXNT-GFCCVEGCSA-N 442.545 2.007 0 40 IEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nn2cnc3scc(-c4ccco4)c3c2=O)c1 12864866 GYOWVILHIDSQMK-UHFFFAOYSA-N 444.494 2.352 0 40 IEAB CCCc1cc(=O)[nH]c(SCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)n1 13163733 UIXLBNKOJJLEKM-KRWDZBQOSA-N 435.571 2.030 0 40 IEAB COc1ccc(-c2cc(C(=O)NCc3ccccn3)n[nH]2)cc1S(=O)(=O)N1CCCC1 15860807 DCHUMBYSVRQSDG-UHFFFAOYSA-N 441.513 2.195 0 40 IEAB CCOc1ccc(C(=O)NC(=S)NCCCN2CCOCC2)cc1Br 16692126 GATLWGDOEYCQDK-UHFFFAOYSA-N 430.368 2.174 0 40 IEAB COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CN2CCCCCC2)cc1=O 16974455 FLNXNUGJOMYFKJ-UHFFFAOYSA-N 427.501 2.278 0 40 IEAB C[C@@H](NC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2)c1cccs1 19459677 SMIXIHUYAWAHCU-QRQCRPRQSA-N 427.526 2.499 0 40 IEAB CN(C)S(=O)(=O)N1CC[C@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19583645 MMSIVHZGCMQWGM-JOCHJYFZSA-N 428.558 2.068 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3cccc(OC)c3)C1)C2=O 19699985 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O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 51364415 HLGSXEWVFMYGRV-NRFANRHFSA-N 448.567 2.363 0 40 IEAB Cc1cc(C)nc(S[C@@H](C)C(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)n1 57742410 UBGLUECRIFHFJP-LBPRGKRZSA-N 441.604 2.235 0 40 IEAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccc(C(=O)N2CCCC2)cc1 69930166 XBIWHBXEHDEDFW-QFIPXVFZSA-N 446.507 2.337 0 40 IEAB O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 84392642 BGUXSNABTQBCKY-LJQANCHMSA-N 431.924 2.075 0 40 IEAB CCCO[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)O)o3)CC2)CC1 95969729 SCTQVMKGOZQJEN-INIZCTEOSA-N 442.534 2.186 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(I)cc1 100394671 ZICDEKHPZFJWES-CDSWZMAWSA-N 448.260 2.283 0 40 IEAB Cc1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O[C@@H](C)C(=O)NC(C)(C)C)[C@@H]4C2=O)c(C)c1 100442910 UKQQBDFNACHYKG-HLYGSZGBSA-N 426.513 2.436 0 40 IEAB O=C(CN1C(=O)S[C@H]([C@@H]2SC(=O)NC2=O)C1=O)Nc1cccc(C(F)(F)F)c1 101375859 FSMYRHPJVRPLDJ-VHSXEESVSA-N 433.389 2.060 0 40 IEAB CCCCc1c(O)nc(SCC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)nc1O 103165709 OSMULSLUVUBSGB-ZIAGYGMSSA-N 430.530 2.130 0 40 IEAB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 103519801 JSLUOVFOJJMTGM-XRXFAXGQSA-N 431.448 2.301 0 40 IEAB CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H](c3ccccc3)N3CCOCC3)cc2C[C@@H]1C 105826935 KKWRJUOQXCPTEY-SBUREZEXSA-N 443.569 2.336 0 40 IEAB CS(=O)(=O)c1ccc(OC[C@]2(CNCc3ccc(F)c(F)c3)C[C@H](O)[C@H](O)C2)cc1 107283808 ZTYXOYCGBZCSRS-AERCQKQUSA-N 441.496 2.039 0 40 IEAB biogenic,in-vitro CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(C)cc2)C1 139089605 DEWMLKOWVLKBLL-KRWDZBQOSA-N 439.468 2.069 0 40 IEAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1C 224903570 SEJWCJVSJORQRT-UHFFFAOYSA-N 448.497 2.498 0 40 IEAB Cc1nc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1C 238939847 VWQYEIWGZSWZGB-UHFFFAOYSA-N 430.452 2.284 0 40 IEAB O=C(CCc1nc2ccccc2[nH]1)NCCn1cc(-c2nc(-c3cccnc3)no2)nn1 245170786 XGJJKUKAHZUTGY-UHFFFAOYSA-N 429.444 2.015 0 40 IEAB Cc1ccc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@H]3CS2(=O)=O)c(Br)c1 245237543 MRNZVSGECNSPIT-LZWOXQAQSA-N 444.351 2.103 0 40 IEAB O=C(CCCN1C(=O)CNC1=O)N1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 257221510 DPJLRWRCLGDFJQ-FQEVSTJZSA-N 440.475 2.043 0 40 IEAB COc1cccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)c1 408620525 PBCJIJZGMBDPIR-UHFFFAOYSA-N 428.514 2.294 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)c1 408665252 REJKRNIVRBRWLB-AWEZNQCLSA-N 428.441 2.247 0 40 IEAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)CC1 409231677 FIUVWBMCQPRJSP-SFHVURJKSA-N 431.558 2.269 0 40 IEAB O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2 2617212 VMZBTTCFDKBYDX-UHFFFAOYSA-N 427.409 2.009 0 40 IEAB CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)[C@H]1CCS(=O)(=O)C1 8860936 GTTHXVMRKOYSHU-AWEZNQCLSA-N 445.570 2.499 0 40 IEAB COc1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2sc3c(c21)COC(C)(C)C3 9059483 JYBSLDSLBAELOC-UHFFFAOYSA-N 429.498 2.260 0 40 IEAB COC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O 9259559 XTBJINXSTHMCON-WUXMJOGZSA-N 427.251 2.311 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cnc2sccn2c1=O 9381283 WEBGQGFKRSAJGM-UHFFFAOYSA-N 433.496 2.266 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2nc3ccsc3c(=O)[nH]2)cc1 9465699 TWFUDGWXTJFGLY-HNNXBMFYSA-N 433.511 2.190 0 40 IEAB C[C@H](Oc1ccccc1)C(=O)NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21 12071737 DNQUYFBEJNDRRX-INIZCTEOSA-N 435.459 2.364 0 40 IEAB COc1ccc(N2CCn3c2nnc(C(=O)NCCc2c[nH]c4ccccc24)c3=O)cc1 12234002 YHYRMVRRNPIYDR-UHFFFAOYSA-N 430.468 2.252 0 40 IEAB C[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CCO1 12760240 DOUFLOUPDXMCBD-RYUDHWBXSA-N 437.381 2.159 0 40 IEAB C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 12797168 GIYLHZYDYVTRPN-CQSZACIVSA-N 433.496 2.459 0 40 IEAB CCCCn1c(=O)n(C)c(=O)c2c(C(=O)OC)cc(-c3ccc(OC)cc3OC)nc21 13165214 NKXMQQGCWVHTMU-UHFFFAOYSA-N 427.457 2.366 0 40 IEAB O=C([C@@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 13696709 YXWBJKVLTXAKTI-IBGZPJMESA-N 430.482 2.327 0 40 IEAB CCCCN(C(=O)c1[nH]c(C)c(C(=O)OCC)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14720900 PAENHHQOJQZLCB-UHFFFAOYSA-N 447.536 2.343 0 40 IEAB CCCCn1c(N)c(N(CC)C(=O)CN2CCC(Cc3ccccc3)CC2)c(=O)[nH]c1=O 15377518 VZGFHGBIFRZDMV-UHFFFAOYSA-N 441.576 2.227 0 40 IEAB COc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5ccc6c(c5)OCO6)C(=O)[C@H]24)O3)cc1 15905350 PDNWLAIFJBGZSB-TVPUMLRDSA-N 448.475 2.022 0 40 IEAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@H](C)N)CC2)cc1 16009825 ZAHVSQTWVUUWLF-PGRDOPGGSA-N 436.556 2.247 0 40 IEAB CCS(=O)(=O)c1ccccc1C(=O)NCc1cc(N(C)C)nc(-c2cccnc2)n1 19520496 PWGFNWZCMKKABM-UHFFFAOYSA-N 425.514 2.328 0 40 IEAB COc1cc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)cc(OC)c1OC 19549729 WNFMAAWWDJEPSI-CYBMUJFWSA-N 427.548 2.347 0 40 IEAB O=C(Cc1ccccn1)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19695592 YYEZBZZJRRXBGS-VWLOTQADSA-N 430.508 2.176 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O 19699783 BSQFOGHCGQUGLE-FQEVSTJZSA-N 426.561 2.263 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c(OC)c1 19819927 MNAYWAULUFCLBG-CYBMUJFWSA-N 426.477 2.131 0 40 IEAB COC(=O)C1CCN(C(=O)Cc2c(C)nc(SCc3ccccc3F)[nH]c2=O)CC1 23138592 UPAMYCILFRHJMW-UHFFFAOYSA-N 433.505 2.464 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 32769311 SQHUPFNUNUEOPM-OAHLLOKOSA-N 441.484 2.072 0 40 IEAB Cc1nn(C[C@@H](C)C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1C 72338886 SHCJSRAVPFONIN-SPLOXXLWSA-N 445.589 2.413 0 40 IEAB CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4cccnc4)cc32)n1 96156453 GOJBTUDKOIKQGJ-GOSISDBHSA-N 440.529 2.096 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)CC1 222664188 HVXVCOHLUGLJFT-UHFFFAOYSA-N 445.969 2.495 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223610101 PPGIATWGGJZHOL-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB CC[C@@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 225291086 SPLNKSROZZVCEO-RTBURBONSA-N 438.571 2.290 0 40 IEAB O=C(O)CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2nc(O)sc2[C@H](c2ccco2)[C@H]31 226931234 IOYLOAKNPVOCST-WXMQAKSMSA-N 446.506 2.390 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1 408618344 FRCXAIQSEVNDKD-INIZCTEOSA-N 435.521 2.240 0 40 IEAB O=C(c1c(-n2cccc2)sc2c1CCSC2)N1CCN(CCn2cncn2)CC1 607042889 RJYXLXRMQKHSHT-UHFFFAOYSA-N 428.587 2.378 0 40 IEAB Cc1ccc2[nH]nc(C(=O)N3CCN(C)[C@H](C(=O)NCCOc4ccccc4C)C3)c2c1 1848353553 XYPZDLYWMTYBNV-FQEVSTJZSA-N 435.528 2.131 0 40 IEAB CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363878 ZYUHSFUTLSSIJK-QGZVFWFLSA-N 440.529 2.264 0 40 IEAB O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2C[C@@H](c3ccccc3)CC2=O)c1 1440671 FEERBRKMCUKFQI-HNNXBMFYSA-N 428.495 2.495 0 40 IEAB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2 1864789 WWDROQOEXLSDJN-LJQANCHMSA-N 444.454 2.379 0 40 IEAB COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1C 2096644 YORIDFBSOVGMKN-SFHVURJKSA-N 425.437 2.479 0 40 IEAB biogenic COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(=O)oc2c1OC 2113934 DEQOICHXFMLPKQ-KRWDZBQOSA-N 425.437 2.473 0 40 IEAB biogenic CSCC[C@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)NC(=O)NC1CCCCC1 4144440 MHFRRFRASORURA-HIFRSBDPSA-N 439.534 2.221 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)NC(C)(C)CO)c2C)cc1 8754190 YQBYZRWHBFIANV-UHFFFAOYSA-N 440.587 2.486 0 40 IEAB O=C(Cn1cc(S(=O)(=O)CC(=O)N2CCCCC2)c2ccccc21)N1CCCCC1 9519669 VXLYGZOJCQTIAI-UHFFFAOYSA-N 431.558 2.440 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 10275825 RWYHAUFCBDVVOP-PXNSSMCTSA-N 448.516 2.127 0 40 IEAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccc(Cl)cc1 11905947 RLUZGXXOJORLQE-UHFFFAOYSA-N 428.919 2.193 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(C(=O)C[C@H]4CC(C)(C)OC4=O)CC3)c(=O)c2c1C 12188658 FPLVMKZPMAHINO-HNNXBMFYSA-N 447.557 2.160 0 40 IEAB CCc1ccccc1NC(=O)CN1CCN(C(=O)NCc2cccnc2-n2ccnc2)CC1 12544596 MSHGCYPMARZSFE-UHFFFAOYSA-N 447.543 2.296 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1NS(C)(=O)=O 12605191 XJZUZCXJCGYXCC-UHFFFAOYSA-N 440.319 2.498 0 40 IEAB O=C(CSc1nc2ccccc2o1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12907438 XCHYHYCHUURFJF-IBGZPJMESA-N 439.493 2.431 0 40 IEAB COc1ccccc1N1C[C@H](C(=O)O[C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1=O 16870223 CUOYISUBNOLRDP-NVXWUHKLSA-N 439.468 2.006 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccco1 17097231 YPKIXYMFDOHMKM-MSOLQXFVSA-N 430.892 2.461 0 40 IEAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 19573624 OLGFWBGFDOEIMD-UHFFFAOYSA-N 441.513 2.269 0 40 IEAB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 20614134 ZHIJFPFZEMIBQL-LJQANCHMSA-N 425.485 2.106 0 40 IEAB CCn1c(CN2C(=O)NC3(CCCCCC3)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 24992333 CJEPRYCEUWVYLD-UHFFFAOYSA-N 447.561 2.451 0 40 IEAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(CC(=O)NCCCOC(C)C)CC1 32909347 XWEZYCHGWNJAPU-HXUWFJFHSA-N 425.957 2.103 0 40 IEAB C[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccc(C(F)(F)F)c1 32983518 WCNSBIANSZGTIX-SMDDNHRTSA-N 431.436 2.048 0 40 IEAB CN1[C@@H](CCC(=O)NCc2ccc(F)cc2)CNC(=O)[C@@H]2[C@H]1CCN2C1CCCCC1 35442411 FOFDQSSOGORFOJ-XJUOHMSHSA-N 430.568 2.428 0 40 IEAB biogenic,in-vitro C[C@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCC[C@@H]1C 36416311 VUCWXKAETSTPPV-YQQAZPJKSA-N 435.546 2.132 0 40 IEAB CCc1c(C)nc(-n2nc(C)cc2NC(=O)CCS(=O)(=O)c2ccccc2)nc1O 38740704 FQKBWNRANIJKSB-UHFFFAOYSA-N 429.502 2.350 0 40 IEAB COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCC(C(N)=O)CC2)C12CCCCC2 49543734 DBHWFODTNHDYEM-HXUWFJFHSA-N 427.545 2.299 0 40 IEAB biogenic NC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cccc4cccnc34)CC2)cc1 58167286 UUHYNTGIJLRVRC-UHFFFAOYSA-N 425.514 2.232 0 40 IEAB O=C(COc1ccccc1F)Nc1ccc(-n2nnc(C(=O)NCC(F)(F)F)n2)cc1 71004786 HYJVMMBLWFEJMG-UHFFFAOYSA-N 438.341 2.111 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCN1CCc2ccccc21 72272841 BGVOIIHJZRMGEE-IBGZPJMESA-N 433.599 2.266 0 40 IEAB COc1ccc(NC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)c(OC)c1 72325901 QYAPBXSNTYKKJD-QHCPKHFHSA-N 438.484 2.207 0 40 IEAB COc1cccc(CC(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)c1 72394883 UWUYFTYCFDZYIJ-XLIONFOSSA-N 425.529 2.094 0 40 IEAB O=C(Cn1cccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 72399102 DJWKFPRMLPPDQS-IBGZPJMESA-N 438.557 2.340 0 40 IEAB O=C(COc1ccc(F)nc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 95430854 QDPPRTUQUWKLQG-UHFFFAOYSA-N 429.473 2.286 0 40 IEAB CC(C)n1cnc2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2c1=O 96114085 VRVIUPUIXXUCBW-IBGZPJMESA-N 433.468 2.447 0 40 IEAB biogenic COc1ccc(S(=O)(=O)N2CCC3(CC2)CCn2c(-c4cnn(C)c4)cnc23)cc1 96243512 FVDBFLVTNMPGMZ-UHFFFAOYSA-N 427.530 2.418 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H](c2cccs2)c2sc(=O)[nH]c2S[C@H]31 100912668 DVRQTSNAVXBUAN-SKGYHVJYSA-N 448.547 2.056 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(F)cc2)cc1 113937084 GNBGXYVTWXLFJQ-UHFFFAOYSA-N 435.521 2.240 0 40 IEAB COC(=O)c1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)c1 224253972 RLWXNMIERMYOIU-UHFFFAOYSA-N 438.527 2.463 0 40 IEAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)C1 225782941 PSPNVSTZTHTFKQ-CQSZACIVSA-N 430.480 2.365 0 40 IEAB C[C@H](NC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)[C@@H]1C[C@H]2CC[C@H]1C2 248382491 XBJZWMFOJYZFMH-OANSFESGSA-N 439.560 2.275 0 40 IEAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2n[nH]c(=O)[nH]2)CC1 257318810 VPMIFURYORJPOX-UHFFFAOYSA-N 433.512 2.366 0 40 IEAB O=C(CN1CCC[C@](O)(COc2ccccc2F)CC1)NCc1cccc2c1OCO2 585271497 AHVZYGITHWBEEQ-HSZRJFAPSA-N 430.476 2.467 0 40 IEAB Cc1ccccc1CNC[C@H]1O[C@@H]2C[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@@H]1O 604381781 ODGROWIYDDQDOP-MNEQBICUSA-N 428.504 2.216 0 40 IEAB biogenic,in-vitro Cn1cc(C(=O)N2CCC3(CCCCc4ccccc4OCCCNC3=O)CC2)nn1 643557613 VBKWKIWITLRADJ-UHFFFAOYSA-N 425.533 2.349 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)NCC3(OCCO)CCSCC3)n(C)n2)c1 828765313 FIIYORSMAUCIDZ-UHFFFAOYSA-N 435.546 2.109 0 40 IEAB COc1ccc(NS(C)(=O)=O)cc1NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 1556710146 XOAVVQHQGOJGLW-OKILXGFUSA-N 434.518 2.328 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)cc1 2645638 NJGBEJVDYHBFCY-LJQANCHMSA-N 447.944 2.287 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CNC(=O)c1ccc(OCC)cc1 4195075 SWQFGEOWLKYNMY-UHFFFAOYSA-N 430.457 2.363 0 40 IEAB COC(=O)[C@H]1Cc2cc(OC)c(OC)cc2[C@@H](c2ccc(OC)c(OC)c2)[C@H]1C(N)=O 4777839 OTESDCAELZGMGO-RVHYNSKXSA-N 429.469 2.300 0 40 IEAB CCN(CC)C(=O)CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O 6218799 RXRFCPMOYCZXMQ-UHFFFAOYSA-N 425.485 2.368 0 40 IEAB Cc1ccc2cc(CN(CCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1 6409575 XTQPQAPVDYBOSD-UHFFFAOYSA-N 430.511 2.024 0 40 IEAB CC[C@@H](C)N(C(=O)COC(=O)COc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 6551769 ZDOPPSSOIJLPOH-MSOLQXFVSA-N 425.547 2.348 0 40 IEAB Cn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc21 8725158 LKLPHIHKXYYIFW-UHFFFAOYSA-N 446.554 2.325 0 40 IEAB CN(c1nc2ccccc2nc1NS(=O)(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 9090283 QGEZAOGPXYWJLI-GFCCVEGCSA-N 438.556 2.115 0 40 IEAB COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc(C(=O)OC)c1 9288688 DEODWIHKBPDJJW-HNNXBMFYSA-N 426.425 2.260 0 40 IEAB CCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 9513335 LJGTYQFQNRVMEL-CYBMUJFWSA-N 436.486 2.315 0 40 IEAB Cn1c(=O)c2c(SCC(=O)Nc3nccs3)nc(C3CCCCC3)nc2n(C)c1=O 9517471 FLINLERORFIKKX-UHFFFAOYSA-N 446.558 2.262 0 40 IEAB CCCn1c(N)c(C(=O)CSc2nnc(Nc3ccccc3C)s2)c(=O)[nH]c1=O 10212074 DLJQBAGTVSFNEF-UHFFFAOYSA-N 432.531 2.407 0 40 IEAB Cn1c(Cl)cnc1CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 12876583 KEKHXLFJPULOCN-UHFFFAOYSA-N 438.859 2.479 0 40 IEAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CCNC(=O)c1ccccc1 14863337 LKGQXTCLVJGDSL-UHFFFAOYSA-N 438.528 2.130 0 40 IEAB Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(Cc1ccc(N3CCCC3=O)cc1)C2 19701399 HZCXVTOSUCTEBP-QFIPXVFZSA-N 444.539 2.358 0 40 IEAB O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)c1ccc(NC(=O)C2CC2)cc1 21682978 NBGALYZHWKCMJW-UHFFFAOYSA-N 427.935 2.458 0 40 IEAB O=c1[nH]c(CN2CCN(C[C@@H](O)COCc3ccccc3Cl)CC2)nc2ccccc12 22766669 XLSQYPNGIYVTFP-GOSISDBHSA-N 442.947 2.272 0 40 IEAB COc1ccc(C(=O)N2CCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 29117978 KJJFRRFDPGJEOE-UHFFFAOYSA-N 428.485 2.248 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccc(F)cc3)C2)cc1 29298793 YASQCYORFWZDOG-INIZCTEOSA-N 436.505 2.430 0 40 IEAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 30210061 HKJGFKOYGIZOBR-CYBMUJFWSA-N 436.361 2.246 0 40 IEAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 30419322 TZZGQGAFEZKDPX-ZWOKBUDYSA-N 434.562 2.208 0 40 IEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)C2=O)cc1 31632307 XBKMUWFOFCMKMO-HXUWFJFHSA-N 449.916 2.458 0 40 IEAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NC[C@@H]1COc2ccccc2O1 32668314 BFQSOUKTUDBQBQ-OAHLLOKOSA-N 449.492 2.157 0 40 IEAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 35419807 UJSKBCMGWVCJFN-UHFFFAOYSA-N 433.848 2.219 0 40 IEAB COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(F)cc2)cc1OC 35672553 UZHNKKMTNNAXGU-MRXNPFEDSA-N 443.518 2.221 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NCc2ccc(F)cc2)cc1 39657706 SUULXTXHNHMMIT-IBGZPJMESA-N 434.489 2.147 0 40 IEAB CCOC(=O)CCN(CC1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 48279211 RGVGCCBNVSEVOP-UHFFFAOYSA-N 446.591 2.071 0 40 IEAB COCCN(CCOC)C(=O)Cn1nc(-c2cccs2)c(-c2cc(C)no2)cc1=O 57741965 WGCUEECBSMMNHX-UHFFFAOYSA-N 432.502 2.057 0 40 IEAB NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 58312168 NGRVZAUHLOIBAJ-GOSISDBHSA-N 432.471 2.493 0 40 IEAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccc(F)cc2)cc1)c1cnccn1 67896582 SWUBMOFQGSSDDI-IFMALSPDSA-N 436.443 2.329 0 40 IEAB biogenic,in-vitro COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c1 79108677 RJUZKGOSHOXIDI-QGZVFWFLSA-N 445.541 2.483 0 40 IEAB CCCn1nc(C)cc1CN(C)c1ncc2c(=O)n(Cc3ccccc3F)c(=O)[nH]c2n1 90591816 RDBXPYZZMFLTTG-UHFFFAOYSA-N 437.479 2.219 0 40 IEAB CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccc4nccnc34)C2)c1 95115955 FPTYGMYFYOJEOX-GOSISDBHSA-N 445.526 2.112 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)CN(Cc1ccc(C)cc1)S(C)(=O)=O 224151270 RTFUNQALGPELHF-UHFFFAOYSA-N 447.557 2.162 0 40 IEAB CC(C)(CN1CCOCC1)NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248271360 ZOKCQZXVSRBLOW-MIVVTYSHSA-N 427.545 2.168 0 40 IEAB CN1CCN(C(=O)Cn2ccc3ccccc32)C[C@@H]1C(=O)NCc1ccc2c(c1)CCCO2 257210173 BTNVEWDEBKKJRJ-HSZRJFAPSA-N 446.551 2.425 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257255458 KHNQLMYBHBBIAM-MCLIINAXSA-N 426.517 2.275 0 40 IEAB O=C(c1ccccc1)N1CCc2nc3n(c(=O)c2C1)CC1(CCN(C(=O)C2CCC2)CC1)C3 306130499 JIJPPVZPCDWSMF-UHFFFAOYSA-N 446.551 2.407 0 40 IEAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408653692 FKLFOBRAOBBFRA-WYZBVHOTSA-N 438.480 2.203 0 40 IEAB CCOc1ccccc1N(CC(=O)N1CCN(CC)CC1)S(=O)(=O)c1ccccc1 409270699 HEXPVIAZZVGIOC-UHFFFAOYSA-N 431.558 2.445 0 40 IEAB Cc1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc(C(F)(F)F)n1 585149386 NBFOAWKRLJUNEP-UHFFFAOYSA-N 444.435 2.086 0 40 IEAB O=C1NC(=S)NC(=O)C1[C@H](O)c1cc(Br)ccc1OCc1ccccc1 687984 ARDPYYLRZPLEGK-OAHLLOKOSA-N 435.299 2.209 0 40 IEAB C[C@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)Nc1ccc2c(c1)OCCO2 2640853 MNVBGVMIVWBQNT-HNNXBMFYSA-N 435.436 2.247 0 40 IEAB COC(=O)c1sc(NC(=O)COC(=O)c2ccc(Cl)nc2)c(C(=O)OC)c1C 3470677 NVMDJLZEJNRWBH-UHFFFAOYSA-N 426.834 2.474 0 40 IEAB CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)O 8893177 SGYDNARVYPYITD-HNNXBMFYSA-N 434.967 2.063 0 40 IEAB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 10445473 WVFAEVRETUMZDC-UHFFFAOYSA-N 448.497 2.348 0 40 IEAB COc1ccccc1OCC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3C)cnc21 12072151 ABSOIJXSDVOTMW-UHFFFAOYSA-N 447.495 2.154 0 40 IEAB CCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N2CCC(c4nc(C)c(C(C)=O)s4)CC2)[C@@H]3C1=O 12186159 DJQWXXVMMUMIOI-PEOGOYOCSA-N 429.542 2.162 0 40 IEAB Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Br)cc2)n1 12515936 YCSSRXVHMHTJBK-UHFFFAOYSA-N 429.278 2.037 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccc(N2CCCC2)cc1 12553942 CCZAAIJFXMCUCL-UHFFFAOYSA-N 446.548 2.371 0 40 IEAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1 12907833 SUFLGEVGGOXATA-UHFFFAOYSA-N 430.349 2.361 0 40 IEAB Cc1cc(Cl)ccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12972984 VJIMKKLBCUUOJF-UHFFFAOYSA-N 438.937 2.125 0 40 IEAB COc1cccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(Cc6cccnc6)C(=O)[C@@H]45)[C@H]23)c1OC 13592215 PYZGEYWAIQZZEJ-ZOJVQOKSSA-N 433.464 2.269 0 40 IEAB O=c1c(Cl)c(N2CCN(Cn3nnc(-c4ccccc4)n3)CC2)cnn1-c1ccccc1 14245662 PJOMVJMGDWPXKN-UHFFFAOYSA-N 448.918 2.319 0 40 IEAB COc1ccc2c(CN3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)cc(=O)oc2c1 15048294 KQOMIPGDLMWECF-JOCHJYFZSA-N 436.464 2.428 0 40 IEAB O=C(c1cc2c(s1)CCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 16046256 KPLROXUMZGFEDQ-UHFFFAOYSA-N 434.539 2.155 0 40 IEAB COc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OC 16195130 NCHBUYOUPCYMKX-UHFFFAOYSA-N 429.336 2.446 0 40 IEAB O=C(NCCc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccs2)CC1 18073413 ZWVBVZYJGCWODD-UHFFFAOYSA-N 436.555 2.279 0 40 IEAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)c2ccccc2O1 18940814 CGVZAULYERYKQO-IBGZPJMESA-N 432.498 2.346 0 40 IEAB CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4ccc(Cn5cccn5)o4)CC3)cc2n1 19585757 QSFKGLSBFYRANR-UHFFFAOYSA-N 447.499 2.242 0 40 IEAB CC(C)NC(=O)c1sc2ncccc2c1[C@H]1CN(S(=O)(=O)N2CCCC2)CCO1 19703071 IPLZXMROJIQQAY-OAHLLOKOSA-N 438.575 2.148 0 40 IEAB CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccncc4)CCO3)nc3ccccc23)CC1 19759175 KZEJBBKRIOOAMY-QHCPKHFHSA-N 445.523 2.231 0 40 IEAB CCN1CCN([C@H](c2cc3ccc(OC)cc3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19940374 QWRHVGZRZYEBRM-OAQYLSRUSA-N 437.548 2.365 0 40 IEAB C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 26844052 VABREUUKVNSLOX-KRWDZBQOSA-N 430.549 2.122 0 40 IEAB COc1ccc(CN2CCN(C(=O)CCNC(=O)c3ccccc3)CC2)c(OC)c1OC 30535367 XPRYZRWDYWIGNS-UHFFFAOYSA-N 441.528 2.177 0 40 IEAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3cccc(NS(C)(=O)=O)c3)ccc21 32916602 BTLDBIGMFCWBRL-CYBMUJFWSA-N 437.543 2.007 0 40 IEAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccc(I)cc1 57840219 NJBAMLIWIXNIEA-UHFFFAOYSA-N 449.204 2.323 0 40 IEAB O=S(=O)(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccnc1 72002531 BOCCYVHWXSAVIT-UHFFFAOYSA-N 427.505 2.421 0 40 IEAB O=C(COc1ccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ccccn3)C2)cc1)N1CCOCC1 72392553 IEQDEAUACZCAFM-HOKHCIIBSA-N 437.540 2.049 0 40 IEAB CC1=C(C(=O)O)N2C(=O)[C@@H](N(C(=O)OC(C)(C)C)C(=O)[C@H](N)c3ccccc3)[C@H]2SC1 142064387 RDUTVZFUDUDJSE-DDUZABMNSA-N 447.513 2.092 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)cc1 206847671 RJKBGTWKICGLCU-INIZCTEOSA-N 429.454 2.311 0 40 IEAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223177730 LBAMVERFQWLTJL-LEWJYISDSA-N 429.590 2.224 0 40 IEAB CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)nc1C 223249639 GHLKLVWMYOATRA-UHFFFAOYSA-N 441.531 2.204 0 40 IEAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224623247 CNEOILOXSQYPEY-QHAWAJNXSA-N 439.556 2.314 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCSC(C)(C)C 224650780 UKGQBYZKGSKJQL-UHFFFAOYSA-N 444.619 2.297 0 40 IEAB O=C(O)c1cnc([C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)[nH]c1=O 224969267 DTOWPCVYCAZTFG-SECBINFHSA-N 432.285 2.343 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NC(C)C)cc1OC 225133770 RHGCNMYJVLGURZ-UHFFFAOYSA-N 449.529 2.101 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 257294760 QVPSLVZJWBZACU-INIZCTEOSA-N 430.465 2.220 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 408601025 DQOHZOHTHHXZDM-OAHLLOKOSA-N 436.530 2.128 0 40 IEAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)c1 409376192 VRFNLGNOEJLQRQ-UHFFFAOYSA-N 445.541 2.207 0 40 IEAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1CCN(C(=O)c2ccco2)CC1 1081814710 ODQRHGSVZSGCPI-UHFFFAOYSA-N 437.496 2.159 0 40 IEAB CCOc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)O[C@@H](C)C2 1136514861 WAIGESWITOFXIY-KGLIPLIRSA-N 434.514 2.320 0 40 IEAB O=c1c2ccccc2ncn1CC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1775972774 VJFVTJYYFSKBMA-UHFFFAOYSA-N 441.509 2.269 0 40 IEAB O=C(NCC1CC1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)c2cccc(Cl)n2)C1 2055793454 GPDRMNFGTQNJQN-NRFANRHFSA-N 428.924 2.335 0 40 IEAB O=C(NCCCc1ccccc1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 3007719 LAJGEAHDHALMPI-UHFFFAOYSA-N 433.508 2.432 0 40 IEAB COC(=O)c1sc(NC(=O)COC(=O)Cn2cnc3ccccc32)c(C(=O)OC)c1C 3292920 ZBUOLPFIXNCWIJ-UHFFFAOYSA-N 445.453 2.161 0 40 IEAB COc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)c(OC)c1 4249497 WBECLZBKYWPUJN-AWEZNQCLSA-N 427.505 2.358 0 40 IEAB Cc1ccc2ccccc2c1CSc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 4723118 NSYRTUCJWAVRER-VGYLUTEMSA-N 438.509 2.192 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 8613892 BCHPNUONZCIDKK-UHFFFAOYSA-N 434.470 2.065 0 40 IEAB COc1ccc(Cn2nnnc2Sc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 8706885 HARXEZFULDFHPI-UHFFFAOYSA-N 446.558 2.451 0 40 IEAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 8750551 ABECDHKZUGRKEW-LJQANCHMSA-N 435.889 2.149 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1=O 8776227 YELPJPILLGKADA-QFIPXVFZSA-N 438.440 2.007 0 40 IEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)/C=C/c2ccc3ccccc3n2)C1=O 8825075 UQFLIFUEWFPKJP-XIQMRYHBSA-N 444.447 2.290 0 40 IEAB Cc1cc(=O)oc2cc(OC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc12 9284713 GZESVUGHNGNBBC-UHFFFAOYSA-N 429.450 2.342 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)CC1 9414995 ACGIIORGMYMYPU-UHFFFAOYSA-N 444.492 2.323 0 40 IEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 9875941 FMOJYIFVJNIFHW-UHFFFAOYSA-N 431.452 2.360 0 40 IEAB O=C(/C=C/c1ccccc1)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 11796216 XIEKAXTUGBVCRH-KPKJPENVSA-N 431.533 2.497 0 40 IEAB Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2ccccc2C(F)(F)F)=C1 12155214 VNRLALBPXGOYAF-UHFFFAOYSA-N 427.408 2.249 0 40 IEAB CC(=O)N1CCC[C@](C[C@@H]2CC(c3ccccc3F)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 12162875 JHVXHSRPSOIUHT-TXBYWVTISA-N 432.540 2.404 0 40 IEAB CC(=O)N1CCN(C(=O)c2ccc3nc(NS(=O)(=O)c4ccccc4)sc3c2)CC1 13722808 JMKYFBNXGFTVRJ-UHFFFAOYSA-N 444.538 2.401 0 40 IEAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 14180710 HKNBBKYLJJPNAD-DEOSSOPVSA-N 434.496 2.283 0 40 IEAB CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 14252302 LJNFLCZEEYDWEM-SBUREZEXSA-N 426.469 2.227 0 40 IEAB CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 14830983 LHMDQDDNSBPGJB-UHFFFAOYSA-N 431.514 2.052 0 40 IEAB COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1OC 16291320 QAOOHFQVCFKWDH-UHFFFAOYSA-N 436.530 2.000 0 40 IEAB CCCn1c(=O)n(CCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 17853705 NJSXWCUJJWOGMC-HNNXBMFYSA-N 430.530 2.128 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)N[C@H]4CCCOC4)on3)CC2)cc1 19211358 FMNMHYQQYOYKST-KRWDZBQOSA-N 433.530 2.460 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3cn(C)c4ccccc34)CC2)cc1 19290376 DAQZERPTARIFSU-JOCHJYFZSA-N 429.542 2.227 0 40 IEAB NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 19331643 WBHDEHFXXAGHDV-JTSKRJEESA-N 446.594 2.486 0 40 IEAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19528605 QJGCXYVLEIFEMX-VWLOTQADSA-N 445.523 2.433 0 40 IEAB Cc1noc(C)c1CC(=O)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19695585 XIKRTXNFXSLQDJ-RUZDIDTESA-N 448.523 2.386 0 40 IEAB Cc1cc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1N1CCCC1=O 20455298 AJYQSRONCBRCHK-UHFFFAOYSA-N 437.543 2.318 0 40 IEAB O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 20624067 QQRFORDONXVVOA-NRFANRHFSA-N 427.570 2.432 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)c(OC)c1 21692922 XXZCURVYFRMGQQ-AWEZNQCLSA-N 428.441 2.247 0 40 IEAB CS(=O)(=O)c1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccco3)nc12 23109497 FSWJWZKLUMZBTF-UHFFFAOYSA-N 435.527 2.272 0 40 IEAB CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1N1CCOCC1 32741866 UKACRZRRMOKTJR-UHFFFAOYSA-N 433.534 2.273 0 40 IEAB CCn1c(=O)n(CCC(=O)NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc21 32895838 GCVLPTMPDYIDQL-IBGZPJMESA-N 428.558 2.464 0 40 IEAB O=C(c1ccccc1-n1cccn1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 32932300 WZJCJFUZGYTDBB-UHFFFAOYSA-N 432.452 2.297 0 40 IEAB O=C(Nc1cc2c(cc1Cl)OCCO2)N1CCN(S(=O)(=O)c2cccnc2)CC1 40104325 MEUBHGLHHGJXKC-UHFFFAOYSA-N 438.893 2.045 0 40 IEAB COc1cc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc(OC)c1OC 40312717 WLCDQYNJJUNPIY-JOCHJYFZSA-N 425.441 2.260 0 40 IEAB biogenic COc1ccc(OCc2noc(CNC(=O)CCn3cnc4ccccc4c3=O)n2)cc1 44227394 HAIAYYORJPCYLF-UHFFFAOYSA-N 435.440 2.074 0 40 IEAB CCSc1nnc(NC(=O)[C@@H]2CCCN(Cc3nc(-c4ncccn4)no3)C2)s1 62022916 GAMDJYPPISBVAB-LLVKDONJSA-N 432.535 2.341 0 40 IEAB Cc1oc(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)cc1S(=O)(=O)N1CCCC1 65521006 LQRPQOCRSZOXDK-LBPRGKRZSA-N 433.486 2.194 0 40 IEAB CNC(=O)c1cccc(-c2noc(C3CN(C(=O)NCCc4ccc(OC)cc4)C3)n2)c1 77191206 LDLVQHAIEYXHGM-UHFFFAOYSA-N 435.484 2.456 0 40 IEAB CCOC(=O)c1sc(NC(=O)C[C@@H]2N=C(O)N(CCc3ccccc3)C2=O)nc1C 95475414 PNEFDDVXKVVSIH-AWEZNQCLSA-N 430.486 2.324 0 40 IEAB O=C(Cn1nc2c(cc1=O)CCCC2)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 96345024 AXGNVQSPIXVFOQ-UHFFFAOYSA-N 433.512 2.024 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]32)cc1 101218093 SPWQDCZRSZDCJA-MOPGFXCFSA-N 435.440 2.104 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 108846928 MJUFNTWJSNZMJR-ZOBUZTSGSA-N 438.546 2.279 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc2c(c1)OCO2 222709567 AJKVZLVAZOXFOK-UHFFFAOYSA-N 432.483 2.339 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)c1 223135763 NDIHNOYWYMWMFU-VLIAUNLRSA-N 434.514 2.417 0 40 IEAB CC(=O)N1CCCN(C(=O)[C@]2(Cc3cc(-c4ccccc4)no3)CCN(C(C)=O)C2)CC1 257226253 FJVSMJBWEDKMAU-DEOSSOPVSA-N 438.528 2.204 0 40 IEAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 408526760 CFJGGKJMPYQZDH-UHFFFAOYSA-N 443.569 2.371 0 40 IEAB COC[C@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408629572 DQLZFWLPSMADJV-AWEZNQCLSA-N 440.493 2.189 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408671073 YINJLSMHQVVXDT-OGCKGYDTSA-N 434.876 2.252 0 40 IEAB Cc1ccc(N(C[C@@H](O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccc(C)cc2)cc1 1303232 IZPRAKDROYCAJQ-SFHVURJKSA-N 445.541 2.190 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 8735282 IYSGONZKLBIOAP-UHFFFAOYSA-N 429.420 2.047 0 40 IEAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 8897209 GLQRGSYZYJDWQV-SFHVURJKSA-N 442.541 2.232 0 40 IEAB COc1cc(N2C(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C(=O)N=C2O)cc(OC)c1OC 9089989 LTVLCRGFNMEUCZ-HSZRJFAPSA-N 439.468 2.487 0 40 IEAB COc1ccc(-n2c(-c3ccc4c(c3)OCO4)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9126729 JACJNBLCNLVXSZ-UHFFFAOYSA-N 445.435 2.080 0 40 IEAB C[C@H]1CCc2sc(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1 9128797 XJOVODBNUQWXRZ-ZDUSSCGKSA-N 436.555 2.036 0 40 IEAB COC(=O)c1ccccc1NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC 9491661 MBDHWBCQFLBQQE-UHFFFAOYSA-N 427.456 2.217 0 40 IEAB C[C@H](NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)C(=O)NC1CC1 9547631 TUQHXWPNLGPXBU-INIZCTEOSA-N 425.533 2.012 0 40 IEAB CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccc(S(C)(=O)=O)c3)sc2c1 9660505 KPERLOIBIYWNNT-UHFFFAOYSA-N 439.540 2.202 0 40 IEAB Cc1nn(C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 10086147 FPLYDOVMCBPBGL-UHFFFAOYSA-N 445.372 2.419 0 40 IEAB COc1cccc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1OC 12875840 CWVZHDOZDKDGKF-INIZCTEOSA-N 426.469 2.487 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 12976446 UMJWIVNQELUXCH-KOSHJBKYSA-N 437.496 2.409 0 40 IEAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1C 12997051 RRPHNERFJORVCQ-UHFFFAOYSA-N 437.493 2.094 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 13001240 BCFBXPOYOGAZBG-ZDUSSCGKSA-N 426.498 2.197 0 40 IEAB CC(C)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 13074052 OXHMDKXAGUZQTJ-SECBINFHSA-N 430.832 2.093 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2)cc1 14242930 XVVFFOGGHULMNM-HOCLYGCPSA-N 432.498 2.435 0 40 IEAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCC[C@H](C(=O)N2CCOCC2)C1 14554676 IFWSUXKEDACGSG-SFHVURJKSA-N 446.507 2.097 0 40 IEAB COc1ccc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)cc1OC 15675197 AUVXSCDBWYZKEL-UHFFFAOYSA-N 429.860 2.368 0 40 IEAB COc1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cc1 15952176 ZYBJXDCXXDQHMY-UHFFFAOYSA-N 431.470 2.214 0 40 IEAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(CC(=O)N(C)C1CCCCC1)CC2 19710554 VTLVOXARTUJAND-GOSISDBHSA-N 442.608 2.393 0 40 IEAB CNc1nc(C2CCN(C(=O)CCN3CCC[C@H](C)C3)CC2)nc2c1CCN(C(C)=O)C2 19710838 SZXSYZJMAZOXJP-KRWDZBQOSA-N 442.608 2.251 0 40 IEAB COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCN(C)CC2)cc1 22795365 MMPTXIFPFVHGOY-OAQYLSRUSA-N 444.963 2.070 0 40 IEAB COc1ccc(OCCN(C)C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 23187389 NGFBFINPDVLBMH-UHFFFAOYSA-N 433.530 2.028 0 40 IEAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)[C@@H]3C[C@H]3C)ccc2OC)cc1 23189114 QKSOEMGTOMMGMT-CXAGYDPISA-N 447.513 2.215 0 40 IEAB CCN1CCN(C(=O)[C@H](C)Sc2nnnn2-c2ccc(OC(F)(F)F)cc2)CC1 24601936 NCXJDCVHYHHWPV-LBPRGKRZSA-N 430.456 2.206 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cnn(-c2ccc(O)nn2)c1C(F)(F)F 30662614 MKNXXYXEDKBYRW-UHFFFAOYSA-N 434.378 2.476 0 40 IEAB CS(=O)(=O)c1nsc(NC(=O)c2cc(=O)c3ccc(Br)cc3o2)n1 32593744 QQNHSIWWDAGJMI-UHFFFAOYSA-N 430.261 2.063 0 40 IEAB CCCCn1c(=O)c2sccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O 57427117 RPFIAARWGIEPIZ-UHFFFAOYSA-N 445.541 2.401 0 40 IEAB COc1cc(CNC(=O)CN2CCC(c3n[nH]c(C4CC4)n3)CC2)cc(OC)c1OC 69967005 KYWIUUGRXOEYQM-UHFFFAOYSA-N 429.521 2.204 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N[C@@H]3CCCC[C@H]3C)CC1)CNC2=O 72328022 JRJYJJIJSYACCC-XKPFWTEKSA-N 443.544 2.264 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)CC2=O)cc1C 77148682 DPJXKEIIFUWHGL-GOSISDBHSA-N 437.544 2.293 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)CC1 77200354 FIHWQAHGQBFUSN-ZWKOTPCHSA-N 441.525 2.473 0 40 IEAB O=C(O)[C@@H]1[C@H]2O[C@@H](C(Br)=C2Br)[C@@H]1C(=O)Nc1cccc(O)c1 100352137 RBSYPJCXJJPQJM-IWXIMVSXSA-N 433.052 2.430 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cc(Cl)ccc3OC)C2=O)cc1 101166117 HLTLPJSXYXPNGE-MSOLQXFVSA-N 443.847 2.289 0 40 IEAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC)cc1 222714016 SSQGVLFBHXLNDZ-QGZVFWFLSA-N 431.558 2.081 0 40 IEAB CCc1ccccc1N(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)S(C)(=O)=O 408619777 NHMHWQAYSONDAU-UHFFFAOYSA-N 448.497 2.227 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408656832 JHVIXGZZPQALIX-NHQIJDEQSA-N 428.485 2.233 0 40 IEAB CCOC(=O)C1=C(C)N=C(SCC(=O)OC)N[C@@H]1c1cc(OC)c(OC)c(OC)c1 408990848 ONGKNFFLXIIBPX-QGZVFWFLSA-N 438.502 2.456 0 40 IEAB Cc1ccccc1-n1ncc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1N 546672934 UPCDZGNYBKGEEB-UHFFFAOYSA-N 433.468 2.090 0 40 IEAB COc1ccc(CCNC(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1 585147759 YASSIJWYJYQNTQ-UHFFFAOYSA-N 430.530 2.271 0 40 IEAB COc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(OC)cc4OC)cnc32)cc1 1775966674 SXFXVZQDIFSDMS-UHFFFAOYSA-N 435.440 2.247 0 40 IEAB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 1426232 PWRWWNARZVSFOM-GOSISDBHSA-N 447.513 2.454 0 40 IEAB CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)ccc1Cl 8692503 DCTLIFSROXWYIE-UHFFFAOYSA-N 440.861 2.115 0 40 IEAB NC(=O)[C@H]1CN(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c2ccccc2O1 8727516 DXTBLKZZYPDXAO-GOSISDBHSA-N 446.488 2.405 0 40 IEAB O=C1Nc2ccccc2/C1=C1\SC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 9234126 ZCNRMIWUHVSKKF-FMQUCBEESA-N 448.504 2.394 0 40 IEAB CC(C)Cc1nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)N3CCSCC3)c2n1C 12078994 YEXAFJFSKNSDOI-UHFFFAOYSA-N 439.607 2.179 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)NC3CCC(C)CC3)CC1)O2 12087108 ZROHBCOXBLBDGU-DFSZNTFHSA-N 443.544 2.264 0 40 IEAB CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CCN(C(=O)c2cncc(O)c2)CC1 12133037 XOIJTYVJRHJJOV-UHFFFAOYSA-N 439.497 2.063 0 40 IEAB CC(C)(C)NC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1cccs1 12488045 SQMMULIAFJLBIV-UHFFFAOYSA-N 431.514 2.150 0 40 IEAB Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H]1CCSc2ccc(F)cc21 12947492 IRCHHWWVRJIXDC-INIZCTEOSA-N 439.534 2.152 0 40 IEAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 13121133 OMFCDGBCCWGQAV-VXGBXAGGSA-N 426.589 2.049 0 40 IEAB CSC[C@@H](CNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)O 13403511 IZSJZIUMRYUOGO-BRMCRPDNSA-N 442.493 2.366 0 40 IEAB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1 15421393 NHJDLUXDNUUNPJ-UHFFFAOYSA-N 431.514 2.238 0 40 IEAB CCN(CC)S(=O)(=O)N1Cc2ccccc2OC2(CCC(N3CCOCC3)CC2)C1 19526472 IRDXAJGKRFBOLH-UHFFFAOYSA-N 437.606 2.481 0 40 IEAB NC(=O)C1CCN(C(=O)CN2CCO[C@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)CC1 19692531 SPLROQYPETTYSJ-NRFANRHFSA-N 442.947 2.499 0 40 IEAB CCc1cc(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)C2)on1 19694992 AYDBJMNXYVNNMS-MRXNPFEDSA-N 434.500 2.489 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccn3)CC1)C2=O 19699414 QJWWHGVJPIKZPZ-UHFFFAOYSA-N 447.539 2.273 0 40 IEAB CN(C)C(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 19700121 UVRJNERFYDLONZ-OAQYLSRUSA-N 434.540 2.267 0 40 IEAB COCCc1ncc(CN2CCO[C@@]3(CC=CCN(CCc4ccccc4)C3=O)C2)cn1 19704399 WSSNYBFTRXOHHK-VWLOTQADSA-N 436.556 2.268 0 40 IEAB CC(=O)N1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccccc3)nc(N(C)C)c2C1 19710390 KQOKPIBUKLOJAC-HXUWFJFHSA-N 443.573 2.363 0 40 IEAB CCS(=O)(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)C1 19738913 DXGZRXQCKURNEK-GOSISDBHSA-N 428.558 2.446 0 40 IEAB O=C(c1ccc(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1)N1CCCC1 21416584 ISHJLMBCXXAVPC-UHFFFAOYSA-N 434.606 2.161 0 40 IEAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCC[C@@H](C(F)(F)F)C1 22382522 SEBJQOACUYWDGT-UKRRQHHQSA-N 448.463 2.412 0 40 IEAB COc1ccc([C@@H](CNS(=O)(=O)c2ccc(OC)c(C)c2)N2CCN(C)CC2)cc1 22795042 HEXODJYMUJNSMO-OAQYLSRUSA-N 433.574 2.279 0 40 IEAB Cc1c(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)oc2ccc(Br)cc12 25204504 IZBDXYJAUQXNNM-UHFFFAOYSA-N 430.324 2.068 0 40 IEAB COc1ncccc1CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 31321395 CINVEBCNSHAMSI-UHFFFAOYSA-N 440.319 2.223 0 40 IEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(C(=O)N(C)C)cc1)C2=O 32905499 BSDNXENPEMZKEJ-CMJOXMDJSA-N 428.533 2.141 0 40 IEAB CN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(c1ccccc1)c1ccccc1 32969851 ALZCYXMMRRYMCA-UXHICEINSA-N 426.538 2.270 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 40062037 ZSYLMLNDABNITD-JOCHJYFZSA-N 430.512 2.285 0 40 IEAB COc1ccc(C)cc1NC(=O)Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21 67318824 HVOJBWKPPHXMEI-UHFFFAOYSA-N 435.480 2.430 0 40 IEAB COC(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)cc1 72325342 NBJJSYZUTOQAIX-XMMPIXPASA-N 435.480 2.420 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCC[C@@H](C)[C@H]3C)CC1)CNC2=O 72328025 YVAYBFDRDOIBNJ-OJLQRUNKSA-N 443.544 2.216 0 40 IEAB COc1ccc(C)cc1NC(=O)CN1CCC(n2nnn(-c3cccs3)c2=O)CC1 72337603 TUAMPDJPLWWFLP-UHFFFAOYSA-N 428.518 2.083 0 40 IEAB COc1cc(CCC(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)cc(OC)c1OC 89426553 CYOYYJGWLNALTD-UHFFFAOYSA-N 443.500 2.219 0 40 IEAB COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)nc2cc(C)ccn2c1=O 96113830 QMHQULYFJLYBCO-HNNXBMFYSA-N 435.436 2.254 0 40 IEAB biogenic NC12C3(Cl)[C@]4(Cl)C5(Cl)C6(OCCO6)C(Cl)([C@@]14Cl)[C@]2(Cl)[C@@]53Cl 104026266 SCZXBBBDPYAIBO-GQJYVWRISA-N 432.345 2.338 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222387038 GEODIDRGYVGOIL-SFHVURJKSA-N 431.558 2.087 0 40 IEAB COC(=O)c1cc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1Cl 223829912 BWJSJCRDLQZDCT-UHFFFAOYSA-N 432.907 2.323 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1)c1ccccc1F 224785273 YAWFONVJGDGLOA-UHFFFAOYSA-N 448.564 2.351 0 40 IEAB COc1cccc(CCN2CC(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@H]32)c1 230110288 SQIOGQBSNAYZOK-UXHICEINSA-N 434.945 2.406 0 40 IEAB COCC(=O)N1CCc2c(nc3cc([C@H]4CCCN4C[C@@H]4CC=CCC4)nn3c2O)C1 247811340 CUKHGQWODODVRM-OXQOHEQNSA-N 425.533 2.459 0 40 IEAB Cc1cn([C@@H]2CN(C(=O)c3ccc4[nH]c(C(C)C)nc4c3)CC[C@@]2(C)O)c(=O)nc1O 257258447 KTXBCPHYTLVQEQ-VGOFRKELSA-N 425.489 2.095 0 40 IEAB CCOc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 260840414 UXSSIAMQPXDESQ-OAHLLOKOSA-N 434.514 2.500 0 40 IEAB COc1ccc(CN2CC[C@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)cc1 306128972 HPWCNQFQONIFFW-DEOSSOPVSA-N 436.487 2.049 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2cc(C)ccc2C)cc1 408619865 OBBNRGOHSCAEMP-UHFFFAOYSA-N 445.585 2.256 0 40 IEAB COc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 408655722 LWDVMXRKJPSQPO-OAHLLOKOSA-N 425.441 2.188 0 40 IEAB COc1ccc(CCNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC 408680994 VFVIVGGVBFFZBY-UHFFFAOYSA-N 428.457 2.107 0 40 IEAB O=C(O)[C@H]1CCN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@H]1C(=O)O 547923089 MCSCPHTVJSRUPL-NWDGAFQWSA-N 430.891 2.260 0 40 IEAB O=S1(=O)CC[C@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575422251 APDHSYWXTMNCCZ-RYUDHWBXSA-N 428.359 2.350 0 40 IEAB CC(C)NC(=O)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(F)C1)C2 585107044 OXKUAWYIEVODKJ-PVWAMWICSA-N 425.508 2.393 0 40 IEAB O=C1NC[C@]2(CCCCCOc3ccccc31)CCCN(C(=O)CN1CCOCC1)C2 643559496 LQDGBZYUJGUARW-DEOSSOPVSA-N 429.561 2.310 0 40 IEAB CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N3CCN(C)CC3)cc2C1 643575346 HZRJXKSKTHDMLK-UHFFFAOYSA-N 444.620 2.283 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(c4ncc(Br)cn4)CC3)n2)n1 1775996305 SXQZLKFQCOIXJM-UHFFFAOYSA-N 430.310 2.440 0 40 IEAB COCCNC(=O)[C@H]1C[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](c2cnc(C(C)C)[nH]2)[C@@H]1O 2332241880 ZTVCWAJQJYYJEY-QFHJOOASSA-N 447.511 2.090 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccccc1 910977 VUBKTYPGNIZHBA-ZMUHTPIZSA-N 434.473 2.137 0 40 IEAB CCCCn1c(SCC(=O)Nc2ccccc2OCC)nc2c1c(=O)n(C)c(=O)n2C 6162152 RNAMYIJRBINUTN-UHFFFAOYSA-N 445.545 2.363 0 40 IEAB CC(=O)c1ccc(N2CCN(S(=O)(=O)c3c(C)nc4sc(C)cn4c3=O)CC2)cc1 8589484 SPBYILZWIJCEEA-UHFFFAOYSA-N 446.554 2.086 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CC(=O)N(C2CCCCC2)C1 8816418 KIVSNSPWVBYELV-VQIMIIECSA-N 449.573 2.264 0 40 IEAB Cc1coc2cc3oc(=O)c(CCC(=O)NCC(=O)N4CCC[C@H]4C(=O)O)c(C)c3cc12 8876227 MPCGIHQPUQIUSK-KRWDZBQOSA-N 440.452 2.280 0 40 IEAB biogenic COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4cccc(C)n4)n3N)[nH]n2)cc1 9448384 HIYDGWOBRSQIFE-UHFFFAOYSA-N 436.501 2.492 0 40 IEAB CC(=O)Nc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 9519407 QNRFFROLIVTZEZ-UHFFFAOYSA-N 448.479 2.280 0 40 IEAB CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2O1 9595422 TXMJBKNUNRBJLV-UHFFFAOYSA-N 444.553 2.453 0 40 IEAB Cn1cnc2c1c(=O)n(CCCSc1nnc(NCc3ccccc3)s1)c(=O)n2C 9605898 HLTTWCTVUJDGIT-UHFFFAOYSA-N 443.558 2.080 0 40 IEAB Cc1ccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1 9849309 ITPJYEIBMMMQKS-UHFFFAOYSA-N 447.474 2.386 0 40 IEAB O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OC(c1ccccc1)c1ccccc1 10039666 KRUNUFNINKGWNU-UHFFFAOYSA-N 438.505 2.414 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)cc1 10337631 KNFCZIXAXCMPGY-UHFFFAOYSA-N 436.555 2.438 0 40 IEAB CCCc1cc(C(=O)OC)c(NC(=O)C[C@@H]2SC(N3CCOCC3)=NC2=O)s1 12408828 VKKFIOQQOVNUQT-ZDUSSCGKSA-N 425.532 2.146 0 40 IEAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(S(=O)(=O)NC2CC2)c1 13260040 SIUAVWVMEMLRPW-IBGZPJMESA-N 427.482 2.034 0 40 IEAB CC(=O)Nc1ccc(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 14251488 IQQVBLGCZNZIIZ-HNNXBMFYSA-N 433.505 2.362 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 15345417 ZENMTSJPZOKMEI-UHFFFAOYSA-N 431.558 2.098 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@@]23C(=O)Nc2ccc(F)cc23)cc1 15973226 CBPOOYULSIEABU-JLVUSKIZSA-N 441.459 2.147 0 40 IEAB NC(=O)c1ccc(-c2nccnc2[C@H]2CN(C(=O)COc3ccccc3F)CCO2)cc1 19693397 VEMLNKZAIBZSJS-LJQANCHMSA-N 436.443 2.361 0 40 IEAB CNC(=O)c1cnc([C@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(C)cc3)C2)nc1C 19763711 TXPNSQBGORYUNW-KRWDZBQOSA-N 444.557 2.023 0 40 IEAB COc1ccc(OC)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)c1 21636546 FKIBXWDNVIBLPD-AWEZNQCLSA-N 428.441 2.247 0 40 IEAB NC(=O)[C@H]1CN(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)c2ccccc2O1 23990034 DGKWLVHUKHVYRA-XMMPIXPASA-N 444.535 2.237 0 40 IEAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H](CN1CCOCC1)c1ccccc1 24881239 CENZEHSCMKUUNK-JOCHJYFZSA-N 443.569 2.239 0 40 IEAB Cc1nc(SCCC(=O)NC2CCCCC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 32870891 AQIFVHAUWBBRIJ-UHFFFAOYSA-N 433.578 2.386 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(N(C)C)CCCC3)CC2)cc1 32921873 NYNIQJZDJSGVEA-UHFFFAOYSA-N 435.590 2.281 0 40 IEAB CC(C)(C)OC(=O)NC1CCN(c2ncc(S(=O)(=O)c3ccccc3)c(N)n2)CC1 33301801 FKDRPOWHBQADHO-UHFFFAOYSA-N 433.534 2.385 0 40 IEAB COc1ccccc1/C=C1/SC(=O)N(CC(=O)N[C@@H](CO)Cc2ccccc2)C1=O 33539531 FFBHFLJEPULARZ-MIQLPHMESA-N 426.494 2.451 0 40 IEAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)N[C@@H]1CCc2ccccc21 57520398 PTKZRZUBPOPDBW-QGZVFWFLSA-N 434.525 2.450 0 40 IEAB C[C@H](CCN1CCN(c2ccccc2)CC1)NC(=O)Cn1cc(Br)ccc1=O 58052946 QYANGHDVJTZBTI-QGZVFWFLSA-N 447.377 2.328 0 40 IEAB CCN(CC)CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 60269887 GJMIPKFNZFOUJL-UHFFFAOYSA-N 446.573 2.076 0 40 IEAB C[C@]12CC[C@H](C[C@@H]1C(=O)NCCCN1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 72339038 QRNRQACHRGPSAP-WRGFRKCQSA-N 427.545 2.170 0 40 IEAB O=C(c1c[nH]c(=O)n(Cc2ccccc2Cl)c1=O)N1CCN(c2ccc(F)cc2)CC1 77099313 WGODDBDEAFWVQG-UHFFFAOYSA-N 442.878 2.340 0 40 IEAB Cc1nc([C@H](NS(=O)(=O)CCNC(=O)OCc2ccccc2)c2ccccc2)n[nH]1 89497077 QSXSQZVRUSDYOM-GOSISDBHSA-N 429.502 2.048 0 40 IEAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 95385659 IFUJJQGQANTTID-AZUAARDMSA-N 427.570 2.485 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCSc1ccc(Br)cc1 102398183 LYBZSCDXXWSGET-MWDDYTRKSA-N 435.343 2.465 0 40 IEAB COc1ccc(OC)c(N([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)c1 220209934 DLULABCWSLJCNC-KRWDZBQOSA-N 447.557 2.207 0 40 IEAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C 224114319 MKGIBNCNYUYJGG-QGZVFWFLSA-N 448.541 2.424 0 40 IEAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2ccco2)c1 239578952 DCDREKPFAJTTHM-LJQANCHMSA-N 437.495 2.351 0 40 IEAB CN(C)C(=O)[C@]1(c2ccccn2)CCCN(C(=O)C(C)(C)NC(=O)c2cccc(F)c2)C1 257340581 ZGTTYFMCEGQFDL-XMMPIXPASA-N 440.519 2.378 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408554476 SERJGTVTQJQZGH-LLVKDONJSA-N 426.878 2.441 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 408623639 PEZCUDDSXBNAFI-HNNXBMFYSA-N 437.949 2.364 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1 408652697 GVXYTPDXETXDCC-AWEZNQCLSA-N 445.859 2.024 0 40 IEAB COc1ccc(Cn2nc3n(c(=O)c2=O)CCC32CCN(C(=O)c3ccccc3)CC2)cc1 585106511 FSFWYHJYPHFZCT-UHFFFAOYSA-N 446.507 2.040 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3C=C[C@H]2C3)c(S(=O)(=O)N[C@@H]2C[C@H]3C=C[C@H]2C3)c1 606422314 JZOFASPYPMMTJA-XREYTECCSA-N 434.583 2.481 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ncccn3)CC2)c1 3603575 PFVMHXHOAKESIO-UHFFFAOYSA-N 437.953 2.123 0 40 IEAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9125418 FDEOPPVXJIEKIL-MRXNPFEDSA-N 431.901 2.270 0 40 IEAB Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 9187148 INRSOSBKVCNFDT-AWEZNQCLSA-N 430.482 2.141 0 40 IEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCCCCN1C(=O)c3ccccc3C1=O)C2=O 9442876 HAZQMALDPONVBS-CMJOXMDJSA-N 441.484 2.107 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCc2ccccc2)cc1 9744637 ISAIGCLCMPMSQG-FQEVSTJZSA-N 443.569 2.361 0 40 IEAB COc1cc(C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc(OC)c1OC 9806916 BGLSJUJVBFQLSO-AWEZNQCLSA-N 440.543 2.357 0 40 IEAB COc1ccc(S(=O)(=O)CC(=O)N2CCCC[C@H]2c2cc3nc(C)cc(O)n3n2)cc1 12161221 DMSNCAXLRLROJE-SFHVURJKSA-N 444.513 2.279 0 40 IEAB CN(C)S(=O)(=O)N1CCN(c2ncc(-c3cccs3)c(-c3nccs3)n2)CC1 12325671 HZXCUERIKUPVNX-UHFFFAOYSA-N 436.588 2.257 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnnn1-c1ccc(C)cc1)n2CC 12519923 NVHQDKNHOOJPDC-UHFFFAOYSA-N 440.533 2.283 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 12755189 HGZHGZYVVPYTLT-UHFFFAOYSA-N 431.514 2.254 0 40 IEAB C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 12906495 PYQXRGMFXOKAAC-ZIAGYGMSSA-N 441.571 2.243 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2CN2CCCCC2)c1=O 13114470 NUGJASADUMAQMJ-UHFFFAOYSA-N 434.540 2.485 0 40 IEAB CC(C)OC(=O)c1cc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 13136334 GZECYWSMZIKHJK-OWSLCNJRSA-N 431.441 2.410 0 40 IEAB Cc1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1S(=O)(=O)NCCc1cccs1 13724514 LJBDQBKMUPBDEB-UHFFFAOYSA-N 442.584 2.280 0 40 IEAB COc1cccc(CNC(=O)c2cc3c(nc2N)CCN(C(=O)CCn2ccnc2C)C3)c1 19701031 WEPYSDVWBOPQLL-UHFFFAOYSA-N 448.527 2.082 0 40 IEAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(OC)cc3OC)n2N)cc1 21576085 QCNIRKSQIRQMTB-UHFFFAOYSA-N 443.529 2.136 0 40 IEAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 22224538 NRPCHDXLXKPJJU-OAQYLSRUSA-N 430.411 2.072 0 40 IEAB COc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1S(=O)(=O)NC1CC1 22682748 QEAKKMRFSAIJJS-SFHVURJKSA-N 435.521 2.308 0 40 IEAB CCc1ccccc1NC(=O)CN1CCN(CN2C(=O)NC3(CCCCCC3)C2=O)CC1 22786311 GMVDLPYFQBSREQ-UHFFFAOYSA-N 441.576 2.407 0 40 IEAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1CCN(CC(=O)NC2CC2)CC1 22847272 UEXWPSSZMILCNZ-UHFFFAOYSA-N 444.963 2.455 0 40 IEAB O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)Nc2ncccc2O)cc1 23078822 LASHELATHBELHB-INIZCTEOSA-N 439.497 2.462 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)COc4ccccc4)CC3)cccc2c1 32042889 GSXMWDFGTZSIHU-UHFFFAOYSA-N 425.510 2.455 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2cc(-c3ccco3)on2)cc1 32747251 OVSGCWZIXOYEED-GFCCVEGCSA-N 433.442 2.303 0 40 IEAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCN3CCCc4ccccc43)cc(C(C)C)nc21 40135057 PMGPXCQICOOZOM-UHFFFAOYSA-N 435.528 2.411 0 40 IEAB Cn1c(C(F)(F)F)nnc1S(=O)(=O)CC(=O)Nc1ccc(Br)cc1 40152200 ZIGDAIIKZRQBIC-UHFFFAOYSA-N 427.202 2.009 0 40 IEAB O=c1n(Cc2cccc(C(F)(F)F)c2)nc2c(S(=O)(=O)N3CCCC3)cccn12 49006272 UKUOGZYHFBRSPL-UHFFFAOYSA-N 426.420 2.348 0 40 IEAB CC[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1nc(-c2ccccc2)c[nH]1 58246762 SREUUHVVYVIQGP-CQSZACIVSA-N 425.470 2.036 0 40 IEAB C[C@@H](C(=O)N1CCc2ccccc2C1)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326645 SBXWPHANMDOXBL-GKVSMKOHSA-N 433.508 2.491 0 40 IEAB Cc1c(CN2CCC(c3nc(-c4ccccn4)ncc3S(C)(=O)=O)CC2)cnn1C 72335867 CVRGYMALDGNDRU-UHFFFAOYSA-N 426.546 2.364 0 40 IEAB CO[C@@H](C)c1nc(CN2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cs1 78990825 FQHSCSOYQADUIP-ZDUSSCGKSA-N 438.575 2.349 0 40 IEAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2ccc(F)cc2)CC3)C1=O 96144447 HKIIWBGUBOFVNU-DEOSSOPVSA-N 444.551 2.213 0 40 IEAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCCN1C(=O)S/C(=C/c3ccccc3F)C1=O)CS2 108807785 KOXDZILEZLCMJS-UCLCMDLTSA-N 449.529 2.432 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1cccc(C)c1C)c1ccc2c(c1)OCO2 223932667 IUSMNIYAFWJVLJ-UHFFFAOYSA-N 434.514 2.383 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 226002029 XALNWGOOQKVXCJ-UHFFFAOYSA-N 429.542 2.419 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@H](C)O)N[C@@]23C(=O)Nc2c(C)cccc23)c1 248335817 NRVIXZWDGPUGHO-QTBBKJFQSA-N 425.485 2.157 0 40 IEAB COc1cc(-c2nc3sc(=Cc4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc(OC)c1OC 254734557 HUPNLUHOBRXRBK-UHFFFAOYSA-N 440.437 2.300 0 40 IEAB NC(=O)C[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CC[C@@H]1Oc1ccc(F)cc1 257222294 DSSKWSRVOIXQQO-SGTLLEGYSA-N 428.432 2.438 0 40 IEAB Cc1ccc2nc(C(=O)N3CCN(C)[C@@H](C(=O)NCc4ccc5c(c4)CCCO5)C3)cn2c1 257234056 GRXFJTWZXFVBBW-OAQYLSRUSA-N 447.539 2.040 0 40 IEAB CCCOC(=O)CNC1([C@H](CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)COC1 306145767 POBPMSMNCFCEEI-HNNXBMFYSA-N 430.542 2.313 0 40 IEAB C[C@]1(C[C@@H]2CCCN2C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)NC(=O)NC1=O 557609467 WJBNVMUNXOHDQF-KPZWWZAWSA-N 437.378 2.348 0 40 IEAB Cc1noc(C)c1C(=O)N1CC[C@]2(C1)c1cccn1-c1ncccc1N2CC(=O)N(C)C 585107564 ZYQXINNHEHOJCI-QHCPKHFHSA-N 434.500 2.127 0 40 IEAB CC1(C)Cc2c(sc3c2-c2ncnn2-c2nnc(SCC(=O)N4CCCC4)n2-3)CO1 2453946 PMEWOCRGQADRTJ-UHFFFAOYSA-N 443.558 2.456 0 40 IEAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc12 3280120 LNKQTXVDMTTXBM-UHFFFAOYSA-N 429.889 2.259 0 40 IEAB Cc1cccc(-n2c(S[C@H](C)C(N)=O)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 3426154 LLMZJFAVXNCYMB-CQSZACIVSA-N 445.570 2.459 0 40 IEAB O=C(NCCCn1cnc2ccccc21)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9367735 UHSBFAACNLQYRR-IBGZPJMESA-N 437.525 2.156 0 40 IEAB O=C1N[C@@H]2[C@H](CCCCC(=O)OCc3ccc(Cl)cc3Cl)S(=O)(=O)C[C@@H]2N1 9460224 MQTNCVITHMOFOI-DZKIICNBSA-N 435.329 2.444 0 40 IEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cnc2ccc(Br)cc2c1=O 9512881 KEVDAYQSJYQLNH-CQSZACIVSA-N 444.285 2.457 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCN1C(=O)c1cccs1 9869526 DHFJZSVNBRRBAY-KRWDZBQOSA-N 449.554 2.012 0 40 IEAB CCCCN1CCN(C(=O)c2cn(CCOC)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 11666235 OQVXLENMNMMNEJ-UHFFFAOYSA-N 437.544 2.343 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 13049052 VPXAKBQEPCZFTK-HXUWFJFHSA-N 446.573 2.083 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(F)cc1F 13119422 ZRWTUTHALOBLTN-UHFFFAOYSA-N 426.441 2.312 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 14232603 GTALBBUOSBSENZ-RYUDHWBXSA-N 425.457 2.467 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccccc1 16682426 HQWSFANIJGJSAI-ITICKHJUSA-N 448.500 2.497 0 40 IEAB C[C@H](NC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2)c1cccs1 19459679 SMIXIHUYAWAHCU-NYHFZMIOSA-N 427.526 2.499 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)N3CCCC(C)(C)C3)CC1)O2 19461199 FZPCROAFFOZLNC-DEOSSOPVSA-N 443.544 2.217 0 40 IEAB CC(C)n1c(=O)n(CC(=O)N2CCC[C@H](C)C2)c2c(C(N)=O)nc(-c3cccs3)nc21 19496469 HNRUUOXECZVXNK-ZDUSSCGKSA-N 442.545 2.260 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C)n1 19760851 ASPQTIQYOPJOBC-GOSISDBHSA-N 449.552 2.494 0 40 IEAB Cn1c(=O)c2nc(Br)n(Cc3ccc(Br)cc3)c2n(C)c1=O 21996130 GTKBMPBYWWNMJR-UHFFFAOYSA-N 428.084 2.007 0 40 IEAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cccs2)CC1 23038050 QZFMIMOHMBDGPM-INIZCTEOSA-N 436.555 2.453 0 40 IEAB COc1ccc(C)cc1CN1CCN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)CC1 23654192 LMNVJKPSWBRZPK-UHFFFAOYSA-N 442.560 2.293 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O 39583767 REAYWTQXKGYTTR-UHFFFAOYSA-N 449.507 2.343 0 40 IEAB COc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4cccc(OC)c4)c(=O)n3c2)cc1 44169886 UHFRTAMPEKOYMP-UHFFFAOYSA-N 447.451 2.404 0 40 IEAB CCSc1nnc(NC(=O)[C@H]2CCCN(Cc3nc(-c4ncccn4)no3)C2)s1 62022917 GAMDJYPPISBVAB-NSHDSACASA-N 432.535 2.341 0 40 IEAB C[C@@H](C(=O)N1CCc2ccccc2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 72326647 SBXWPHANMDOXBL-SSOJOUAXSA-N 433.508 2.491 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1CCC[C@H](c2[nH]ncc2-c2ccncc2)C1 72334784 YSFFHCWQIMRZLS-FIZLFTKOSA-N 433.512 2.209 0 40 IEAB O=C(Nc1nc2c(s1)CN(S(=O)(=O)c1cc(F)ccc1F)CC2)c1cnccn1 77196324 CZLYFMILRBHGBN-UHFFFAOYSA-N 437.453 2.211 0 40 IEAB Cc1[nH]cnc1CNC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 78976452 WDGLYIJKRZNRQZ-KRWDZBQOSA-N 440.529 2.071 0 40 IEAB COC(=O)c1c(NC(=O)[C@@]23C[C@@H]4C[C@@H](C[C@@](n5cncn5)(C4)C2)C3)sc(C(N)=O)c1C 104132373 XRUSCFSMXREZDK-NOKWSWOQSA-N 443.529 2.468 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223031263 XBBJTUFCXJBJIC-FQEVSTJZSA-N 449.548 2.454 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c(OC)c1 223655606 CVFXKWBGODXWMK-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cc[nH]n3)CC[C@@H]2Oc2ccc(Cl)cc2)CC1 257287696 PRCYSFVXWJTRKI-JXFKEZNVSA-N 445.951 2.137 0 40 IEAB Cn1c(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)cc(=O)n(C)c1=O 257308020 TVCNWFGOIQKNGJ-HNNXBMFYSA-N 442.903 2.336 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 260838569 SVHFTGFJAYCGAX-HTAPYJJXSA-N 444.509 2.171 0 40 IEAB CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O 409266742 RBYCEBNHWCRIOK-UHFFFAOYSA-N 445.541 2.126 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1=O 643555802 CDBMFJWVKIUHGC-XMMPIXPASA-N 438.528 2.342 0 40 IEAB O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)NC(c1ccccc1)c1ccccc1 2617145 LUAUEZGGMBORJY-UHFFFAOYSA-N 443.459 2.139 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)CC1 3346017 QAMWTJPYQCLXMF-JOCHJYFZSA-N 441.553 2.347 0 40 IEAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O 4574628 QEZBEOOFSRNPCR-IEZWGBDMSA-N 449.548 2.420 0 40 IEAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2c1c(=O)n(C)c(=O)n2C 6198417 MFCKLPAMTCCKKC-UHFFFAOYSA-N 442.328 2.491 0 40 IEAB Cc1ccc(NC(=O)CN2CCc3ccccc3C2)cc1S(=O)(=O)N1CCOCC1 8692906 LUWBPWQLYNYAMT-UHFFFAOYSA-N 429.542 2.013 0 40 IEAB Cn1c(-n2ncc(N3CCN(C[C@@H]4CCCO4)CC3)c(Cl)c2=O)nc2ccccc21 8973190 YFBXUUIQZILRMH-HNNXBMFYSA-N 428.924 2.074 0 40 IEAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1c(F)cccc1F 9322865 WDIOVZKIIWJQML-UHFFFAOYSA-N 425.457 2.061 0 40 IEAB CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCC1 9487579 AOHJEHRFHOCTMK-BTYIYWSLSA-N 429.517 2.010 0 40 IEAB CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@H]32)cc1 9675261 CMKAPXBCMPNDGP-MSOLQXFVSA-N 429.383 2.295 0 40 IEAB COc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1C(=O)N1CCOCC1 10110788 WXWAGBRBLNSDSK-UHFFFAOYSA-N 432.542 2.387 0 40 IEAB CCOc1ccc(-c2nnc3n(Cc4ccc(F)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10970086 YRPRSHSKMVVTNV-UHFFFAOYSA-N 448.458 2.335 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC1)CNC2=O 12086678 FRVLBLRDILQVOX-SRGWNRLKSA-N 443.544 2.073 0 40 IEAB CN1CC[C@]2(CCC1=O)CN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccccc1O2 12086702 ZHUHRKGYZLCJCQ-XMMPIXPASA-N 439.487 2.358 0 40 IEAB CCN(Cc1ccc(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)o1)S(C)(=O)=O 12185858 CETPNOUMRIVWTR-UHFFFAOYSA-N 443.529 2.177 0 40 IEAB CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1 13002193 CJMIQWIKWFHRRU-UHFFFAOYSA-N 445.788 2.195 0 40 IEAB C[C@H](Sc1nc2cc(C(=O)O)ccc2c(=O)n1C)C(=O)NC(=O)NCc1ccccc1 13019231 RDLNQIVOAWYRBQ-LBPRGKRZSA-N 440.481 2.138 0 40 IEAB COc1ccc(NC(=O)[C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 13629487 PEMPUSWKLVYUEH-IRXDYDNUSA-N 445.541 2.239 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1 14242921 MJUFNTWJSNZMJR-BFYDXBDKSA-N 438.546 2.279 0 40 IEAB COc1ccccc1NC(=O)CSc1nc(C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 15280815 BOOUHVUYGKZQKY-UHFFFAOYSA-N 443.529 2.064 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)nc(Cl)c1 15537346 JQYKPQUQBUTOHM-UHFFFAOYSA-N 430.313 2.339 0 40 IEAB c1cncc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(c3ncnc4[nH]cnc34)C2)c1 19340798 LHPZLTLAVBFSDY-KRWDZBQOSA-N 443.515 2.426 0 40 IEAB NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)COc2ccccc2)CCO1 19373477 KYWFZIQKJQPRIM-VWLOTQADSA-N 431.492 2.453 0 40 IEAB COc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c2cc1OC 19550913 SCMAAIPDBQOVTE-FQEVSTJZSA-N 440.504 2.069 0 40 IEAB Cc1c(CN2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)oc2ccccc12 19566378 SANKSHXRHWBJNL-SFHVURJKSA-N 442.541 2.479 0 40 IEAB NC(=O)c1ccc(-c2nccnc2[C@@H]2CN(CC(=O)Nc3ccc(F)cc3)CCO2)cc1 19693240 IYNMIFCTQQGBAV-IBGZPJMESA-N 435.459 2.394 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3ccccc3F)CC1)C2=O 19700723 NWPHTFMWNASDIO-UHFFFAOYSA-N 444.551 2.403 0 40 IEAB Cc1c(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 20237299 WRZUIIFPQQFBHS-UHFFFAOYSA-N 432.477 2.028 0 40 IEAB CCOc1cc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)ccc1OC 22082252 JWSJBDHGBSKIQE-UHFFFAOYSA-N 432.498 2.297 0 40 IEAB CCOc1cc(CNCCCSc2nnnn2C)ccc1OCC(=O)NC(C)(C)C 22109361 MYDLNAJVZQSLGW-UHFFFAOYSA-N 436.582 2.174 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)c(C)c1 22246507 HUFMFCYQIQTZEZ-OAQYLSRUSA-N 429.586 2.275 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)cc1OC 22767105 CZHJUXGZKYJSHB-KRWDZBQOSA-N 425.576 2.032 0 40 IEAB COCCNC(=O)CN1CCN([C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1 22789431 WSDATVRWGRBMGM-XMMPIXPASA-N 434.540 2.472 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(CCOc2ccccc2)CC1 23817670 KRAJHDLFISMLBI-UHFFFAOYSA-N 443.569 2.308 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(OC)nn3)c2C(F)(F)F)C1 29570283 HEDXJBMCJZPQHJ-LLVKDONJSA-N 427.383 2.105 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)cc1 32970549 RKWDARYGIRKEFA-FUHWJXTLSA-N 431.562 2.343 0 40 IEAB CCCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 35374996 BXVDQRDBKKLZOL-ZKNHNOBHSA-N 432.318 2.476 0 40 IEAB CCc1nc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)sc1C 36391332 INGCRWJLORATKS-UHFFFAOYSA-N 436.559 2.119 0 40 IEAB Cc1cc(=O)c(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)nn1-c1ccc(Cl)cc1 40122702 OLUNQEILGFHHEV-UHFFFAOYSA-N 430.814 2.287 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CC)n1 40283863 IDNPKGLRRAUUEQ-OAQYLSRUSA-N 442.497 2.186 0 40 IEAB Cc1cccc(N2CCN(C(=O)c3snc4c(=O)n(C(C)C)c(=O)[nH]c34)CC2)c1C 49409817 NLMJQGYQUXWTRK-UHFFFAOYSA-N 427.530 2.306 0 40 IEAB CN(CCN1CCOCC1)C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 58391648 HMTDVOQUZLPTPO-JOCHJYFZSA-N 425.529 2.315 0 40 IEAB COc1cccc(N2CCN(C[C@@H](CC(=O)Nc3ccc4c(c3)OCO4)C(=O)O)CC2)c1 71279952 HNSDRAWDWWXASA-MRXNPFEDSA-N 441.484 2.276 0 40 IEAB O=S(=O)(O)N1c2ccccc2N=c2cc3c(cc21)=Nc1ccccc1N3S(=O)(=O)O 71789567 LXGFFHHALGBWCD-UHFFFAOYSA-N 444.450 2.098 0 40 IEAB Cc1ccccc1SCC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 79016077 FZQJGOVWPALIRH-UHFFFAOYSA-N 426.498 2.219 0 40 IEAB Cc1cnc2c(c1)NC(=O)CN2C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 95988938 NPCFVJTTYFIBTO-UHFFFAOYSA-N 428.514 2.092 0 40 IEAB COCCN1Cc2c(C(=O)Nc3cccc(OC)c3)ncn2-c2ccccc2S1(=O)=O 96266171 JTNRMXDVBIBRJQ-UHFFFAOYSA-N 442.497 2.284 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1C 102398964 HOQKEFMTUNRLQE-HDICACEKSA-N 447.557 2.305 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCOC2CCCCC2)cc1OC 224851977 KUOZLHCDNZAQCI-UHFFFAOYSA-N 428.551 2.180 0 40 IEAB C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 248239596 GKDVANQPFQFGLX-KMAVMUOFSA-N 425.529 2.459 0 40 IEAB CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 257204834 AWMAQJRNHGGCSU-UHFFFAOYSA-N 445.902 2.024 0 40 IEAB CO[C@@H]1CCC[C@@H](N(C)Cc2cc(OCc3ccccc3)ccc2OCC(N)=O)[C@H]1O 257213567 CIDHSWZRMJHTDG-KIFXHHALSA-N 428.529 2.490 0 40 IEAB CN([C@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)c1ccccc1)S(C)(=O)=O 260746512 YHHXNIYBYMMGDG-NRFANRHFSA-N 429.542 2.058 0 40 IEAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@H]2CCCO2)N1CCN1CCOCC1 260924283 TXGIRZJFADEZMU-STZQEDGTSA-N 441.601 2.367 0 40 IEAB COc1ccc(C)c2c1N(CC(=O)N1c3ccc(S(N)(=O)=O)cc3C[C@@H]1C)CCC2 532692439 RFJFRNWRADOAMY-HNNXBMFYSA-N 429.542 2.381 0 40 IEAB C[C@@]1(C[C@H]2CCCN2C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)NC(=O)NC1=O 557609470 WJBNVMUNXOHDQF-XIKOKIGWSA-N 437.378 2.348 0 40 IEAB CC(=O)N1Cc2ccccc2C[C@@H]1c1nc(-c2cccc([C@@]3(C)NC(=O)NC3=O)c2)no1 685286432 GOKVPPYCPRMMLI-WZONZLPQSA-N 431.452 2.437 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)O)n2[C@@H](C)COC)c1 2645149 HQRITDPLUROQQL-ZDUSSCGKSA-N 442.563 2.360 0 40 IEAB CC(C)[C@@H](C(=O)OCc1cccc(S(=O)(=O)N(C)C)c1)N1C(=O)c2ccccc2C1=O 3392599 LUQIAYHJKUCZHK-IBGZPJMESA-N 444.509 2.301 0 40 IEAB CCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)OCc1ccccc1 6545795 XQSXMOKGMWTCQN-XMMPIXPASA-N 434.448 2.197 0 40 IEAB Cc1ccc(N2C[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1 8601592 IMWDPGDJZYWTIQ-GOSISDBHSA-N 427.526 2.315 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1ccc2ccccc2n1 8755844 KKJAQJJXCFXIEA-UHFFFAOYSA-N 443.481 2.289 0 40 IEAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 9425355 PHZWFULIILAWPF-CYBMUJFWSA-N 440.905 2.473 0 40 IEAB CCCCN(C(=O)CN1CCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9589452 JHGVYVHHEZQGHC-UHFFFAOYSA-N 447.539 2.363 0 40 IEAB CCc1nc2ccccc2n1CC(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 9714911 WDQJJUSNUYMMKV-NRFANRHFSA-N 434.496 2.252 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(O)c(OC)c2)n2nnnc2N1 10231959 DTBLUFZKEFXSLD-QGZVFWFLSA-N 441.831 2.366 0 40 IEAB CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 11867577 XWTBWTYTBHPUJU-WIUDPPPLSA-N 442.468 2.430 0 40 IEAB biogenic COc1ccc(-c2cc(C(=O)NCc3ccccn3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11906923 BFQQXWNZSLBYHF-KRWDZBQOSA-N 426.498 2.243 0 40 IEAB COc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCOCC3)CC2=O)c1 12062098 FTWHHDPVRGZJDC-QGZVFWFLSA-N 434.496 2.424 0 40 IEAB COc1ccc2c(c1)C(=O)N(CC(=O)NC1CCCCC1)C[C@@]1(CCC(=O)N(C)CC1)O2 12087116 GYKMSBVWNYKBGV-DEOSSOPVSA-N 443.544 2.360 0 40 IEAB COc1ccc(CC(=O)Nc2ccc3oc(C)nc3c2)cc1S(=O)(=O)N1CCOCC1 12567648 YSFWMTJLOCRERA-UHFFFAOYSA-N 445.497 2.347 0 40 IEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)C1 12601527 URJIVZLUCXPNHX-ROUUACIJSA-N 443.573 2.106 0 40 IEAB Nc1nc(COC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)nc2ccccc12 12641511 BFQFZBIIZYYUIV-HNNXBMFYSA-N 442.497 2.026 0 40 IEAB CCCN(C(=O)c1ccc(OC)c(OC)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12752966 LPOKGMHJBPHFDA-UHFFFAOYSA-N 438.484 2.241 0 40 IEAB CCCn1c(=O)n(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc21 12869454 LEXCHXIENFNDTF-UHFFFAOYSA-N 445.541 2.313 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)[C@H]1CC(=O)N(c3ccc4c(c3)OCCO4)C1)CC2 13101971 GCHQSHNIWGNSOY-KRWDZBQOSA-N 438.480 2.413 0 40 IEAB Cc1ccc(SCCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 13109436 BVUDTHNOKHMKSJ-UHFFFAOYSA-N 436.555 2.027 0 40 IEAB O=S(=O)(c1ccn(S(=O)(=O)c2ccccc2)c1)N1CCN(c2ccccc2F)CC1 13585794 UKYVZWPKZUUZTC-UHFFFAOYSA-N 449.529 2.375 0 40 IEAB CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1N1CCCCC1 15103748 JQXCSERQQZIWQQ-UHFFFAOYSA-N 444.601 2.115 0 40 IEAB C[C@H]1CN(C(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[nH]2)C[C@@H](C)O1 17859787 YQJLZKZZOXYWMM-TXEJJXNPSA-N 433.921 2.490 0 40 IEAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@@H]3CCS(=O)(=O)C3)cc2n1 19522256 IYQPHWNWGNRNGZ-BXUZGUMPSA-N 430.452 2.409 0 40 IEAB COc1ccc(C2=C(c3ccccc3)C(N3CCS(=O)(=O)CC3)=NS2(=O)=O)cc1 19553864 SUOLKBNBSVOXCX-UHFFFAOYSA-N 432.523 2.036 0 40 IEAB Cc1nnsc1C(=O)N1CCC(O)(Cn2ncc3ccc(NC(=O)C(C)C)cc32)CC1 19563393 DQKPFKISGGSHSN-UHFFFAOYSA-N 442.545 2.458 0 40 IEAB CNc1cc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc(CN(C)C(C)=O)n1 19710089 SIASWZUKZCKHKL-UHFFFAOYSA-N 435.525 2.204 0 40 IEAB CCN([C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1)S(=O)(=O)c1cnn(C)c1 19712640 CIYHRPKVLUPFGH-QUCCMNQESA-N 434.562 2.489 0 40 IEAB COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)cc1OC 20724341 PXGONVMCOBNLPY-GOSISDBHSA-N 437.496 2.041 0 40 IEAB O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22664599 DNSIHMRXGVLGJV-SFHVURJKSA-N 440.475 2.187 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)NCCc2ccc(Br)s2)cc1 22882409 FEACEEJTIFXHSA-UHFFFAOYSA-N 432.365 2.242 0 40 IEAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCCCN1CCc2ccccc21 29522492 FJEDJSPAIGGIRG-UHFFFAOYSA-N 426.542 2.150 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cccc(OC)c43)CC2)cc1 32093789 HKSPYBJEHIALBB-UHFFFAOYSA-N 443.525 2.192 0 40 IEAB O=C1C(=O)N(CN2CCN(C(=O)Cc3ccccc3)CC2)c2cccc(Br)c21 32932599 UVMWNMMZSKSDDH-UHFFFAOYSA-N 442.313 2.323 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1ccnn1C1CCCC1 36385533 FRZYFIRCVDYDAR-UHFFFAOYSA-N 435.525 2.082 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCc4ccccc4C3)nc2)o1 40145607 WBZFUUOSPLJEDZ-UHFFFAOYSA-N 440.525 2.418 0 40 IEAB COc1ccc(N2Cc3nc(=O)n(CC(=O)NCc4cccc(Cl)c4)n3C2=O)cc1 49549648 VPJQRCGARNOSCB-UHFFFAOYSA-N 427.848 2.012 0 40 IEAB CCOC(=O)c1sc2nc(CN(C)Cc3nc4ccccc4c(=O)[nH]3)[nH]c(=O)c2c1C 58133048 STHMZKMSUKOILY-UHFFFAOYSA-N 439.497 2.338 0 40 IEAB CCc1ccc(-n2c(O)nc3nc(N4CCN(c5ccccn5)CC4)ncc3c2=O)cc1 67264255 KZKREQDNDHSAIW-UHFFFAOYSA-N 429.484 2.165 0 40 IEAB Cc1nc2c(c(NC[C@H]3CCCO3)n1)[C@H]1CC[C@@H](C2)N1S(=O)(=O)CCc1ccncc1 72373158 MKONIVONBFOVSY-NLWGTHIKSA-N 443.573 2.405 0 40 IEAB CSc1nnnn1-c1cccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 83995679 YLPFITQPEQQPJA-DZKIICNBSA-N 433.563 2.049 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1NC(=O)N(CCc3ccccc3)C1=O)CC2 96113872 AQDYSCSJQNXSOU-IBGZPJMESA-N 437.496 2.142 0 40 IEAB biogenic COc1ccc(C(=O)N2CCC3(CC2)O[C@H](C(=O)N2CCCCC2)Cn2ccnc23)cc1 96263101 BUQDKXHNQCXSQB-FQEVSTJZSA-N 438.528 2.435 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102869775 MHILWUFOOLFWPA-GJZGRUSLSA-N 448.317 2.154 0 40 IEAB COc1cccc(-c2noc(CNC(=O)c3cccc(N(C)S(C)(=O)=O)c3C)n2)c1 222444295 WQFNLZPXIPSIFL-UHFFFAOYSA-N 430.486 2.379 0 40 IEAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3cccc(OCCCN)c3)C2)c2cnccc2n1 257310543 UFMWWZFJCCHKII-VWLOTQADSA-N 449.555 2.427 0 40 IEAB Cc1cccc(CN2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@H]3C2)n1 306136378 PSADTBGMCQALML-PMACEKPBSA-N 437.525 2.016 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(=O)Cc4ccccc4)C[C@H]2C3)cc1 306136712 QAVYPSCHXQVUTH-QZTJIDSGSA-N 431.496 2.412 0 40 IEAB CS(=O)(=O)Nc1cccc(CC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 500546260 BAVKTSQRLKHSMV-CQSZACIVSA-N 439.896 2.315 0 40 IEAB CN(C)CCOc1cccc(CN2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)c1 643586834 FFCKUUAXJBFZTQ-RBBKRZOGSA-N 425.529 2.160 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C2CN(c3ccc4nnc(C5CCC5)n4n3)C2)cc1F 1565523430 ODJJZNDIVDFELX-UHFFFAOYSA-N 446.508 2.049 0 40 IEAB CCCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2c1c(=O)n(C)c(=O)n2C 6162140 JSOZOJCSZXKCFP-UHFFFAOYSA-N 445.545 2.363 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1Cl 6601815 HGSNCHQCNKQVLU-HNNXBMFYSA-N 430.954 2.435 0 40 IEAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 8299833 ZSTBMXUYQXDYKA-RLLQIKCJSA-N 427.524 2.206 0 40 IEAB biogenic,in-vitro C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 8894229 ISLNZHHLZAXLTK-HSZRJFAPSA-N 441.459 2.113 0 40 IEAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccccc1F 9183916 HIHSCVOXXFTKQA-UHFFFAOYSA-N 433.505 2.371 0 40 IEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc3c(c1)CCCN3S(C)(=O)=O)C2=O 9218590 JKDPGWRGRCUQDS-SZNDQCEHSA-N 433.530 2.082 0 40 IEAB CCOC(=O)N1CCN(C(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2C(C)C)CC1 9410519 DHDBZQDPVPBPBF-KRWDZBQOSA-N 432.546 2.088 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2ccc(OCC(N)=O)c(OC)c2)cc1 9446119 LNAMKBNVMOFGCQ-MRXNPFEDSA-N 449.573 2.441 0 40 IEAB Cc1ccc(NC(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)cc1S(=O)(=O)N(C)C 9455113 SXVBSFHIBCJZAI-NRFANRHFSA-N 447.557 2.404 0 40 IEAB COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2=O)cc1OC 9829804 SKRJMOYAQZXYPP-KRWDZBQOSA-N 442.491 2.480 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC(C(=O)N4CCCCCC4)CC3)ccc21 10109544 NWBXINJMUFJJSH-UHFFFAOYSA-N 433.574 2.264 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CC2)cc1 11126801 LJIONECUDQHGSL-UHFFFAOYSA-N 441.509 2.260 0 40 IEAB COc1cc([C@H]2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)ccc1OCc1ccccc1 11859431 KKJFAMLSCUPRBL-QFIPXVFZSA-N 449.511 2.435 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(C(=O)[C@@H](C)N4CCCCC4)CC3)c(=O)c2c1C 12188650 ZXUOAQXYGZIJSY-MRXNPFEDSA-N 432.590 2.303 0 40 IEAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cnc(-c4ccncc4)nc3C)CC2)cs1 12229997 JJFKOOCJUSFDEX-UHFFFAOYSA-N 443.554 2.364 0 40 IEAB CCN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2)CC1 13565835 AEPDWIFPJZPJRH-UHFFFAOYSA-N 435.521 2.194 0 40 IEAB O=C(CN1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C2CCCC2)CC1 19292000 ZFLXGJXZQQCYPA-FQEVSTJZSA-N 441.620 2.236 0 40 IEAB CC(C)N1CCC(C(=O)N2CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)CC1 19693469 XROIFXSHPPJMCV-FQEVSTJZSA-N 437.544 2.263 0 40 IEAB O=C(Cn1cc(C(=O)N2CCCC[C@@H]2CN2CCCC2)ccc1=O)NCc1ccccc1 19751029 KJDNLNQOWQMNEF-JOCHJYFZSA-N 436.556 2.255 0 40 IEAB COC(=O)c1ccc(CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)cc1 20568005 UIBLWWNNNRBPEQ-UHFFFAOYSA-N 429.498 2.237 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 24709758 CXGNSANPWZNINV-JOCHJYFZSA-N 443.525 2.099 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1OC 26111924 UILKVMBHNOPTEJ-RMKNXTFCSA-N 429.542 2.075 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc(I)cc1 29631429 ROTMBSYWVXPLRH-VIFPVBQESA-N 449.270 2.202 0 40 IEAB CCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)N(C)C1=S 39556727 TWRQKBWPJUBJMA-YLRSXTQRSA-N 426.542 2.356 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)cc1 39978306 QRJZBLJDJTWQCK-HOCLYGCPSA-N 438.546 2.279 0 40 IEAB CCCCN(C)S(=O)(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1 78336335 CXLAZYZKHWQKRU-UHFFFAOYSA-N 427.596 2.325 0 40 IEAB CCS(=O)(=O)[C@](Br)(I)[C@H](O)c1cccc(N)c1 96521114 ZDNSKSULELYKPY-NXEZZACHSA-N 434.093 2.221 0 40 IEAB Cc1ccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O[C@@H](C)C(=O)NC(C)(C)C)[C@@H]4C2=O)c(C)c1 100442906 UKQQBDFNACHYKG-MKZAIUOTSA-N 426.513 2.436 0 40 IEAB COC(=O)C[C@]1(C(=O)OC)Nc2cc(F)ccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 102252132 CJNLKNLGFZSCFN-NRFANRHFSA-N 442.378 2.065 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222600419 RTDIDIGVBUHIGL-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB COc1ccc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1C(=O)NC(C)C 223851875 YJIIHJCRADRVFI-UHFFFAOYSA-N 445.541 2.439 0 40 IEAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224230341 VNQPJCMOQNDWQF-HXUWFJFHSA-N 436.530 2.298 0 40 IEAB COc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)cc1 225159246 UJGSKYSMEHTXIK-UHFFFAOYSA-N 448.526 2.465 0 40 IEAB COc1ccc(CNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1OC 225161350 VVNQEMTVFBBIGS-UHFFFAOYSA-N 426.922 2.435 0 40 IEAB COc1ccc(NC(=O)N2CCC(O)(c3csc(CN4CCOCC4)n3)CC2)cc1 225424223 SRYRKJSLOHMXCY-UHFFFAOYSA-N 432.546 2.499 0 40 IEAB biogenic,in-vitro COc1ccc(OC)c(-c2cc(C(=O)NC[C@H](O)c3ccc4c(c3)OCCO4)n(C)n2)c1 245015274 LTTDHVHNEJLQOF-IBGZPJMESA-N 439.468 2.339 0 40 IEAB CN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCCNc1ncccn1 257250343 JMDGELBKFXUJBY-QHCPKHFHSA-N 435.532 2.102 0 40 IEAB Cc1nc(C(=O)N2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cs1 306131874 KRTMBZBVUGUIHP-WMZHIEFXSA-N 449.536 2.279 0 40 IEAB COc1ccccc1Oc1ccc(NC(O)=c2ccc3c(c2)CC[N+]=3S(C)(=O)=O)cc1 409416091 BCMIHSIOJASQJE-UHFFFAOYSA-O 439.513 2.230 0 40 IEAB O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CN(CC(F)F)C2)CC1 622547215 FAGSOSHJIPDPGD-UHFFFAOYSA-N 436.286 2.240 0 40 IEAB COc1cc(CN(C)C[C@@]2(O)CCCN(c3cnccn3)C2)ccc1OCCCN(C)C 2037924044 PVNHYAXKPKJQRH-DEOSSOPVSA-N 443.592 2.279 0 40 IEAB COc1cc(/C=c2\sc3n(c2=O)CN(c2ccc(Cl)cc2)CN=3)cc(OC)c1OC 2251155 XWEWSYNXXUERJZ-ZDLGFXPLSA-N 445.928 2.473 0 40 IEAB CCc1ccccc1NC(=O)CN(C)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 3463984 MADDDQQRNCULQR-XMMPIXPASA-N 434.496 2.039 0 40 IEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCCCCN1C(=O)c3ccccc3C1=O)C2=O 9442878 HAZQMALDPONVBS-IQMFZBJNSA-N 441.484 2.107 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)c(F)c4)[C@@H]3C2=O)cc1OC 9675595 KHNYNZVOVSLORG-OALUTQOASA-N 441.419 2.083 0 40 IEAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)o2)cc1 9707668 QPMHAXRBSRVJLG-UHFFFAOYSA-N 440.437 2.046 0 40 IEAB Cc1cccc(NC(=O)NC(=O)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)c1C 9721359 FTFJNYWPJJGYAY-UHFFFAOYSA-N 428.470 2.047 0 40 IEAB O=C(CSc1nnnn1C1CCCC1)Nc1cc2[nH]c(=O)[nH]c2cc1Br 9730520 ZBGMVTNYCKZKMB-UHFFFAOYSA-N 438.311 2.451 0 40 IEAB CCN(C(=O)COC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 11875000 FPCHOUPWWZJHLT-UGAXZCSASA-N 439.530 2.074 0 40 IEAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N[C@H]4C=CS(=O)(=O)C4)cc3)cc2c1 12322404 UXDFRMZNIUBVKR-INIZCTEOSA-N 441.461 2.274 0 40 IEAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)n1 19290039 ULDRDBITHKVYPZ-IBGZPJMESA-N 431.562 2.207 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N[C@H]3CCCC[C@@H]3C)CC1)CNC2=O 19496204 JRJYJJIJSYACCC-UXSWERMXSA-N 443.544 2.264 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N4CCCC[C@@H]4C)CC3)c(=O)c2c1C 19561450 RGVUYJKMBYPSSM-HNNXBMFYSA-N 432.590 2.303 0 40 IEAB CN1CCN(CC(=O)N2CCC[C@@H](c3nc(O)c4c5c(sc4n3)CCCC5)C2)CC1 19589977 HZMTZFDTQUFLLD-OAHLLOKOSA-N 429.590 2.229 0 40 IEAB Nc1nc(C2CCN(C(=O)CC[C@@H]3CCC(=O)N3)CC2)ccc1C(=O)NC1CCCC1 19765867 QRVSXWHPXZCYBR-KRWDZBQOSA-N 427.549 2.101 0 40 IEAB Cc1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)c(C)c1 21264299 UGPXAHQBWHAZRI-UHFFFAOYSA-N 442.585 2.412 0 40 IEAB COc1cc(C(=O)NCC(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC 21358593 BMSLWHCPGVNOEP-OFQRWUPVSA-N 436.505 2.069 0 40 IEAB COc1ccccc1N1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 22768876 XOCAKVRVUVHHTK-HNNXBMFYSA-N 426.542 2.126 0 40 IEAB CCN1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 22992150 JJLWCCNFKSSYCD-KRWDZBQOSA-N 444.395 2.203 0 40 IEAB CCOC(=O)c1c(NC(=O)Cn2cccc(C(F)(F)F)c2=O)sc(C(=O)NC)c1C 25499084 LNNOOGSOAGGANE-UHFFFAOYSA-N 445.419 2.412 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NC3Cc4ccccc4C3)CC2)cc1 32101602 GZVCXNIIYLHYRT-UHFFFAOYSA-N 441.553 2.329 0 40 IEAB O=C(CCC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1ccc(Br)cc1 32731561 JKBHWAPXUBPUIF-UHFFFAOYSA-N 436.350 2.179 0 40 IEAB Cc1cc(=O)c(C(=O)NCC2(N3CCOCC3)CCCCC2)nn1-c1ccccc1F 32780886 YNEBXNUQGFFETA-UHFFFAOYSA-N 428.508 2.445 0 40 IEAB CCOc1ccc(C[C@@H](CNS(=O)(=O)c2cccc(Br)c2)C(N)=O)cc1 48374861 KROJQXAJOHQMFU-AWEZNQCLSA-N 441.347 2.470 0 40 IEAB Cc1ccc(C)c(N2CCN(C(=O)c3snc4c(=O)n(CC(C)C)c(=O)[nH]c34)CC2)c1 49409880 WXPJQGRWCBESPO-UHFFFAOYSA-N 441.557 2.382 0 40 IEAB CCCN(CCC)CC(=O)Nc1ccccc1C1=NNC(=O)[C@H]2[C@@H](C(=O)NC(C)C)[C@@]12C 57774729 YVXLYRYEJKWSIT-DCLXLUIPSA-N 441.576 2.358 0 40 IEAB COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C[C@H]4C=CCC4)C3)cc(=O)[nH]2)CC1 72399239 XKRGXXZOLRPFEJ-HKUYNNGSSA-N 442.560 2.185 0 40 IEAB Cc1c(CCC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 79189969 JHFLIZBZAZEBEU-HNNXBMFYSA-N 433.526 2.441 0 40 IEAB biogenic CC(C)(C)c1cc2nccc([C@H]3CC[C@H](CNS(=O)(=O)N4CCOCC4)CC3)n2n1 100159325 CBJXWUDHIFWCNU-CALCHBBNSA-N 435.594 2.467 0 40 IEAB COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 109036539 ZBHDGZGTOBWBBF-UHFFFAOYSA-N 446.558 2.292 0 40 IEAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N1CCN(Cc2ccccc2)CC1 223056726 CPXZOJQSODYTOH-UHFFFAOYSA-N 443.569 2.159 0 40 IEAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N1CCN(c2ccccc2)CC1 223056809 PERXIBCVGWNCEQ-UHFFFAOYSA-N 429.542 2.163 0 40 IEAB COc1ccccc1OCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 224030549 ZQVAGKGGOQGASS-UHFFFAOYSA-N 434.514 2.297 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)c1ccc(F)cc1 224189108 QMRQLRFAUUOVEG-UHFFFAOYSA-N 429.901 2.287 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 224233041 RNCJHXSRXXJXNX-CQSZACIVSA-N 439.509 2.333 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225195072 MCRIXGOWWZWBIY-GOSISDBHSA-N 431.558 2.233 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408664425 QMLLJKKQBVONFW-YMKFXDTLSA-N 432.860 2.026 0 40 IEAB CNC(=O)C12CCCCN(C(=O)C3CC3)CCOc3ccccc3C(=O)N(CC1)CC2 643574200 IQDCCBUSYCZDFM-UHFFFAOYSA-N 427.545 2.456 0 40 IEAB COc1ccccc1CCN(C(=O)/C=C/C(=O)O)[C@H]1CC(=O)N(c2ccccc2C)C1=O 2793065 PVQIJCLVISYLRY-CVTTXWKISA-N 436.464 2.348 0 40 IEAB CCCCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O 6530407 RVVONXJAJXTIKM-UHFFFAOYSA-N 449.305 2.051 0 40 IEAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)N1CCN(c2ccccn2)CC1 8718688 SPUOMWMLMXHXQW-JOCHJYFZSA-N 449.555 2.010 0 40 IEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1=O 8721438 VMGCCTRUKBAUBR-IBGZPJMESA-N 440.422 2.201 0 40 IEAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2cc(C)ccc2C)c(=O)c3=O)cc1 8849389 JMFJHBPASMPRNK-UHFFFAOYSA-N 435.484 2.211 0 40 IEAB O=C(NCC(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1)c1ccccc1 9340524 IEFGYZPLRCGFTL-UHFFFAOYSA-N 434.540 2.004 0 40 IEAB O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9516259 XPSCMXACVGCNJD-QGZVFWFLSA-N 429.498 2.009 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)c(F)c3)C2=O)cc1OC 9675597 KHNYNZVOVSLORG-MOPGFXCFSA-N 441.419 2.083 0 40 IEAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 9787751 LDESEPOOVCYIFJ-HNNXBMFYSA-N 429.498 2.384 0 40 IEAB CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 9974453 NYKXABHQRWFVLJ-AWEZNQCLSA-N 433.368 2.393 0 40 IEAB COc1ccc(N(CC(=O)NCCCN2CCCCCC2)S(C)(=O)=O)cc1Cl 10111175 FDHCELIMBUYUSW-UHFFFAOYSA-N 431.986 2.497 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@@H]1c1ccc(OC)cc1 10166076 RNAMSZDQJHRUNK-AEFFLSMTSA-N 426.469 2.212 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 12746217 GKKMALSEDUSTJD-NRFANRHFSA-N 447.532 2.161 0 40 IEAB O=S(=O)(c1cccc(F)c1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 12821377 OTYWEDDAZPENRP-UHFFFAOYSA-N 438.488 2.466 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12832136 WMJRHSLWFXMUGC-IBGZPJMESA-N 442.497 2.241 0 40 IEAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(C)(=O)=O 13566739 ZINIIKTYVMVCRP-UHFFFAOYSA-N 436.921 2.244 0 40 IEAB CS(=O)(=O)c1ccc(-c2nnn(Cc3cc4c(cc3Br)OCO4)n2)cc1 13606794 XDKXJDOERAWYFO-UHFFFAOYSA-N 437.275 2.283 0 40 IEAB CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 15333406 RGGJHOAVMKFFET-JOCHJYFZSA-N 425.441 2.262 0 40 IEAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)COc3ccccc3F)[nH]c2=O)C1 19499112 IWONQBUKPZIRDW-GOSISDBHSA-N 442.491 2.336 0 40 IEAB CNc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)nc2c1CN(C(C)=O)CC2 19711424 XYTUJMYUXKEQEA-UHFFFAOYSA-N 441.507 2.347 0 40 IEAB Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1 38582171 AXUMRPZQSMLAQM-CQSZACIVSA-N 426.454 2.289 0 40 IEAB CN1CCN(CCCn2ccc3nc4ncnn4c(-c4ccccc4Cl)c3c2=O)CC1 40398103 GGZCMHNPJRHVOI-UHFFFAOYSA-N 437.935 2.397 0 40 IEAB COc1ccc(OCc2noc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1 49027623 YQOMXDKHWFHKIU-UHFFFAOYSA-N 432.458 2.094 0 40 IEAB C[C@H]1C[C@@H](C)CN(c2nccn3c(=O)n(CC(=O)NCc4ccccc4Cl)nc23)C1 49400342 TYWCNJZVMUFJEB-GASCZTMLSA-N 428.924 2.343 0 40 IEAB O=C(C1=NN(Cc2ccc(F)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1 49402782 WBEQOQDUVZMCFC-UHFFFAOYSA-N 437.880 2.445 0 40 IEAB Cc1cc(C)n(-c2ccc([C@@H](C)NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2)n1 79062635 FHCSIJFVWOOJEF-OAHLLOKOSA-N 434.543 2.176 0 40 IEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(C(=O)O)c(C(F)(F)F)c3)ccc21 95428146 HAYSIZUPNDNKQH-UHFFFAOYSA-N 429.376 2.395 0 40 IEAB COc1ccc([C@H]2CCCN2C(=O)C2CCN(c3cncc4nnnn34)CC2)cc1OC 95436643 XMZDQZVIDJYRDO-QGZVFWFLSA-N 437.504 2.117 0 40 IEAB CCc1cc(O)n2nc(C3CCN(C(=O)c4ccoc4CN4CCOCC4)CC3)cc2n1 100137541 LCLVCMUJEYSDBP-UHFFFAOYSA-N 439.516 2.442 0 40 IEAB CC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cnc4ccccc4n3)c(=O)n12 105264309 RHYWQDWQPNZWEW-IEZKYOAQSA-N 442.500 2.218 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 222936173 VWCUKKMRQOIEJJ-FQEVSTJZSA-N 447.557 2.015 0 40 IEAB Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)c4ccc(OCCCN)cc4)C3)c2n1 257207855 BJPQBAOBMBYCPS-RUZDIDTESA-N 449.555 2.379 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc1 390828580 BGSBLPSQUBMBHG-UHFFFAOYSA-N 443.451 2.401 0 40 IEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)cc1C 408616222 XQDDOSLFKRNKPI-MSOLQXFVSA-N 439.512 2.171 0 40 IEAB O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 531417706 GIDOVFZOZMPXTF-MRXNPFEDSA-N 439.859 2.021 0 40 IEAB O=S1(=O)CC[C@@H](N(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575422235 APDHSYWXTMNCCZ-NEPJUHHUSA-N 428.359 2.350 0 40 IEAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)CCc1cnn(C)c1)C2 643576266 SNEUPEXNJJSRLL-UHFFFAOYSA-N 428.533 2.459 0 40 IEAB Cn1cc(-c2cnc(OC3CCN(C(=O)C[C@H]4COc5ccccc5O4)CC3)nc2)cn1 1889250142 FIHUVQGXSLSSCK-IBGZPJMESA-N 435.484 2.477 0 40 IEAB Cn1cc(N2CCC(NC(=O)CC(c3ccccc3)c3ccccc3)CC2)c(=O)n(C)c1=O 1889258109 ZERIYNGDCVKPME-UHFFFAOYSA-N 446.551 2.391 0 40 IEAB COc1ccc2c(=O)n(CC3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)cnc2c1 1889296371 VUVHBVSRUXVCGE-UHFFFAOYSA-N 448.479 2.252 0 40 IEAB CCSc1nnc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 3275145 FIDKVSSACADSJH-VMPITWQZSA-N 440.572 2.323 0 40 IEAB COc1ccccc1N1C(=O)C[C@@H](N2CCC(n3nnc(-c4cccs4)n3)CC2)C1=O 8694543 YXNOOQBNVHVGAR-MRXNPFEDSA-N 438.513 2.379 0 40 IEAB CSCC[C@@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)O 8876193 WNACZQYSHMQHPZ-MSOLQXFVSA-N 447.557 2.258 0 40 IEAB biogenic CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)ccc12 8952303 YUUQXLKYWIGONJ-NRFANRHFSA-N 446.500 2.164 0 40 IEAB biogenic COC[C@@H](C)n1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O 9666631 RJIVTQCVZIQDAP-LLVKDONJSA-N 432.527 2.495 0 40 IEAB Cc1ccnc(SCCCn2c(N3C[C@@H](C)C[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248820 WXRRXBJAACOTQI-KBPBESRZSA-N 443.577 2.186 0 40 IEAB COc1ccc(Br)cc1-c1nnc2n(C(C)C)c3c(=O)n(C)c(=O)n(C)c3n12 10969963 IITDLOYYKULVFV-UHFFFAOYSA-N 447.293 2.100 0 40 IEAB COc1ccc(NC(=O)c2cc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)ccc2F)cc1 12031369 WSRZGBKMYCPMLV-OAHLLOKOSA-N 427.475 2.047 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N1CC[C@@H]3CCCC[C@@H]3C1)c(=O)n2Cc1ccccc1 12506924 GUBPQPRYVLWJFE-VQTJNVASSA-N 449.555 2.467 0 40 IEAB CN1C[C@@H](NC(=O)CC(C)(C)CC(=O)O)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 12530059 OJJXRTIYSGSWEY-KBPBESRZSA-N 430.461 2.218 0 40 IEAB biogenic,in-vitro Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n2C)cc1 13880320 MJVRPKIBDBAWSK-UHFFFAOYSA-N 439.497 2.483 0 40 IEAB O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 14076922 HDJRLROBFOIYJL-UHFFFAOYSA-N 445.516 2.489 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)NC3CCCCC3)CC1)O2 19562147 IKIBZBSPODLSNS-HSZRJFAPSA-N 429.517 2.018 0 40 IEAB Cc1nn(C)cc1NC(=O)[C@H]1[C@@H](C(=O)NCc2ccncc2)[C@@]1(C)C(=O)c1ccccc1N 19583943 NHBIBWPLQKYBEJ-DCLXLUIPSA-N 446.511 2.096 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3OC)CC1)C2=O 19699355 NTIVLVMCOZOPNW-UHFFFAOYSA-N 442.560 2.025 0 40 IEAB Cc1cnc(CCNC(=O)c2ccc(=O)n(CC(=O)Nc3nc(C)c(C)s3)c2)s1 19749326 GNRCHZGQISBSDA-UHFFFAOYSA-N 431.543 2.298 0 40 IEAB COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccccc1 19818043 LNZNCYCIMHBZSR-OALUTQOASA-N 426.904 2.478 0 40 IEAB O=C(NCCC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@@H]1COc2ccccc2O1 20733975 IBMMZRPLVWMIII-FQEVSTJZSA-N 429.904 2.335 0 40 IEAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)o1 20955657 SRJAFGFSMKGVOS-KRWDZBQOSA-N 443.529 2.005 0 40 IEAB C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N[C@H]1CCS(=O)(=O)C1 22019994 FYRWJNVGAGBKMV-MNOVXSKESA-N 432.618 2.038 0 40 IEAB C[C@@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1 22436914 IKCJYOTVXKXSFU-QGZVFWFLSA-N 431.558 2.483 0 40 IEAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Oc1ccccc1 22797839 AOLOFSZDEKUUSU-GOSISDBHSA-N 429.542 2.222 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 32814823 NAZQBZALMHKPGN-PZJWPPBQSA-N 449.573 2.053 0 40 IEAB COc1ccc(CCN(Cc2cnn(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1OC 36615328 MYJKHHZMWIOSEX-UHFFFAOYSA-N 447.561 2.221 0 40 IEAB O=C(c1ccc(S(=O)(=O)NC2CC2)o1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 40088777 DFAQDSJPPZRMMR-UHFFFAOYSA-N 444.435 2.097 0 40 IEAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 44907744 IGGJIKNLGHVDFF-CLCXKQKWSA-N 443.997 2.351 0 40 IEAB COc1cc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccc(OC)c(C)c3)cc2c1 49597351 JHKCOKPMSPTHNX-UHFFFAOYSA-N 432.498 2.383 0 40 IEAB CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccc(C)c1 58144911 HHAQJKXINJLXMR-UHFFFAOYSA-N 433.530 2.465 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NO[C@@H]3CCCCO3)ccc2Cl)C[C@@H](C)O1 58416248 YSFUDNNBEJLFGG-IIYDPXPESA-N 432.926 2.326 0 40 IEAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(S(=O)(=O)NC4CC4)c3)C2)n1 59335443 XESHWVNXETWWJQ-QGZVFWFLSA-N 442.541 2.322 0 40 IEAB O=C(c1cnccn1)N1CCc2nc(C3CCN(Cc4ccc(F)cc4)CC3)[nH]c(=O)c2C1 72399014 MRNNLCVRRACTSO-UHFFFAOYSA-N 448.502 2.277 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(SC)c4)[C@@H]3C2=O)cc1 101166123 CFJXHEAUNJCDTB-ROUUACIJSA-N 425.470 2.349 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 169313751 SYAJQMSNCWYZCA-DLWHVABMSA-N 445.523 2.276 0 40 IEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(O)c(C)c(C)[nH]c3=O)cc2)nc(C)n1 207011437 SPUTWVHBHRNHJQ-UHFFFAOYSA-N 443.485 2.157 0 40 IEAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCSc1ncn[nH]1 226007634 TYQAZGAKLAOPKZ-UHFFFAOYSA-N 449.533 2.043 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 408626841 XUSJNNRUXBNACO-INIZCTEOSA-N 433.530 2.246 0 40 IEAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 501930619 ZTEJAGCNJLIXRB-RDTXWAMCSA-N 446.467 2.331 0 40 IEAB CCN(CC)CCCN(CC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 575424514 TUWJNIOUTFUCKE-SFHVURJKSA-N 426.579 2.108 0 40 IEAB COc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1NC(C)=O 575426293 QOUKZHCCUMUNHQ-MRXNPFEDSA-N 438.527 2.036 0 40 IEAB O=C1NCCOCCOc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2Cc2cccc1c2 643575526 LPEZAXBWEXOJPK-LJQANCHMSA-N 438.524 2.261 0 40 IEAB CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1F 2439033 JZWCXXCRLKIYID-UHFFFAOYSA-N 435.506 2.482 0 40 IEAB COCCn1c(C)c(C)n2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc12 6300121 KWXBTAFWVFLHMB-UHFFFAOYSA-N 433.871 2.253 0 40 IEAB Cc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1)n(C)c(=O)c(=O)n2C 8604807 KERUTHIRDDHNQK-UHFFFAOYSA-N 438.303 2.109 0 40 IEAB O=C(CN1CCN(c2ccc(F)cc2)CC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 8710990 FRHOGEJUQYCKNE-OAQYLSRUSA-N 437.581 2.296 0 40 IEAB CCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCOCC1 8824069 MRASEDXPEXJCRN-UHFFFAOYSA-N 428.441 2.304 0 40 IEAB Cc1cccc(C)c1-n1nnnc1C1(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CCCCC1 9130632 KONMQGRNBLAWEG-NDBKNAECSA-N 449.511 2.305 0 40 IEAB Cc1c(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 9183884 QMTAUOMKFOPLDT-OAHLLOKOSA-N 433.526 2.393 0 40 IEAB Cc1cccc(N2CCN(C(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)CC2)c1C 9427013 JBXDYGUZBJRRNC-UHFFFAOYSA-N 430.574 2.265 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1NC(C)=O 9508717 YUCULFLRKQPACV-UHFFFAOYSA-N 441.531 2.141 0 40 IEAB O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9639976 GRDZCSGAEQSELN-OAHLLOKOSA-N 432.908 2.478 0 40 IEAB O=C(COC(=O)CNS(=O)(=O)c1cccc(Br)c1)Nc1ccc(F)cc1 9883397 GYKZNNSYMRCUGG-UHFFFAOYSA-N 445.266 2.048 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CNC(=O)NCc3ccc(F)cc3)CC2)c(F)c1 10257428 HHMGUMYSVWWWRU-UHFFFAOYSA-N 430.455 2.315 0 40 IEAB Cc1ncc(-c2ccncc2)c(CN(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1 12088873 FVVGYWMGTKWXKY-UHFFFAOYSA-N 425.470 2.113 0 40 IEAB COC(=O)[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 12799057 NIVXOTQABCDHQH-SFHVURJKSA-N 438.546 2.428 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CCN(C)c4nc5ccccc5nc43)CC2=O)cc1OC 12913646 BPZFBTRHFIRPSZ-OAHLLOKOSA-N 447.495 2.483 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C[C@@H](C)O1 13042414 ZUNVUVFKFJFCCX-KDURUIRLSA-N 443.569 2.447 0 40 IEAB COc1ccccc1C(=O)NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13113234 ZLLGUYZEIRCTOW-UHFFFAOYSA-N 431.514 2.238 0 40 IEAB CCn1nnc2c(N3CCN(CC(=O)Nc4ccc(C(F)(F)F)cc4)CC3)ncnc21 13534169 FRXSHQNORWKWEN-UHFFFAOYSA-N 434.426 2.021 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)s1 14241450 LGRHBMRFLXXXDF-UHFFFAOYSA-N 434.898 2.428 0 40 IEAB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 16479364 BXCWREIWFAXEBW-UHFFFAOYSA-N 446.548 2.371 0 40 IEAB Cc1cc(C(F)(F)F)nn1CC(=O)N1CCc2nc(-c3ccncc3)nc(O)c2CC1 19119200 ASRKGMZZJDZBEO-UHFFFAOYSA-N 432.406 2.395 0 40 IEAB CN(C)c1cc(CNC(=O)COC[C@@H]2COc3ccccc3O2)nc(-c2cccnc2)n1 19584500 XLOLMTBNIGIWMS-GOSISDBHSA-N 435.484 2.077 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)Oc2ccccc21 20048258 ODVZHPIZXBWQKF-IBGZPJMESA-N 435.933 2.216 0 40 IEAB Cn1cnc2c(=O)oc3ccc(S(=O)(=O)N4CCN(Cc5ccccc5)CC4)cc3c21 20560440 RYRLQBHNVHRUOK-UHFFFAOYSA-N 438.509 2.186 0 40 IEAB C[C@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 23053541 ITKRZVLQVRUHIF-KRWDZBQOSA-N 431.533 2.500 0 40 IEAB COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCOCC2)cc1 23107529 XPLSEMVRJBNRSI-HXUWFJFHSA-N 431.920 2.155 0 40 IEAB COc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1OC 30752088 READKJZLIUWTCC-UHFFFAOYSA-N 435.546 2.250 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 34867509 QAJQFZSOTINISB-UHFFFAOYSA-N 441.912 2.433 0 40 IEAB CCCCN1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 35374998 BXVDQRDBKKLZOL-IHSNIMORSA-N 432.318 2.476 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cc(N5CCCC5)ncn4)CC3)CC2=O)cc1C 36708253 FCPBROVDXVCHFU-HXUWFJFHSA-N 448.571 2.395 0 40 IEAB Cc1nc(C(=O)NCCn2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cs1 38483713 FVDWDHPICOBLFM-UHFFFAOYSA-N 448.556 2.348 0 40 IEAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1 40051366 IUGRJSZZEHRKAE-UHFFFAOYSA-N 429.420 2.435 0 40 IEAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCCn1nc2ccccn2c1=O 40155269 KQFLDMMHRCRVBI-UHFFFAOYSA-N 443.511 2.448 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3nc4ccccc4n3C)CC2)c1 42380820 WQXUNRFMPXJRRH-UHFFFAOYSA-N 430.530 2.097 0 40 IEAB Cc1ccc(NC(=O)Cn2c(=O)n(CC(=O)NC3CC3)c(=O)c3oc4ccccc4c32)cc1 49402424 GHLQPUAKJRTFPS-UHFFFAOYSA-N 446.463 2.135 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)/C=C/c2cccs2)CC1 56907934 BWZIHPREZXEOLV-FUTAKVPZSA-N 434.587 2.283 0 40 IEAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CN(S(=O)(=O)c1ccc(F)cc1C)CC2 72372401 VUKPAYAUMNLWKU-GOSISDBHSA-N 447.536 2.396 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CCC(c2nn(C)c(=O)n2-c2ccccc2)CC1 90591360 IJWLFAQETHOCOK-UHFFFAOYSA-N 446.504 2.287 0 40 IEAB Cc1cccc(NC(=O)CN2CCN(CC(=O)NC(=O)Nc3ccccc3F)CC2)c1C 95357409 OIFNKJWHKOFBQH-UHFFFAOYSA-N 441.507 2.347 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95450454 GWROMYHFNRIXSQ-DYESRHJHSA-N 445.585 2.062 0 40 IEAB CCc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 105348852 FIWJEROXCFEZOZ-QSSPQYIVSA-N 425.529 2.073 0 40 IEAB Cc1nccn1-c1ccccc1CNC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 216260148 KPUWLLDEJHTJMB-UHFFFAOYSA-N 442.541 2.267 0 40 IEAB CC(C)c1ccccc1OCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 223765174 OLNIKRLNNQJRDS-UHFFFAOYSA-N 434.514 2.500 0 40 IEAB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=c2\sc3ncnn3c2=O)cc1 256055938 ZXBGBHVAZOPNJE-MFOYZWKCSA-N 442.884 2.378 0 40 IEAB C[C@H]1Cc2ccccc2N1CCCNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 260772432 YHVWZZVCOIMSJV-KRWDZBQOSA-N 431.558 2.419 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)cc1 408621350 LCKRMGZTMYGZRD-KRWDZBQOSA-N 447.557 2.110 0 40 IEAB Cn1c(=O)nc(O)c2cc(C(=O)N[C@@H]3CCC[C@@H]4CN(Cc5ccccc5)C[C@@H]43)cnc21 680269027 JNYOLWKUTUHVTG-LSTHTHJFSA-N 433.512 2.065 0 40 IEAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O 2269675 QDWRUVDTRCBFHT-HNNXBMFYSA-N 430.800 2.162 0 40 IEAB CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)OC(C)(C)C 5519452 PPOBHQUEJKYAOG-SLFFLAALSA-N 431.577 2.339 0 40 IEAB Cc1cccc(-c2nc(SCC(=O)NC3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 8896572 LBZRHCDSRPFBJM-UHFFFAOYSA-N 439.541 2.154 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc6c(c5)OCO6)C(=O)[C@@H]24)O3)cc1 9410523 PDNWLAIFJBGZSB-XSARVHFWSA-N 448.475 2.022 0 40 IEAB COc1cc(NC(=O)CCc2c(C)nc3c(C(N)=O)ncn3c2C)cc(OC)c1OC 9858588 DYIWJYDLECKYAN-UHFFFAOYSA-N 427.461 2.042 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)C1=O 11859489 BGVYKUUDOHBGIU-HNNXBMFYSA-N 431.489 2.101 0 40 IEAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cc1nn(CC)c(=O)c2ccccc12 12141870 KOQMCDROFBSNAV-QGZVFWFLSA-N 431.496 2.264 0 40 IEAB O=C(O)C[C@H](C(=O)O)c1ccc(OCCOc2ccc([C@H](CC(=O)O)C(=O)O)cc2)cc1 12285473 HCPDOMFJPYSCGA-ROUUACIJSA-N 446.408 2.430 0 40 IEAB biogenic CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 12425313 VFPATMIDXSKOIG-GUYCJALGSA-N 434.514 2.223 0 40 IEAB COc1ccc2c(c1)O[C@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)[C@]2(O)c1ccccc1 12872171 LMUGJHPMSJBXEO-RDGATRHJSA-N 448.475 2.270 0 40 IEAB COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2=O)cc1OC 12875491 JPHIWUMEQHTDHV-INIZCTEOSA-N 446.525 2.137 0 40 IEAB CC(C)(CNC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O)N1CCOCC1 12921757 TUFCJEODIHADLU-UHFFFAOYSA-N 426.542 2.352 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(S(N)(=O)=O)c3)cc2)C1 13095252 PCKOSOCZKBVKFO-CQSZACIVSA-N 437.543 2.007 0 40 IEAB C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1CCCO)c1ccc2c(c1)OCO2 14114100 LDFGVOSLCPECOQ-AWEZNQCLSA-N 441.509 2.477 0 40 IEAB Cc1ccc2cc(C)c3nn(CCNC(=O)[C@@H]4CSC(c5cccnc5)=N4)c(=O)n3c2c1 19234278 CTAVJQLKXQRVIY-SFHVURJKSA-N 446.536 2.339 0 40 IEAB CNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)CCn2cnnn2)C1 19591103 UXGNJFOPVFIPCE-QFIPXVFZSA-N 438.557 2.389 0 40 IEAB COC(C)(C)C(=O)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702836 QGDBUKRANNLRCO-OAHLLOKOSA-N 433.530 2.094 0 40 IEAB CCOC(=O)Cn1c(=O)n(CC)c(=O)c2c3c(sc21)CN(Cc1ccccc1)CC3 19819678 HSTNOAXSAHZHOW-UHFFFAOYSA-N 427.526 2.366 0 40 IEAB CC(C)CN(C(=O)c1cncc(Br)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 20968914 INAKLJZNIJVDSY-UHFFFAOYSA-N 438.326 2.235 0 40 IEAB CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC(C(N)=O)CC2)cc1OC 22627594 LYXGAPMKYAXRKN-QGZVFWFLSA-N 445.545 2.499 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1 24974728 CIAQRMFFMOHVTO-UHFFFAOYSA-N 427.548 2.440 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)CC2)c(F)c1 25063040 RLCROWHETAVNGB-UHFFFAOYSA-N 444.507 2.322 0 40 IEAB COC(=O)C1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCCCC1 25174898 LBFIMNPSRSEUMJ-HNNXBMFYSA-N 426.510 2.219 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc3ccccn23)c1 25392543 ZPVLTSFZKMDFQA-UHFFFAOYSA-N 425.923 2.364 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3nc(C(C)C)nc4c(C)nn(C)c34)CC2)cc1 28557733 DPNBSICKFGQGNQ-UHFFFAOYSA-N 444.561 2.315 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(-n2ccnc2)cc1 30516180 QRJAFBBBJXUIEK-IBGZPJMESA-N 427.530 2.317 0 40 IEAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 32362757 POTMQIBYFSWUPR-QZTJIDSGSA-N 428.510 2.131 0 40 IEAB COc1cccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(F)cc4)c3=O)n2)c1 38486678 MOIZAIZOHPIVNR-UHFFFAOYSA-N 433.403 2.282 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(C(=O)c2ccncc2)CC1 40050936 MBJFVYNEGCWENO-UHFFFAOYSA-N 442.541 2.357 0 40 IEAB COc1ccc(Nc2ccccc2C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 58977307 CSXCWJQGRZUXOS-UHFFFAOYSA-N 438.528 2.055 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)cc1 83843728 SFHXBTFGEWTNRY-DYXWJJEUSA-N 430.574 2.264 0 40 IEAB CN(C(=O)Cn1c(=O)ccn(Cc2cccc(Br)c2)c1=O)c1ccccc1 95448414 VONQSNLMWIASRP-UHFFFAOYSA-N 428.286 2.484 0 40 IEAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100399330 IRNJOXDPFSPIHX-VMXMZTHUSA-N 440.471 2.385 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21)Nc1ccccc1Cl 101352909 XSOZGOLLDNCZCO-ZWKOTPCHSA-N 441.831 2.043 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223001974 NNIVVACJOFXQIZ-ZCNNSNEGSA-N 425.529 2.190 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)COc2ccc3c(c2)CCCC3)cc1 224265906 DQUZNYHFKPDZSP-UHFFFAOYSA-N 432.542 2.390 0 40 IEAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCOC)ccc21 225303279 QUZYBSSFVQTWBR-UHFFFAOYSA-N 431.514 2.163 0 40 IEAB Cc1n[nH]c(SCCNC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)n1 225997923 LAYHAVHICWVBTE-UHFFFAOYSA-N 437.591 2.345 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)c(Cl)c1 408636065 KVNAEBBJHFNLIU-UHFFFAOYSA-N 426.922 2.302 0 40 IEAB Cc1ccc(CN(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 409004324 BVMXHLXWENVWDE-UHFFFAOYSA-N 443.569 2.218 0 40 IEAB O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cc(F)cc2cccnc12 502836111 NUMYALFRHWYCKL-GOSISDBHSA-N 436.491 2.399 0 40 IEAB O=S(=O)(Nc1cc(-c2ccncc2)[nH]n1)c1cccc(S(=O)(=O)N2CCCC2)c1 533636104 XXOGVDVQEDEPSM-UHFFFAOYSA-N 433.515 2.057 0 40 IEAB NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)c3cnn(CCC(F)(F)F)c3)c2)C1 543142502 FTGYEYQTSVMGES-QGZVFWFLSA-N 437.466 2.463 0 40 IEAB CN1c2ccccc2N(C2CCN(CC(=O)N3CCc4ccccc43)CC2)S1(=O)=O 575414216 VPIYCSCZXIDLCU-UHFFFAOYSA-N 426.542 2.241 0 40 IEAB CCc1ncnc(O[C@H]2CCN(C(=O)CN3CCN(c4ccc(F)c(F)c4)C3=O)C2)c1F 575608453 YHMLTMNJCHQKMY-AWEZNQCLSA-N 449.433 2.378 0 40 IEAB Cc1cc2c(cc1NC(=O)c1cc(-c3ccc4c(c3)OCO4)[nH]n1)N(C)S(=O)(=O)N2C 575612487 MSSFMWAYLAWTOH-UHFFFAOYSA-N 441.469 2.497 0 40 IEAB Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)NC3CC3)C[C@@H]1CO2 1772594819 YXRNOWVSLJHFAR-QGZVFWFLSA-N 425.489 2.148 0 40 IEAB CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)C[C@H](C(=O)O)O2 6182861 SVNACZROGVHTGQ-MRXNPFEDSA-N 445.902 2.175 0 40 IEAB CCSc1nnc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)s1 8724145 CAQNUQUHFVKVTF-UHFFFAOYSA-N 431.565 2.294 0 40 IEAB O=C(NCc1ccccn1)[C@@H]1[C@@H]2C(=O)N(CCc3c[nH]c4ccccc34)C[C@]23C=C[C@H]1O3 8792515 RQLZILOXHMFMSJ-WTEVXDJOSA-N 428.492 2.204 0 40 IEAB biogenic CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCOC)cc1Cl 9087234 RTIPJCXFLGQDSH-UHFFFAOYSA-N 445.907 2.442 0 40 IEAB Cc1oc2cc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2c(=O)c1-c1ccccc1 9282943 KANJLNZYNJBMNO-MRXNPFEDSA-N 427.478 2.451 0 40 IEAB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc2nc(N3CCOCC3)sc2c1 9461441 RAABOZBDWMFZAC-UHFFFAOYSA-N 440.481 2.230 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9491607 XWSPBLRPMYKCMY-DEOSSOPVSA-N 436.512 2.405 0 40 IEAB Nc1c(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 9581013 HSFIBJPAJKAAGM-UHFFFAOYSA-N 442.476 2.161 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 9783717 ITUHPHRWPBGZEH-CQSZACIVSA-N 441.513 2.471 0 40 IEAB C[C@H](NC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1ccccc1 10219816 OUHDFWMNWOHUPZ-ZDUSSCGKSA-N 442.472 2.256 0 40 IEAB COc1cccc(OCC(=O)NCCn2ncc3c(=O)n(Cc4cccc(C)c4)cnc32)c1 12072301 CDMLZXYKBHRLOL-UHFFFAOYSA-N 447.495 2.154 0 40 IEAB O=C(NC1CCCCC1)[C@H]1N(C2CC2)C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]12O3 12642074 SERHDJBFTOPWOL-ZJTKBAOVSA-N 441.572 2.197 0 40 IEAB COc1cc(CN(C(=O)Cn2[nH]c(=O)c3ccccc3c2=O)C2CC2)ccc1OC(F)F 12921418 UFPHSCNFZKSXKF-UHFFFAOYSA-N 445.422 2.491 0 40 IEAB Cc1cccc(NC(=O)CCC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1 12926904 VGBYCKBNZMEIAP-UHFFFAOYSA-N 443.548 2.491 0 40 IEAB COc1cc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c(OC)cc1Cl 12980327 KUNSFQYYOPHQHA-UHFFFAOYSA-N 429.860 2.368 0 40 IEAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCOCC1)NCCc1ccccc1 13082924 QPMALMOFZALTSA-UHFFFAOYSA-N 438.553 2.346 0 40 IEAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)s1 13102422 IGKWTJRLLRPNHN-QPJJXVBHSA-N 434.539 2.374 0 40 IEAB CCOC(=O)N1CCC(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 15741135 WYYAPENFALJNDW-UHFFFAOYSA-N 433.530 2.245 0 40 IEAB NC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 16681243 MHGYSIJUXHMSOK-UHFFFAOYSA-N 445.541 2.215 0 40 IEAB O=C(NCCc1ccco1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 17169818 JFHYZGKLSMHUAE-GOSISDBHSA-N 434.445 2.002 0 40 IEAB CCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 17248283 ZULOIWZKISCQJJ-UHFFFAOYSA-N 444.488 2.376 0 40 IEAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)[C@H]4CCCO4)C3)n2)CC1 19085284 NRXVYWWWDLLPKQ-PKOBYXMFSA-N 430.549 2.429 0 40 IEAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)COc1cccc(F)c1)C2 19708545 CAUGBLFBSBFYNW-INIZCTEOSA-N 441.507 2.347 0 40 IEAB CCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O 19824857 ZTUJIHCGTWQHKQ-UHFFFAOYSA-N 432.590 2.346 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2=O)cc1 19928779 VSUAXJQRJKSTJA-GOSISDBHSA-N 437.496 2.121 0 40 IEAB COc1ccc(CCNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1OC 19930486 UKMXZYVRZZQGBY-UHFFFAOYSA-N 432.542 2.436 0 40 IEAB Cc1cccc(N2CCN(C(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)CC2)c1C 22230833 FCGZZVZCLWJYOV-UHFFFAOYSA-N 431.558 2.427 0 40 IEAB Cc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)on1 22911905 GWVAHMYPEKCUAG-UHFFFAOYSA-N 441.410 2.076 0 40 IEAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1 24650574 RDOILZHXDYUDST-UHFFFAOYSA-N 445.541 2.442 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)cc1 48313559 QDWXAJONQIMBFF-UHFFFAOYSA-N 436.534 2.050 0 40 IEAB Cc1ccc(NC(=O)c2nnn(CC(=O)NCc3ccc4c(c3)OCO4)c2C)cc1F 71327460 AVEASTIOKKRNAX-UHFFFAOYSA-N 425.420 2.331 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccnc(Br)c1 79098507 MVELMJSASJQJSN-UHFFFAOYSA-N 426.292 2.117 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N(C)Cc1nc(-c3ccccc3)no1)O2 219400828 JCLVETPWNMCHJQ-SFHVURJKSA-N 442.497 2.231 0 40 IEAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1 225428126 FRICHBIWYUACBB-UHFFFAOYSA-N 432.454 2.244 0 40 IEAB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 225713735 SUAGQYVMSHZKGH-DEOSSOPVSA-N 437.496 2.101 0 40 IEAB S=C(NCCN1CCOCC1)Nc1nc(Cl)cc(N2CCc3ccccc3C2)n1 225906057 ANLQDGTVBITPPL-UHFFFAOYSA-N 432.981 2.311 0 40 IEAB CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(C(=O)COc3ccccc3)CCN21 253400924 MFCBAYQZSBWRFV-IBGZPJMESA-N 443.569 2.061 0 40 IEAB biogenic,in-vitro CCc1ccccc1N(CC(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(C)cc1 408576400 UINLMXBNNFDZPC-UHFFFAOYSA-N 445.585 2.201 0 40 IEAB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)c1 408623692 SOJBZTRXJJXAJU-OAHLLOKOSA-N 430.530 2.287 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408665238 RAZFKXSUAKONTM-IQUZMVKNSA-N 440.496 2.399 0 40 IEAB COCCCNC(=O)C[C@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C 1547138370 JWYSTXIQUKPCRY-LBPRGKRZSA-N 429.311 2.258 0 40 IEAB biogenic O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N[C@@H](CO)c1ccccc1 1565537900 INJMWNRTRNPIEF-SFTDATJTSA-N 434.496 2.261 0 40 IEAB biogenic CCc1ccc(OC[C@H](O)Cn2c(S[C@H](C)CC)nc3c2c(=O)[nH]c(=O)n3C)cc1 678579 DFIFKJGHEUERIK-UKRRQHHQSA-N 432.546 2.316 0 40 IEAB Cc1c(CC(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 2155712 IGVDLVQXTAYIKX-UHFFFAOYSA-N 448.431 2.374 0 40 IEAB biogenic Cc1ccc(NC(=O)COC(=O)c2ccccc2SC[C@@]2(C)NC(=O)NC2=O)cc1 3340041 SKARPBFYLAKFCZ-OAQYLSRUSA-N 427.482 2.481 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O 8769477 KYLGDVGRCJXSHH-UHFFFAOYSA-N 443.525 2.279 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H](c1ccco1)N1CCCC1 9337766 AGEQNIMONDNZMJ-HXUWFJFHSA-N 447.557 2.176 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9413429 UDCKARXBTMJAHE-WMZOPIPTSA-N 438.480 2.499 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@H]1c1ccc(OC)cc1 10166080 RNAMSZDQJHRUNK-SJLPKXTDSA-N 426.469 2.212 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 10749453 MCEYDSHUTQLRNJ-UHFFFAOYSA-N 447.557 2.276 0 40 IEAB Cc1nn(Cc2noc(C(=O)NCc3ccc4c(c3)OCO4)n2)c(C)c1Br 12372213 TTWXQFVGBLLZEJ-UHFFFAOYSA-N 434.250 2.352 0 40 IEAB O=C(NCCc1ccc(F)cc1)c1ccc2c(c1)C(=O)N(CCCN1CCOCC1)C2=O 12757433 LBYPGNYBRBRLPI-UHFFFAOYSA-N 439.487 2.117 0 40 IEAB COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1 13095245 HAHLUNVZTZRALS-UHFFFAOYSA-N 447.557 2.427 0 40 IEAB NC(=O)C1CCN(C(=O)CSc2nc3ccccc3c3nc(-c4cccnc4)nn23)CC1 13640171 TYOINZPRKIUSNJ-UHFFFAOYSA-N 447.524 2.156 0 40 IEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@H](O)COc2ccccc2)CC1 14248204 JOFCSVMSGHCCKQ-KRWDZBQOSA-N 444.475 2.452 0 40 IEAB CCN(C(=O)[C@H](C)OC(=O)c1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 16859836 GSDAOJHRFFXLGY-WMZOPIPTSA-N 433.530 2.070 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)O)CC2)cc1C 17099017 FZACPAHLSHTZRZ-TZJYRCSTSA-N 434.558 2.273 0 40 IEAB Cc1nc(C2CCN(C(=O)c3cn4cccc(C)c4n3)CC2)ncc1C(=O)N1CCOCC1 19766536 SRIYAFPAAZJWFX-UHFFFAOYSA-N 448.527 2.233 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc1)CC2 19797407 PTWINZDSFKSKOW-AWEZNQCLSA-N 444.509 2.215 0 40 IEAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2C)cc1OC 20021767 NIPUQJOTNDEVOX-UHFFFAOYSA-N 436.530 2.394 0 40 IEAB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)N1CCN(CCO)CC1)CCCC3 20622170 GEEVBAHGVMPPFT-UHFFFAOYSA-N 432.546 2.494 0 40 IEAB CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Cc1ccsc1 21584022 GLXQTGXZPPABKM-UHFFFAOYSA-N 434.008 2.428 0 40 IEAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24569058 NSKGDPZAKDWABL-ZDUSSCGKSA-N 429.860 2.485 0 40 IEAB C[C@@H](NC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](CNC(N)=O)C1)c1ccccc1 32935665 XWNZVNFFWYBSDZ-MSOLQXFVSA-N 437.544 2.496 0 40 IEAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)NCCc3nc(N)nc(N(C)C)n3)c2C)cc1 40091082 YEAFCHBEMBIAFH-ZHACJKMWSA-N 434.548 2.062 0 40 IEAB C[C@H]1C[C@H](C)CN(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 44907741 IGGJIKNLGHVDFF-DOXZYTNZSA-N 443.997 2.351 0 40 IEAB CCn1cc(C(=O)NC(C)C)c(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n1 67338443 GSNUZNDUPBXMQG-UHFFFAOYSA-N 433.578 2.169 0 40 IEAB Cc1cc(C(=O)CN2CCN(C(=O)C3CCCCC3)CC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 72274633 BNASAGKZPCISCE-HXUWFJFHSA-N 449.617 2.372 0 40 IEAB COc1ccc(-n2ncc3c2N(CC(=O)N2C[C@H](C)C[C@@H](C)C2)C(=O)N2CCN=C32)cc1 72347813 UTWMFRMBJOORKB-HZPDHXFCSA-N 436.516 2.388 0 40 IEAB O=C(CC[C@@H]1NC(=O)NC1=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 72393489 KENZLPPJPOPBKJ-IBGZPJMESA-N 430.524 2.206 0 40 IEAB COc1ccc2cnn(CC(=O)NCCn3ccc4c(OC)cccc43)c(=O)c2c1OC 79193741 PUELGIWSZXBLIQ-UHFFFAOYSA-N 436.468 2.193 0 40 IEAB biogenic C[C@@H]1CN(c2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cn2)C[C@@H](C)O1 84713738 SKMWWCMEBPPFDR-ZNRGTERASA-N 433.578 2.360 0 40 IEAB O=S(=O)(c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)nc1)N1CCOCC1 95950753 UYQFZLRDZXLXJF-UHFFFAOYSA-N 436.965 2.078 0 40 IEAB CCCO[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)O)o3)CC2)CC1 95969728 SCTQVMKGOZQJEN-MRXNPFEDSA-N 442.534 2.186 0 40 IEAB O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NC[C@@H](O)c2ccccc2)CC1 101452560 OMIGSRCFCUJLRD-BVYCBKJFSA-N 437.540 2.189 0 40 IEAB CCOc1ccccc1CCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 219989883 WRQUVJZCXINQDX-UHFFFAOYSA-N 432.542 2.469 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)Nc1ccc(I)cc1 222369697 ZICDEKHPZFJWES-QQURXWMSSA-N 448.260 2.283 0 40 IEAB Cc1ccc(OCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C 224114374 MKGIBNCNYUYJGG-KRWDZBQOSA-N 448.541 2.424 0 40 IEAB O=C(Nc1nnc(S(=O)(=O)N2CCN(c3ccccc3)CC2)s1)c1ccccc1 224382630 RFMJYKOXKSDQLB-UHFFFAOYSA-N 429.527 2.301 0 40 IEAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224384650 KJXNCSUZLWDPBQ-HSALFYBXSA-N 443.519 2.410 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)Oc2ccccc21 225126040 NJOFYTDGCKRERJ-NRFANRHFSA-N 444.553 2.468 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCSCc2ccccc2)cc1OC 225407236 ROCWHKIGNWCEPM-UHFFFAOYSA-N 438.571 2.374 0 40 IEAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)ccc21 225493304 YGHFULDUEGIBJA-UHFFFAOYSA-N 446.481 2.360 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)N1CC(n2cc(COc3ccccc3)nn2)C1 225626491 IREASXUNTUGZSC-UHFFFAOYSA-N 426.498 2.104 0 40 IEAB CS(=O)(=O)N1CCCC[C@@H]1c1nnc(C2CCN(C(=O)C[C@H]3CCCCO3)CC2)o1 247538666 RKNBSMPRJCOROK-IAGOWNOFSA-N 440.566 2.221 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)Oc2ccccc21 260840370 UPZTUPFGEQHMAG-VBKZILBWSA-N 432.498 2.252 0 40 IEAB CCn1cc(CN2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 306141977 WLSPFYIXCVGNEJ-WOJBJXKFSA-N 439.541 2.134 0 40 IEAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 540473886 XACREQOKJVOQNG-NEWJYFPISA-N 428.488 2.463 0 40 IEAB CCOc1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4ncc(Cl)cn4)C3)C2=O)cc1 575611188 BSVFSVFOQUFYBU-SFHVURJKSA-N 445.907 2.451 0 40 IEAB CN(C)S(=O)(=O)N1CCC(CNC(=O)c2cc(Br)ccc2Cl)CC1 575615269 GQOJBDNFFKPTEH-UHFFFAOYSA-N 438.775 2.351 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)n2)n1 1775969933 SEOIYYGFZGPYLA-UHFFFAOYSA-N 444.499 2.104 0 40 IEAB CC(C)N(C)CC(=O)N1CCO[C@@]2(C1)C(=O)N(Cc1cccnc1)C[C@H]2c1ccccc1 2055785688 YRAPZNCAJWDQMA-WIOPSUGQSA-N 436.556 2.145 0 40 IEAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(C(C)C)c1ccc(Br)cc12 8843757 HKKMGFUTRNGPNV-MRXNPFEDSA-N 425.308 2.359 0 40 IEAB CCN(C(=O)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 9303012 DUUCZENNTGIQOI-BKNLMEGVSA-N 434.539 2.315 0 40 IEAB C[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccccc1F 9447569 ONCSEGNCWWQTKI-VNMLXUOPSA-N 427.501 2.259 0 40 IEAB O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9449619 HZYXXFNCAMIBJM-GOSISDBHSA-N 434.489 2.109 0 40 IEAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCCC1 9510550 BRKLDEYYQPXSMA-VFNWGFHPSA-N 429.517 2.358 0 40 IEAB Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n1-c1ccccc1 9512085 YQJKLJDAVZCQCV-AWEZNQCLSA-N 432.527 2.231 0 40 IEAB Cc1csc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)cc3)c(=O)[nH]2)n1 9518068 WHHOSGVMFVJUNE-UHFFFAOYSA-N 434.478 2.239 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 10791143 NIESGPGUYWGHDX-ZDUSSCGKSA-N 433.486 2.079 0 40 IEAB O=C(Cc1c[nH]c2ccccc12)NCc1ccccc1CS(=O)(=O)N1CCOCC1 12626900 VIDKLJPOHFRYBK-UHFFFAOYSA-N 427.526 2.189 0 40 IEAB COc1cc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)ccc1OC(F)F 12640666 HKHUJMUWMIYAJO-AWEZNQCLSA-N 449.472 2.125 0 40 IEAB CC[C@H](C)N(C(=O)COC(=O)/C=C/c1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 12642964 ZALPMPVEYSKMKG-PRHORXKJSA-N 439.530 2.074 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)cc2)C[C@@H](C)O1 12789104 WBSIILCOPKVMBO-MDOVXXIYSA-N 444.509 2.205 0 40 IEAB C[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)Nc1cccc(C(F)(F)F)c1 12792700 KJNBQDJHKGJDRA-NSHDSACASA-N 443.403 2.073 0 40 IEAB COc1ccc(CCCN(C)C(=O)CN(C)S(=O)(=O)c2cccs2)cc1OC 12875015 SEMSKUFFEPIULG-UHFFFAOYSA-N 426.560 2.477 0 40 IEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)COc2ccccc2OC)c(=O)[nH]c1=O 13063326 WILXMTBWABQXQZ-UHFFFAOYSA-N 432.521 2.386 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 14248191 HUAXHQUSBZMCOO-UHFFFAOYSA-N 442.493 2.338 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)NC(C)C 15433387 NUOOVJJPDUVNTP-UHFFFAOYSA-N 435.521 2.483 0 40 IEAB CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c1 16830957 CCMFEINZFGSGOG-NRFANRHFSA-N 431.558 2.177 0 40 IEAB O=C(C1CCCC1)N1CCC(c2nc(O)c3c(n2)CCN(C(=O)C2CCOCC2)C3)CC1 19014531 GGCFCALACOHGSF-UHFFFAOYSA-N 442.560 2.390 0 40 IEAB O=C(Cn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21)N[C@H]1CCS(=O)(=O)C1 19332268 HXRWBKVXCGCKLN-AWEZNQCLSA-N 449.891 2.363 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3cnc(-c4ccccn4)nc3C)CC2)cc1 19552846 BVKYPBXENRQECA-UHFFFAOYSA-N 439.541 2.362 0 40 IEAB COc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2cn(C)nc21 19696114 OVISHTQKUGBOSR-QGZVFWFLSA-N 444.488 2.495 0 40 IEAB CS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)cc1 19761346 ZYELMJLKGKSLBY-INIZCTEOSA-N 437.521 2.296 0 40 IEAB COc1cc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC 21358599 BMSLWHCPGVNOEP-SQWLQELKSA-N 436.505 2.069 0 40 IEAB CCOC(=O)C1CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 23403861 PFMBNUBMDXADAX-UHFFFAOYSA-N 436.306 2.351 0 40 IEAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 23560772 YOOMFSJQLFEWPT-BXUZGUMPSA-N 429.546 2.479 0 40 IEAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 32362758 POTMQIBYFSWUPR-ZWKOTPCHSA-N 428.510 2.131 0 40 IEAB COc1cccc(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2Br)c1 32770764 SHLQISYAKSKLMK-UHFFFAOYSA-N 427.320 2.474 0 40 IEAB O=C(NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C1=NN(c2ccccc2)C(=O)CC1 36386977 GDLSFGODJDKTJK-QGOAFFKASA-N 449.492 2.417 0 40 IEAB CCc1c(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)[nH]c(C)c1C(C)=O 40153937 XGMNLNJFXMFILK-UHFFFAOYSA-N 438.594 2.355 0 40 IEAB COc1cc(CN(C)C(=O)C[C@H]2NC(=O)N(C3CCCCC3)C2=O)cc(OC)c1OC 55104125 VOKANLNUBQZYCI-MRXNPFEDSA-N 433.505 2.314 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCc2ccc3c(c2)OCCO3)cc1 58467347 FMSHQZWJVYUCTA-UHFFFAOYSA-N 433.530 2.488 0 40 IEAB COc1cccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4OC)CC3)n2)c1 61721856 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426.517 2.419 0 40 IEAB Cc1cccc(CN2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@@H]3C2)n1 306136379 PSADTBGMCQALML-UXHICEINSA-N 437.525 2.016 0 40 IEAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3ncccc3C)n2C)cc1 409175837 VMWWZHQUNCIQOJ-UHFFFAOYSA-N 440.529 2.117 0 40 IEAB COc1cc(=O)n(C)cc1C(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888906863 VYSHAAZGOBEYKD-ROUUACIJSA-N 431.496 2.059 0 40 IEAB CCn1cc(CN2CCC3(CC2)CC[C@@]2(C(=O)N4CCCC4)CN(C(C)=O)C[C@@H]32)cn1 2055795830 DTLOPTQFYFVGQL-XUZZJYLKSA-N 427.593 2.366 0 40 IEAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C(=O)N1c2ccccc2NC(=O)C1(C)C 7834337 XVQUTHSORRQUSK-HUUCEWRRSA-N 427.501 2.473 0 40 IEAB C[C@@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 8825137 VKJBNPVUTZZLOQ-FKJOKYEKSA-N 440.418 2.486 0 40 IEAB CCOc1ccc(N2CCn3c2nn(CC(=O)c2ccc(Cl)cc2)c(=O)c3=O)cc1 8849584 CZPKEPMJCLVJCD-UHFFFAOYSA-N 426.860 2.492 0 40 IEAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 9319600 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BVMWMKDVKBHXOB-QPJJXVBHSA-N 448.611 2.466 0 40 IEAB O=C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCN(c2cnccn2)CC1 25344241 FXUZHKMBMASNHI-UHFFFAOYSA-N 427.464 2.235 0 40 IEAB CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3F)cc2)CC1 32125437 QVBKPXWYVHUEDD-UHFFFAOYSA-N 436.534 2.034 0 40 IEAB CN(C)C(=O)CN(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)CC(F)(F)F 32926906 YAWRVNXXQLRTRK-UHFFFAOYSA-N 448.445 2.392 0 40 IEAB Cc1cc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)on1 36389735 WXXGNFXBSGTRIR-ZDUSSCGKSA-N 446.451 2.335 0 40 IEAB CCCc1noc(COC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 40049959 BCCYEGJRVKVQGW-UHFFFAOYSA-N 439.398 2.438 0 40 IEAB COC(=O)c1cn(CC(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)c2ccccc12 48314263 XDABTVZRPCJOJQ-UHFFFAOYSA-N 449.507 2.444 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21)NC[C@H]1CCCO1 57427990 DUILOQGVEWDYIA-CQSZACIVSA-N 433.917 2.222 0 40 IEAB Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 71889503 HYSNWRHQHWEVMV-KRWDZBQOSA-N 440.548 2.351 0 40 IEAB O=C(C[C@H]1C=CCC1)N1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccnc2)CC3)CC1 72398922 KCRNLUXOTLPQBS-KRWDZBQOSA-N 447.539 2.426 0 40 IEAB O=C(NCc1ccc(-n2cncn2)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 84403181 BHKFDVHUJVOAEW-UHFFFAOYSA-N 440.510 2.455 0 40 IEAB COCCNC(=O)c1ccc2c(c1)[C@@H](c1ncn(C(C)C)n1)CN2C(=O)c1ccccn1 96156382 BYPAEKVNZAMDPP-SFHVURJKSA-N 434.500 2.423 0 40 IEAB O=c1cccc2n1C[C@@H]1C[C@@H](C2)N(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1 100628467 RWERFBZTMRQMDB-ICSRJNTNSA-N 435.576 2.465 0 40 IEAB CN1CCN(S(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)ccc2Cl)CC1 220008607 VAAWDEYNSLGPKQ-UHFFFAOYSA-N 433.961 2.475 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1 224988547 ZBBJRQKPDFKTNG-INIZCTEOSA-N 433.530 2.325 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225420918 BWFLVFVGFWWJMJ-INIZCTEOSA-N 435.521 2.063 0 40 IEAB CC1(C(=O)N2CC[C@](O)(CN3CCc4ccccc4C3)C2)CCN(c2ncccn2)CC1 257254390 KCVXLHOKDHNSLT-VWLOTQADSA-N 435.572 2.105 0 40 IEAB Cc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccccc2)c(C)c1 408625487 VJCLGUITUVWNNH-UHFFFAOYSA-N 445.585 2.337 0 40 IEAB O=C([C@@H]1CCCN1C(=O)c1ccccc1OC(F)F)N1CCC(Cn2ccnn2)CC1 511151483 OBNWFMKQDUSFAH-KRWDZBQOSA-N 433.459 2.423 0 40 IEAB CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O 585106601 CPZWSCXEGGLCMU-XUZZJYLKSA-N 425.504 2.225 0 40 IEAB Cc1ccc(-c2ccc(C[C@H]3C(=O)NCCN3C(=O)COCCN3CCCC3=O)cc2)cc1 585168998 IKUPHFFZXHMECS-QHCPKHFHSA-N 449.551 2.171 0 40 IEAB Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@@H]2C1 1888916403 LNTRZHUEEMTTAD-GASCZTMLSA-N 432.937 2.151 0 40 IEAB COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)c(OC)c1 1347625 CRGIESYQWIPGCW-NRFANRHFSA-N 436.516 2.025 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1cccnc1Cl 2619209 YABRDYMBIZQFNV-UHFFFAOYSA-N 446.312 2.427 0 40 IEAB COC(=O)c1sc(NC(=O)CSc2nnc3nc(C)cc(C)n23)c(C(=O)OC)c1C 2621093 WELXEQCFQWWSAF-UHFFFAOYSA-N 449.514 2.415 0 40 IEAB O=C(CSc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)NC[C@@H]1CCCO1 2974160 BCGHHKSNPIEXPJ-ZDUSSCGKSA-N 443.481 2.154 0 40 IEAB O=C(N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc5c(c4)OCO5)n3)CO[C@H]12)c1ccccc1 5413727 QUIGVEHSSJDSDI-MOXQZVSFSA-N 446.463 2.249 0 40 IEAB biogenic,in-vitro CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](O)c1ccccc1 6547818 GFXBVMOCCVTKRE-HOTGVXAUSA-N 428.304 2.393 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)N[C@@H](C)C(=O)O 8790111 QBLHGVZHHUCVBA-VQZRKKFQSA-N 446.500 2.081 0 40 IEAB biogenic Cc1cc(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c(C)n1Cc1ccco1 8900166 HETQQPSGFONKGP-UHFFFAOYSA-N 429.864 2.030 0 40 IEAB Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1[C@@H]1COc2ccccc2O1 9316135 KOULXEKBQQEESO-ZDUSSCGKSA-N 431.499 2.219 0 40 IEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(=O)n(C)n2)c1 9337190 NEYDFJKMOUIDRU-UHFFFAOYSA-N 442.497 2.256 0 40 IEAB CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCCCC3)[nH]c2=O)cc1 9518163 QFRRMSVNYWZDLC-UHFFFAOYSA-N 431.518 2.108 0 40 IEAB O=C(NCCc1ccccc1)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 9743442 VEDIKYJYTWZFSP-HXUWFJFHSA-N 443.569 2.095 0 40 IEAB CC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)ccc2F)cc1 12031413 GNULZUPQBCWLJA-INIZCTEOSA-N 439.486 2.241 0 40 IEAB CC[C@H](C)c1ccc([C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)C)cc1 12627287 AEPSCDNQTDZZKQ-KXBFYZLASA-N 425.533 2.461 0 40 IEAB COc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)[C@H]2Cc3ccccc3CN2)cc1 15967663 SVLBGGTVMQBQQR-NHCUHLMSSA-N 427.570 2.264 0 40 IEAB biogenic CCOc1cc2c(cc1NC(=O)CCNC1=NS(=O)(=O)c3ccccc31)O[C@@H](C)C2 16302912 QAJKOZAQQWGJLA-ZDUSSCGKSA-N 429.498 2.476 0 40 IEAB Cn1cc([C@@H](O)CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c2ccccc21 19290374 ASOHYQMFEMFZPY-NRFANRHFSA-N 435.496 2.496 0 40 IEAB COc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(C(=O)COc2ccc(F)cc2F)C3)c(OC)n1 19594720 MHULFASMCUISBV-BVNGCHBVSA-N 449.454 2.297 0 40 IEAB COc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 23654049 AKPWVTIXCIGAKY-RCDICMHDSA-N 431.489 2.314 0 40 IEAB O=C(NCc1cccnc1N1CCOCC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 32017648 VDLVGKSEUORCNN-CMDGGOBGSA-N 434.540 2.486 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CCCc2nc(C(C)C)no2)CC1 32915822 VQUKMMTWHWLQFI-UHFFFAOYSA-N 439.538 2.044 0 40 IEAB CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 48277830 GEFGEVRAUGRFHK-UHFFFAOYSA-N 432.590 2.287 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](OC[C@@H]1CCCO1)C(C)C 58061174 XHVJTDZFYSOSMH-PXNSSMCTSA-N 440.562 2.175 0 40 IEAB C[C@H](C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1)n1nc2ccccc2n1 72325358 JJKCQGMJQDQRJQ-GYCJOSAFSA-N 446.511 2.326 0 40 IEAB CCN(CC)CCN(CC)C(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326575 MDJFBUDALUJUJT-HOYKHHGWSA-N 443.592 2.130 0 40 IEAB O=C(Cc1ccsc1)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 97137208 WCJMSUMFPHVDPY-LJQANCHMSA-N 437.525 2.138 0 40 IEAB Cc1ccc(C(=O)CC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 100290366 TUOSGQANYJKNDC-UHFFFAOYSA-N 444.509 2.105 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 222601015 YKRLLGCHWLSNAN-QGZVFWFLSA-N 449.548 2.372 0 40 IEAB CS(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc2c(c1)OCO2 223295809 YFLBQZZZBLWZPM-UHFFFAOYSA-N 446.525 2.046 0 40 IEAB CC[C@@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 224861283 BLBHYOPJJIOGQZ-LJQANCHMSA-N 438.571 2.119 0 40 IEAB COc1cc([C@@H]2NC(=O)N[C@](O)(c3ccc(F)cc3)[C@H]2C(=O)C(F)(F)F)ccc1O 252445485 OSUXVINHXSIPRE-VKJFTORMSA-N 428.338 2.487 0 40 IEAB Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H](C)O)CC2=O)cc1 408614610 FFBPHVZGIGKQIE-ROUUACIJSA-N 439.512 2.171 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc3ccccc3c2)cc1C 2650344 VPNDWPBCNHOGFG-UHFFFAOYSA-N 425.510 2.490 0 40 IEAB O=C([C@@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc2O1)N1CCCCC1 8705300 HBJAHCVJRHHCRF-NRFANRHFSA-N 432.480 2.203 0 40 IEAB CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3c(F)cccc3F)c2n1 8793906 UNFZPXMCXFZOEY-UHFFFAOYSA-N 448.499 2.483 0 40 IEAB COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1ccccc1Cl 9194351 FJIZDESKFZLJPC-UHFFFAOYSA-N 431.880 2.412 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 9594812 WKDALELNCCYSQM-NXHRZFHOSA-N 447.557 2.304 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)cc2C1=O 9701194 OXAKQUGVMNQCHB-UHFFFAOYSA-N 438.436 2.317 0 40 IEAB CN(CC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)S(=O)(=O)c1ccc(F)cc1 9709326 VUPKKIVOTZOVMB-UHFFFAOYSA-N 430.465 2.073 0 40 IEAB COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2cccnc21 9830931 HDBAWAZWIXMKKU-UHFFFAOYSA-N 434.427 2.393 0 40 IEAB Cc1cn2c(/C=C/C(=O)O[C@@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)nc2s1 10727267 JKGKSMURPHEVIK-XEHSLEBBSA-N 448.526 2.244 0 40 IEAB C[C@@H]1CN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C[C@@H](C)O1 12232900 KOZMBDJYZSBPMH-IIAWOOMASA-N 425.514 2.255 0 40 IEAB O=C(COc1ccc(Cl)cc1S(=O)(=O)NCCc1cccs1)N1CCOCC1 12374983 AYQJRHGPJXQAPE-UHFFFAOYSA-N 444.962 2.160 0 40 IEAB CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12820919 ORBCTIXBQSOVBL-UHFFFAOYSA-N 427.885 2.420 0 40 IEAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)NCC(N)=O)cc2)cc1 12982130 CFCDWQWMOGJAHP-HXUWFJFHSA-N 445.541 2.216 0 40 IEAB CC[C@H](OC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)cc1 12994106 UYOSZCRQBILZIR-WBMJQRKESA-N 433.461 2.213 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1 13632274 RVWKTTIDCPLTFY-UHFFFAOYSA-N 436.486 2.285 0 40 IEAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 14830972 BRYIGSCOWZKOCA-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB CC(C)Cc1nn2c(=O)cc(COC(=O)CNC(=O)c3ccccc3Cl)nc2s1 15733906 YQQFAYKFKIBOQD-UHFFFAOYSA-N 434.905 2.476 0 40 IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3OC)CC2)cc1 16678231 DJYCSHRCBCZQKH-UHFFFAOYSA-N 447.557 2.111 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 17122409 OIZADHPDLMPEJF-HNNXBMFYSA-N 429.473 2.404 0 40 IEAB Cc1noc(C)c1C(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 18045917 JJMOXKQAHJFCSZ-BETUJISGSA-N 436.486 2.129 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cc(Cl)ccc4OC)[C@H]3C2=O)cc1 18054811 HLTLPJSXYXPNGE-QZTJIDSGSA-N 443.847 2.289 0 40 IEAB CC(=O)N1CCc2c(O)nc([C@H]3CCCN3C(=O)[C@@H](C)Oc3cccc(F)c3)nc2C1 19078745 GZUMASOVXZIVRG-BFUOFWGJSA-N 428.464 2.357 0 40 IEAB O=C(c1ccco1)N1CCN([C@@H](c2ccccc2F)c2nnnn2C[C@@H]2CCCO2)CC1 19347843 HQHGFIXEFFYWIC-JXFKEZNVSA-N 440.479 2.132 0 40 IEAB C[C@@H](CCc1ccccc1)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 19455798 FSWHJMJUDXHUDM-BXKMTCNYSA-N 435.528 2.083 0 40 IEAB COc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NCC(C)C)cc2c1 19824818 LMTASTKVOMQXOH-UHFFFAOYSA-N 432.590 2.201 0 40 IEAB O=C(Cc1ccccc1)NC(NCCCN1CCOCC1)(C(F)(F)F)C(F)(F)F 19939078 KIJCCFNUAQBXAP-UHFFFAOYSA-N 427.389 2.478 0 40 IEAB COc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccccc2)c(OC)c1 20234028 WATMLLSVHJSRGR-QGZVFWFLSA-N 434.514 2.194 0 40 IEAB COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC[C@H]1C 35284175 JLVDBXVFMWOTQJ-CVEARBPZSA-N 438.546 2.426 0 40 IEAB COc1cccc(CC(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)c1 49406064 XNBVWBOOQRUCHF-UHFFFAOYSA-N 437.475 2.379 0 40 IEAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(-n3ncc4c(=O)[nH]cnc43)cc2)C1 58101025 OFSGYNCMYZXXJK-OAHLLOKOSA-N 437.504 2.221 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)C[C@H](C)O1 58195764 IQZRRQKBKBHJSC-KBPBESRZSA-N 449.533 2.175 0 40 IEAB Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CCN(C(=O)NC(C)(C)C)C2 71889504 HYSNWRHQHWEVMV-QGZVFWFLSA-N 440.548 2.351 0 40 IEAB CN(C)CCn1ccc2cc(NC(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C3CC3)ccc21 78720190 XLGQPIHEEJBPAZ-UHFFFAOYSA-N 432.484 2.188 0 40 IEAB COc1nn(C)c2nc(C)c(CCC(=O)N3CCC[C@H](C(=O)NCC4CC4)C3)c(C)c12 84019736 LKRZEFSYGFJHLI-KRWDZBQOSA-N 427.549 2.291 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(C)cc3OC)CC2)cc1 89991179 BXLSMUDFZJILKM-UHFFFAOYSA-N 448.541 2.314 0 40 IEAB CC(C)(C)[C@H](CN1CCc2ccccc2C1)NCC(=O)NCC(C)(C)N1CCOCC1 97164296 FUTLPWPLQGPXBL-QFIPXVFZSA-N 430.637 2.276 0 40 IEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2OC)sc2cc(S(C)(=O)=O)ccc21 100877385 SXYDCKQMDKAOQV-MRCUWXFGSA-N 448.522 2.419 0 40 IEAB C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(Br)cn(C)c2=O)nc1 219987618 VGRKPWHLVRPNAO-ZDUSSCGKSA-N 434.338 2.196 0 40 IEAB Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)CN(C)S(C)(=O)=O)cc1 222893581 ZAFFAADNOUADJI-QGZVFWFLSA-N 449.548 2.059 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 223526065 UJJQONAVOOUGJJ-QGZVFWFLSA-N 447.557 2.015 0 40 IEAB COCCN1C[C@]2(CCN(Cc3ccc4c(c3)OCO4)C2)Oc2ccccc2S1(=O)=O 306133619 MRCNFMLZJGLNPE-JOCHJYFZSA-N 446.525 2.090 0 40 IEAB O=C(O)[C@H]1CCN(S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)C[C@@H]1C(=O)O 547923090 MCSCPHTVJSRUPL-RYUDHWBXSA-N 430.891 2.260 0 40 IEAB Cc1ccccc1N1CCC(O)(CN2CCOC[C@](O)(COc3ccccc3)C2)CC1 585288144 XOAKVKHARQIKPM-VWLOTQADSA-N 426.557 2.469 0 40 IEAB O=C(NCCc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3020271 FFAKBOXDZGUMJX-UHFFFAOYSA-N 426.897 2.473 0 40 IEAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)C)c3cnc4ccccc4c3)n2)o1 4092514 OLXITRJNCLCGMC-UHFFFAOYSA-N 433.472 2.348 0 40 IEAB COc1cc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc(OC)c1 9745392 GQAHWXPGPMQRQX-UHFFFAOYSA-N 432.546 2.042 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NC2CCCCCC2)c1 9807323 XELTYGFEKCKSRB-IBGZPJMESA-N 435.590 2.412 0 40 IEAB Cc1ccc2c(c1)S[C@H](C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C2 10278364 VOPKUPKZPVUFSQ-NRFANRHFSA-N 446.594 2.490 0 40 IEAB CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2ccc3nnc(C)n3n2)CC1 11696278 RRZNYHTVBSHTPB-UHFFFAOYSA-N 444.561 2.466 0 40 IEAB Cc1nc(SC[C@H]2COc3ccccc3O2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 13130457 IAUZHYSPOPTGTF-CQSZACIVSA-N 428.514 2.387 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CSc3ncnc4sccc34)CC2)C1 14023036 XHIHUQJFRORJBS-IYBDPMFKSA-N 447.630 2.432 0 40 IEAB CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)C2=O)cc1 14197457 DHMVSWGOEICGIN-QHCPKHFHSA-N 438.484 2.193 0 40 IEAB C[C@@H]1Cc2cc(C(=O)N3CC[C@@H](c4nc5c(c(=O)[nH]4)CCN(C(=O)C4CC4)C5)C3)ccc2O1 19497903 DOWVPUWNIWEIMQ-RHSMWYFYSA-N 448.523 2.018 0 40 IEAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)c4snnc4C)C3)c2N)cc1 19563432 VYQVKKMGLFDMFC-CYBMUJFWSA-N 426.502 2.358 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCO)cc1Cl 22269349 KREIYWONOUSDMA-GOSISDBHSA-N 440.949 2.127 0 40 IEAB CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O 22330089 WMMWAPPTXKOWPH-HNNXBMFYSA-N 438.571 2.296 0 40 IEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1=O 23055041 XMCPKXQAUASKRP-OAQYLSRUSA-N 449.504 2.312 0 40 IEAB COc1nn(C)c2nc(C)c(CCC(=O)NC[C@@H](CC(C)C)N3CCOCC3)c(C)c12 24824461 SFSGNFVAMSZYOV-GOSISDBHSA-N 431.581 2.389 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1OC 28209435 LHFQKCZMZDSXQQ-SFHVURJKSA-N 446.525 2.051 0 40 IEAB CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1N1CCOCC1 30634385 UXCSMGAVQWQGHD-QFIPXVFZSA-N 449.555 2.399 0 40 IEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 32753078 YWWOSYYNIJHAKT-WOJBJXKFSA-N 441.528 2.412 0 40 IEAB COCCCNC(=O)Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2cc(C)ccc21 33170729 YXRABZQTISOJJZ-UHFFFAOYSA-N 428.510 2.295 0 40 IEAB Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1C 57426948 UZXAULPYSOHTEP-KRWDZBQOSA-N 427.526 2.185 0 40 IEAB O=C(CNC(=O)c1ccc(Br)o1)NCCc1cc(F)cc2c1OCOC2 58364450 FBKCYNHJPXHUHN-UHFFFAOYSA-N 427.226 2.136 0 40 IEAB CN(C)c1ncccc1CN1CCC(c2nnc([C@@H]3CCCCN3S(C)(=O)=O)o2)CC1 72344925 GHHQLNWQIZVINH-SFHVURJKSA-N 448.593 2.397 0 40 IEAB COc1ccc(C(=O)OCCNC(=O)c2ccccc2)nc1I 95456278 XVOUKMHPPGOPKZ-UHFFFAOYSA-N 426.210 2.282 0 40 IEAB COc1ccc(C(=O)N2CCC3(CC2)CN(c2ncccn2)C[C@@]32CCN(C)C2=O)cc1 96262589 ZXVBGPDSXAEEDU-XMMPIXPASA-N 435.528 2.076 0 40 IEAB CS(=O)(=O)c1ccc(CNC[C@H]2Cn3c(-c4ccc5c(c4)OCO5)cnc3CO2)cc1 96296389 LJMRIHPTYJXDPE-KRWDZBQOSA-N 441.509 2.371 0 40 IEAB biogenic,in-vitro COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2ccc(OC)c(CO)c2)C3)c(OC)n1 100149518 VMNAIIQVYVGNFO-QZTJIDSGSA-N 429.517 2.114 0 40 IEAB COCc1cccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 225187539 DIFOSBKVYNPWTH-UHFFFAOYSA-N 448.541 2.434 0 40 IEAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 257217731 DAJJPUNRFBXDDG-HNNXBMFYSA-N 426.912 2.256 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)N3CC[C@@H](c4ccccc4)S(=O)(=O)CC3)CC2=O)c1 390831707 UHEYSVDLVDCUSE-RXVVDRJESA-N 442.537 2.437 0 40 IEAB O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(CNCCc2c[nH]c3ccccc23)C1 585291994 WLHFLNKFOMHOLZ-GGAORHGYSA-N 427.932 2.130 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)N3CCC(N4CC(=O)N(C5CC5)C4=O)CC3)CC2=O)cc1C 618255271 AKXWQWNWOKUBNS-QGZVFWFLSA-N 438.528 2.074 0 40 IEAB C[C@H]1COCCCCC2(CCN(C(=O)Cc3ccccc3)CC2)C(=O)N[C@@H](C)C(=O)N1 643564898 MGQIGVKMGYKBHG-OALUTQOASA-N 429.561 2.048 0 40 IEAB CC(C)(C)c1ccc(OCC2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nn1 1775965737 DGWNGISIAWUTDV-UHFFFAOYSA-N 432.546 2.353 0 40 IEAB CC(C)c1nc(S(=O)(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)cn1C 1888914079 YRRPEFHNABGBKN-HOTGVXAUSA-N 428.562 2.187 0 40 IEAB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 991306 IXUDILSUEIYDOT-UHFFFAOYSA-N 430.511 2.478 0 40 IEAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccc(OC)cc3OC)ccc12 2712398 HWDDRSCNMBTQMH-UHFFFAOYSA-N 426.425 2.209 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)CN2CCCc3ccccc32)c(=O)[nH]c1=O 3537042 FFOYJQHUSGHKPL-UHFFFAOYSA-N 427.549 2.361 0 40 IEAB COCCn1c(SCC(=O)NC(=O)NC(C)C)nc2sc3c(c2c1=O)CCCC3 3549136 HYGPSCYBJYQRIE-UHFFFAOYSA-N 438.575 2.310 0 40 IEAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 6631732 RXUJFEAFPJUUCD-HNNXBMFYSA-N 429.546 2.304 0 40 IEAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@H](C)C(=O)NCCCC(=O)O)c(C)c3cc12 8791833 AVWHAXHQKMLLCM-CQSZACIVSA-N 442.468 2.493 0 40 IEAB biogenic Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)NC1CCCCC1 9302522 QKVZTJWUSSXPMM-UHFFFAOYSA-N 431.518 2.015 0 40 IEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(I)c1 9450712 USVASZVUKUSBBH-UHFFFAOYSA-N 427.242 2.484 0 40 IEAB CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1 9525949 RJBUUFJYXZNUJD-OAHLLOKOSA-N 429.429 2.085 0 40 IEAB Cn1cnc2c1c(=O)n(CCCSc1nnc(-c3c[nH]c4ccccc34)o1)c(=O)n2C 9711803 UFWQCIGNGNQUGM-UHFFFAOYSA-N 437.485 2.147 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 9714874 FMYHCWJMLGQOGB-UHFFFAOYSA-N 430.935 2.470 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@@H]1CCNC(=O)C(=O)NC1CCCC1 9749601 UDFWLPVEXZTUSS-GOSISDBHSA-N 439.553 2.242 0 40 IEAB Cn1c(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)n(Cc3ccccc3)c2n(C)c1=O 11845075 ROYYSHYZACWVCQ-UHFFFAOYSA-N 446.463 2.111 0 40 IEAB O=C(CSc1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12525141 DTHMPYYOKKPYRZ-UHFFFAOYSA-N 430.555 2.329 0 40 IEAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1OC 12526043 UIXRHHMHZQEMEY-TZOMUSMUSA-N 448.453 2.322 0 40 IEAB C[C@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 12640446 WIWUSZDRLNXMGK-YWZLYKJASA-N 439.468 2.183 0 40 IEAB CSCC[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)C(=O)N[C@@H](C)C(=O)O 12885209 DQIMGUJERYDZPT-SJCJKPOMSA-N 426.494 2.339 0 40 IEAB biogenic COc1ccc(OC)c(CN2CCN(C(=O)CCNC(=O)c3ccccc3OC)CC2)c1 12971736 AZMIPIGMVGRMST-UHFFFAOYSA-N 441.528 2.177 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)COc2ncnc3ccc(Br)cc23)c1 13068343 RPSFMEAFQIUHTK-UHFFFAOYSA-N 437.275 2.057 0 40 IEAB CCS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 14400415 VPTUGNUSMAYQBD-UHFFFAOYSA-N 449.504 2.059 0 40 IEAB CCCCN(C(=O)CSc1nnc(SC)s1)c1c(N)n(CCC)c(=O)[nH]c1=O 15276624 HBSLPJWYCHUEBW-UHFFFAOYSA-N 444.608 2.028 0 40 IEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1=O 18230844 IOTLYDROSTYYJS-FQEVSTJZSA-N 428.832 2.136 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ncccc3C)CC2=O)cc1 18231266 ULBZAPLFYIJFPV-INIZCTEOSA-N 430.530 2.412 0 40 IEAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 18277744 LVXCBAFAVYTSIG-UHFFFAOYSA-N 446.500 2.004 0 40 IEAB COc1cccc(OC)c1OCC(=O)N1CCC[C@H]1c1ncc(C(=O)N(C)C)c(C)n1 19756067 CNWOUWOWAFQUMU-INIZCTEOSA-N 428.489 2.247 0 40 IEAB COc1ccccc1CNC(=O)c1ccc(C2CCN(C(=O)c3ccnn3C)CC2)nc1N 19766000 ZMNCSKUJKCMMAO-UHFFFAOYSA-N 448.527 2.356 0 40 IEAB CCOC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1cccs1 20559103 FTNMYXKAHCQETO-LJQANCHMSA-N 427.530 2.136 0 40 IEAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1cccc(Cl)c1 20613987 HBQMJNHUFYSRLW-QGZVFWFLSA-N 431.876 2.197 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1cccc(Br)c1 21010349 WPLDLCOATBQWSJ-AWEZNQCLSA-N 448.364 2.423 0 40 IEAB O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1ccccc1 22908935 ZEFWOEBUIDGHFK-UHFFFAOYSA-N 428.558 2.185 0 40 IEAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1NC(C)=O 23080876 CLKVMFMQTZMTKH-UHFFFAOYSA-N 431.514 2.367 0 40 IEAB C[C@H]1CN(CCNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)C[C@H](C)O1 26367728 JNJQILYXCZLRAT-HOTGVXAUSA-N 442.541 2.087 0 40 IEAB COc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(O)c(OC)c3)[C@@H]2C(=O)C(F)(F)F)cc1 27754052 SOQICRJXVIIMDR-JTDSTZFVSA-N 440.374 2.356 0 40 IEAB CCOC(=O)c1c(NC(=O)COc2ccc(-n3cnnn3)cc2)sc(C(C)=O)c1C 27912909 BPHZGSXDABAFKU-UHFFFAOYSA-N 429.458 2.429 0 40 IEAB CCOC(=O)c1sc2ncn(C[C@H](O)COCc3ccc4c(c3)OCO4)c(=O)c2c1C 32854258 RLVHUSNOYZEKHK-AWEZNQCLSA-N 446.481 2.250 0 40 IEAB O=C(CCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1ccc(F)cc1 32983323 XRXQUVIJFAXEIE-OAQYLSRUSA-N 426.444 2.299 0 40 IEAB CCOC(=O)/C=c1\s/c(=C/c2ccc3c(c2)OCCO3)c(=O)n1Cc1ccc(F)cc1 33463055 RXTSNXMXZLFYNO-STLXZYOISA-N 441.480 2.041 0 40 IEAB CN(C(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 33539804 AGQWVDMCQVCPOC-JGWKKKPCSA-N 428.919 2.022 0 40 IEAB O=C(CSc1nnnn1-c1ccccc1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 78875375 ZEXNKPRDUUSHNA-QGZVFWFLSA-N 445.501 2.237 0 40 IEAB Cc1ccc(-c2noc(CNC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)n2)cc1 219400539 VCWGPRMTNSSKBN-GOSISDBHSA-N 442.497 2.197 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 225568794 HFDZHBGSSJLDNP-UHFFFAOYSA-N 445.541 2.490 0 40 IEAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C3\C(=O)Nc4ccccc43)c2=O)=N1 409043147 ZSQUIZWAJJYBDF-BWHWTHMTSA-N 445.500 2.121 0 40 IEAB CCN1CCN(C(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)CC1 409387516 IWAVGYJNABVCBG-UHFFFAOYSA-N 433.549 2.489 0 40 IEAB COc1cccc(C(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)c1 643564849 JGSGCIYMVNLXBK-SFHVURJKSA-N 445.560 2.129 0 40 IEAB CS(=O)(=O)c1ccccc1C(=O)N1C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888866400 VOCOXKULHBFDID-STQMWFEESA-N 440.447 2.107 0 40 IEAB O=C(O)Cc1ccc(O[C@@H]2CN(CC(=O)Nc3cccc(C(F)(F)F)c3)C[C@H]2O)cc1 2037873624 IKHAAZTWCRWJFR-QZTJIDSGSA-N 438.402 2.395 0 40 IEAB COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)cc1 949259 ZAVPSPFPJKGSAW-UHFFFAOYSA-N 442.453 2.325 0 40 IEAB O=C(CSC(=S)N1CCOCC1)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O 2425638 BFANXKFXQACWJZ-GFCCVEGCSA-N 432.527 2.271 0 40 IEAB Cn1c(=O)c(C(=O)CN2CCC(Cc3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O 3280156 AJJGUASXGVUEGC-UHFFFAOYSA-N 446.551 2.315 0 40 IEAB Cc1cccc(NC(=O)CNC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1C 8624247 OYHKFPSEDSEXBN-DEOSSOPVSA-N 434.496 2.142 0 40 IEAB CCN(C(=O)COC(=O)c1cccnc1Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 8685449 DXDACBMKUJGMNQ-AWEZNQCLSA-N 435.477 2.157 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 8751760 GPRPXZHSCPHJHN-IQGLISFBSA-N 449.507 2.459 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)/C=C/c2cccc(Br)c2)c1 9883443 WLUJVHFOFHERBG-BQYQJAHWSA-N 439.287 2.292 0 40 IEAB CCOc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCC1 9957424 ALGKZTNTKLEBLO-AWEZNQCLSA-N 435.502 2.220 0 40 IEAB Cn1c(=O)n(CCCO)c(=O)c2c1nc1n(-c3ccccc3F)c(-c3ccccc3)cn21 10271937 RKLFKSYNTDQSDU-UHFFFAOYSA-N 433.443 2.327 0 40 IEAB Cc1cc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)no1 11726718 VKLLJXQUHGSKCK-UHFFFAOYSA-N 437.865 2.445 0 40 IEAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCCc1ccccc1F 12004669 DONVCOCIVWUOLS-UHFFFAOYSA-N 442.534 2.285 0 40 IEAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCN(c3ncccn3)CC2)Oc2ccccc21 12185156 UYHFJLMGIQWKSW-CVJORQDNSA-N 433.512 2.080 0 40 IEAB O=C(N[C@@H]1C=CS(=O)(=O)C1)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 12324093 MSOWQGUJNZWOFJ-CYBMUJFWSA-N 449.535 2.138 0 40 IEAB COc1ccc(CN2CCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1F 12948313 LEWDRURXLDZUKF-UHFFFAOYSA-N 446.523 2.123 0 40 IEAB O=C(CCNC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)Nc1ccc2c(c1)OCCO2 13730555 FDCKTKXILIEYON-AOMKIAJQSA-N 439.493 2.173 0 40 IEAB CC1=NN(c2cccc(C(=O)O)c2)[C@@H](O)/C1=C\c1c(C)[nH]n(-c2cccc(C(=O)O)c2)c1=O 13915055 KMFZHXPXAXGWSV-OLROSQPISA-N 448.435 2.468 0 40 IEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 14937160 ZTQWRTYVHHUVDQ-INIZCTEOSA-N 445.541 2.308 0 40 IEAB Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 15107377 VNVRBYWOTVADHP-OAHLLOKOSA-N 434.456 2.010 0 40 IEAB O=C(N[C@H]1CO[C@@H]2[C@@H](n3cc(-c4ccccn4)nn3)CO[C@H]12)c1ccc(C(F)(F)F)cc1 15709264 XYEHZUKBOIOPEI-INDMIFKZSA-N 445.401 2.496 0 40 IEAB biogenic,in-vitro COc1ccc2nc(N(C[C@H]3CCCO3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)sc2c1 16847971 BMLQXXUHKPRBJT-ZBFHGGJFSA-N 439.559 2.241 0 40 IEAB COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 17050465 XSAJLUZFRYSBDY-UHFFFAOYSA-N 432.542 2.478 0 40 IEAB CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)nc2c1CN(C)CC2 19710452 SVAMTEMWWIYWKM-MRXNPFEDSA-N 445.589 2.392 0 40 IEAB CC(=O)N1CCC[C@@H](c2nc(CN(C)CC(=O)Nc3ccccc3F)cc(N(C)C)n2)C1 19752032 BIUSBVJLVSCDGW-QGZVFWFLSA-N 442.539 2.478 0 40 IEAB COC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccccc1 19818041 LNZNCYCIMHBZSR-RBUKOAKNSA-N 426.904 2.478 0 40 IEAB COc1ccc([C@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1OC 20110571 CSVKTIDYMDCJLA-AWEZNQCLSA-N 439.509 2.333 0 40 IEAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N[C@H](C)CN1CCOCC1 22485720 SVSNFYWJYQZKLC-MWLCHTKSSA-N 427.265 2.371 0 40 IEAB C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 22790481 CUBADWAPTSNUEK-SJLPKXTDSA-N 449.983 2.301 0 40 IEAB COc1ccc(CN2CCN(CC(=O)N[C@H](C)c3ccc4c(c3)OCO4)CC2)cc1OC 22920945 QGAIKMITOBDEPH-QGZVFWFLSA-N 441.528 2.428 0 40 IEAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)C1=O 23818657 QIRVZEGTZUFCTG-AREMUKBSSA-N 446.551 2.287 0 40 IEAB CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)C1 25898451 RHUIIZXVSYHZQY-SFHVURJKSA-N 429.542 2.269 0 40 IEAB O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCN(c2nccs2)CC1 27133923 IMEGKJPMHDAOOJ-UHFFFAOYSA-N 448.346 2.354 0 40 IEAB CCOC(=O)C1=C(Cn2cnc3ccccc3c2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 31681274 PVISRLBELHVGAX-FQEVSTJZSA-N 434.452 2.276 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 32776004 GRZZZQUUCODOAY-VBKZILBWSA-N 448.479 2.132 0 40 IEAB Cc1c(Cl)c(NC(=O)c2cnn(C)c2C(=O)Nc2nn(C)c(C)c2Cl)nn1C 36617956 IGVCJOZIYCKHLC-UHFFFAOYSA-N 425.280 2.315 0 40 IEAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1cccc(Cn2cccn2)c1 58053484 NIQHUVYQTGPKES-UHFFFAOYSA-N 425.514 2.445 0 40 IEAB COc1ccc(OC)c(NC(=O)CN2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1 95466705 MIQOQDXFICWAMB-NRFANRHFSA-N 446.935 2.140 0 40 IEAB CC(C)n1cnnc1CCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 95957408 ABKLJADNBPRZBQ-SFHVURJKSA-N 426.521 2.494 0 40 IEAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)Cc4ccccc4)CC3)C2=O)cc1 100219382 WMIWOTHARXDHFV-JOCHJYFZSA-N 435.524 2.494 0 40 IEAB O=C(O)[C@H]1[C@H](C(=O)Nc2cccc(O)c2)[C@H]2O[C@H]1C(Br)=C2Br 100352143 RBSYPJCXJJPQJM-LDDIKCJXSA-N 433.052 2.430 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O 220135927 XDVDPWAXZLVHNT-MRXNPFEDSA-N 433.530 2.164 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCN(c2ccccc2)CC1 224178803 SSAXSNFGZIRCHI-UHFFFAOYSA-N 431.558 2.227 0 40 IEAB COc1cccc(CCCNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1 225839198 QHCUNLSSILLPHX-UHFFFAOYSA-N 432.498 2.268 0 40 IEAB Cc1nc(C(=O)N2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccn2)C3=O)cs1 306138036 RNHHWXWLAZUGSM-WMZHIEFXSA-N 449.536 2.279 0 40 IEAB CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O 408609556 PCZMTXOFZDGYBX-HNNXBMFYSA-N 431.514 2.244 0 40 IEAB CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 514289783 OOHSGZOQMSKFBV-DLBZAZTESA-N 427.467 2.073 0 40 IEAB biogenic,in-vitro Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)sc1C 540210054 QWCOOSNOIQYBHG-UHFFFAOYSA-N 429.589 2.102 0 40 IEAB CCCn1cc(Cl)c(C(=O)NS(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)n1 585272803 OSBNGZCDLCSLGO-SNVBAGLBSA-N 426.882 2.093 0 40 IEAB CC[C@H]1Oc2ccc(S(=O)(=O)NC(=O)c3cn4cc(Cl)ccc4n3)cc2NC1=O 585280877 BAEMBRONKGXZDF-CQSZACIVSA-N 434.861 2.216 0 40 IEAB COc1cccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2)c1 1619364663 XCMZDHWDMJIHFJ-ZBFHGGJFSA-N 439.607 2.286 0 40 IEAB CCc1nnc2ccc(N3C[C@@H]4CN(C(=O)c5cncc(Br)c5)C[C@H]4C3)nn12 1888913624 DTRGSEYIHCLUJU-ZIAGYGMSSA-N 442.321 2.053 0 40 IEAB CCC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 2644749 RZLULJSAUSJKDY-UHFFFAOYSA-N 430.526 2.500 0 40 IEAB COCCN1C(=S)N[C@H](c2ccccc2OC(F)F)C(C(=O)N2CCOCC2)=C1C 3279689 SHTZLPKXWLNYQJ-QGZVFWFLSA-N 441.500 2.298 0 40 IEAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@]23C=C[C@H]1O3 8792467 JVWWLZIATOOHAQ-NMOFPLQQSA-N 428.492 2.204 0 40 IEAB biogenic CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(CC)cc2)c(=O)c3=O)cc1 8849396 MEXADSNTGJFISM-UHFFFAOYSA-N 435.484 2.157 0 40 IEAB O=C(O)c1ccccc1N[C@@H]1SC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 9422360 PBZDWGLJGMLVDZ-OAHLLOKOSA-N 425.422 2.114 0 40 IEAB O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)c(F)cc2c1=O 9723117 XIXNQOUMXGSPQG-IBGZPJMESA-N 429.448 2.001 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(CC(=O)NCc3ccncc3)cs2)cc1 9820511 HQZNLUOMPYXQIB-UHFFFAOYSA-N 445.526 2.156 0 40 IEAB NC(=O)C1CCN(C(=O)CSc2nc3ccccc3c3nc(-c4ccco4)nn23)CC1 9940018 FACMAIPSCSDDLX-UHFFFAOYSA-N 436.497 2.354 0 40 IEAB Cc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)(=O)C3)cc1 10219813 HVPYEUCFTRUDTE-UHFFFAOYSA-N 442.472 2.003 0 40 IEAB COc1ccc(C)c(NS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)c1 11858164 TXIZBONZDBRLDN-UHFFFAOYSA-N 438.527 2.488 0 40 IEAB CN1CC[C@@]2(CCC1=O)CN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccccc1O2 12086701 ZHUHRKGYZLCJCQ-DEOSSOPVSA-N 439.487 2.358 0 40 IEAB CCOCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccc(C)cc1)c(=O)n2C 12231896 SCYQMANJSQGWRW-UHFFFAOYSA-N 436.516 2.092 0 40 IEAB O=C(Nc1nnc(-c2ccno2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12234594 SDISSGDWDROXDI-UHFFFAOYSA-N 437.865 2.417 0 40 IEAB Cc1ccc(-n2c(C)nnc2SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)cc1 12533919 FDXWHQDZBNZPLN-UHFFFAOYSA-N 427.530 2.164 0 40 IEAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 12747013 ZLXPOHTXAFHKTB-UHFFFAOYSA-N 426.395 2.385 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)C1 12793009 ONKWLBMYGSVNKY-BGYRXZFFSA-N 440.588 2.071 0 40 IEAB NS(=O)(=O)c1ccc(CCNc2cc(C(=O)N3CCOCC3)c3ccccc3n2)cc1 13015776 FEYYDJJSJHDKTO-UHFFFAOYSA-N 440.525 2.009 0 40 IEAB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 13096178 SUOPEGKKAQFMBA-UHFFFAOYSA-N 432.546 2.063 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 13572041 OXQSEUVYGVMQOZ-MKRLJBPISA-N 442.946 2.412 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 13580451 PRUWBHMMJGWKIL-UHFFFAOYSA-N 429.542 2.370 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)cc1OC 15780549 ZMQLXFNTZLDYSZ-UHFFFAOYSA-N 426.516 2.353 0 40 IEAB CNc1nc([C@@H]2CCCN2)nc2c1CCN(C(=O)CCCS(=O)(=O)c1ccccc1)C2 19707479 MBYQCXCZDLYZTD-SFHVURJKSA-N 443.573 2.082 0 40 IEAB CCOC(=O)CSCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 21760486 BQCPPCZUILSENC-UHFFFAOYSA-N 426.560 2.047 0 40 IEAB COC(=O)C1CCN([C@H](c2ccc(OC)c(OC)c2)c2sc3ncnn3c2O)CC1 22609362 NOLKBNIQQMRWGS-MRXNPFEDSA-N 432.502 2.488 0 40 IEAB COc1ccc([C@@H](c2sc3ncnn3c2O)N2CCC3(CC2)OCCO3)cc1OC 22609375 UXDZKIDFLMRPPU-INIZCTEOSA-N 432.502 2.442 0 40 IEAB COC(=O)C1=C(CSc2nnnn2C2CC2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 22831535 YTJDBRCVUCWNSY-KRWDZBQOSA-N 426.502 2.456 0 40 IEAB CCc1c(C(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cnn1-c1ccc(OC)nn1 24628359 NMRZERLSKVZXPZ-UHFFFAOYSA-N 436.516 2.200 0 40 IEAB CC(=O)N[C@H](CC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)c1cccs1 26201543 LPBXJWYFAPSYKW-GOSISDBHSA-N 437.587 2.460 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](CC(C)C)N2CCOCC2)cc1 26366042 QOXGWYBPDWNPGA-IBGZPJMESA-N 425.595 2.194 0 40 IEAB O=C([C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 26983960 GMNARIPOJZFRBK-CQSZACIVSA-N 426.844 2.371 0 40 IEAB Cc1nc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)NC(=O)NCc3ccccc3)sc2n1 29214752 UMRBZKPDAQEQOY-NSHDSACASA-N 427.486 2.462 0 40 IEAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058358 HRHMSDBNJRDUJU-RBUKOAKNSA-N 434.489 2.181 0 40 IEAB COc1cc(C[C@@]2(c3ccc(Br)cc3)NC(N)=NC2=O)cc(OC)c1OC 71975066 VESBDZOINVILDB-IBGZPJMESA-N 434.290 2.357 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1Br 72297076 IWBAYEZVLPOHQB-PWSUYJOCSA-N 443.367 2.344 0 40 IEAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)CN(C)C(=O)c1ccco1)c1ccccc1O2 72327765 BZNSYSWQKIYQHI-HXOBKFHXSA-N 425.485 2.373 0 40 IEAB COc1ccc(OC)c(NC(=O)c2cc(S(N)(=O)=O)c(Br)cc2OC)c1 89432840 CPQBMOGPRPKVJB-UHFFFAOYSA-N 445.291 2.375 0 40 IEAB CCOC(=O)CN(CCOC)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 95443203 VEMOWSKVMYDEMX-UHFFFAOYSA-N 434.802 2.316 0 40 IEAB COc1nccnc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 95460445 NQYGOIDYDUDNNX-UHFFFAOYSA-N 438.462 2.226 0 40 IEAB C[C@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCC1)N(C1CC1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CCCCC1 100431085 LIOIFRWOLUNKAC-AMCKJGMUSA-N 441.572 2.197 0 40 IEAB CCc1ccc(N2C(=O)C[C@H](N(O)[C@H]3CC(=O)N(c4ccc(CC)cc4)C3=O)C2=O)cc1 101028340 ABMKAEDAQORVDR-PMACEKPBSA-N 435.480 2.467 0 40 IEAB C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 224578282 KAPLATMRPQGGKC-QGZVFWFLSA-N 449.548 2.129 0 40 IEAB Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)COCCN3CCCC3=O)CCO2)n1 257249243 JHLTXQZWCDBRNU-HXUWFJFHSA-N 439.516 2.068 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1OC 409206617 YKZVGVCZCPAOLQ-UHFFFAOYSA-N 448.541 2.226 0 40 IEAB O=C(Cc1ccccn1)N1CCO[C@]2(C1)C(=O)N(CC1CCOCC1)C[C@H]2c1ccccc1 585106953 LVJCIGDAXAUHOC-OZXSUGGESA-N 449.551 2.274 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3C=C[C@H]2C3)c(S(=O)(=O)N[C@@H]2C[C@H]3C=C[C@H]2C3)c1 606422312 JZOFASPYPMMTJA-KOUJMVCDSA-N 434.583 2.481 0 40 IEAB CC(=O)OC[C@@]1(CC(=O)N2CCOCC2)CCCN1C(=O)/C=C/c1c[nH]c2ccccc12 643587046 QIISUBQJHHPXIL-UROCCOEBSA-N 439.512 2.354 0 40 IEAB O=C1CC[C@@H](c2nc(CNS(=O)(=O)c3ccccc3)no2)N1CCc1ccccc1 1775964218 XESKQIUKTLAVLZ-SFHVURJKSA-N 426.498 2.454 0 40 IEAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)O)n2[C@H](C)COC)c1 2645150 HQRITDPLUROQQL-CYBMUJFWSA-N 442.563 2.360 0 40 IEAB CSCC(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)COc3ccccc3)C1)C2 8300337 ZVWQVVPFKAVFTJ-JKSUJKDBSA-N 427.526 2.175 0 40 IEAB biogenic,in-vitro CCCC(=O)N(c1ccc2c(c1)c(C(=O)OCC)c(C)n2S(C)(=O)=O)S(C)(=O)=O 8753899 AESKAVAIRIVGGY-UHFFFAOYSA-N 444.531 2.027 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(N2CCCCC2)cc1 8826457 NIBCCSCSRMMZCP-UHFFFAOYSA-N 444.557 2.262 0 40 IEAB CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@H](c3ccc4nccnc4c3)C2)c1 9060588 VJDZVBBANIUOAL-IBGZPJMESA-N 445.526 2.112 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)N[C@@H](C)c2ccc(F)cc2)C1=O 9465858 NDRGZCKFQXGDIU-NPMXOYFQSA-N 441.459 2.403 0 40 IEAB O=C(CSc1nnnn1C1CCCCC1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9477764 YTQZDAFTXOQMRP-QGZVFWFLSA-N 435.575 2.491 0 40 IEAB COC(=O)c1ccc(CNC(=O)COC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1 10075073 BSQHLAPGSZRBQI-UHFFFAOYSA-N 444.509 2.313 0 40 IEAB CCn1nnc2cc(C(=O)O[C@@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21 10853984 JBQOXKFBQAOHHW-HNNXBMFYSA-N 448.483 2.433 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCC([C@@H]3CC(=O)c4cc(F)ccc4O3)CC2)CC1 12154169 RUGMFOFGXFZVBN-FQEVSTJZSA-N 438.521 2.070 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 12321896 MMJBJYKRIRKMCQ-IERDGZPVSA-N 435.480 2.430 0 40 IEAB CCCCC1CCC(C(=O)NCCS(=O)(=O)N2CCN(c3ncccn3)CC2)CC1 12444877 WJJWMSLWIPQAKM-UHFFFAOYSA-N 437.610 2.041 0 40 IEAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)CCN1C(=O)c2ccccc2C1=O 12775001 FUBRZDLTDUBFBB-UHFFFAOYSA-N 440.481 2.459 0 40 IEAB COCCNC(=O)CN(C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 12797336 NNDZQWLBQMGKSC-SFHVURJKSA-N 438.484 2.398 0 40 IEAB Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)c(C)c1 12907477 TWEVLMAVGQAINA-UHFFFAOYSA-N 432.546 2.089 0 40 IEAB CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc(Cl)cc1 13120397 XXHTZOMEXOFEAE-INIZCTEOSA-N 436.873 2.451 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCn1c(=O)oc2cc(Cl)ccc21 15718775 NFWMBFKUAXARPN-UHFFFAOYSA-N 449.916 2.478 0 40 IEAB COc1ccc(OC)c(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)c1 16735544 OIPDIYYTPCWJEE-WQRHYEAKSA-N 441.896 2.320 0 40 IEAB O=C(c1ccccc1F)N1CCc2c(nc([C@@H]3CCN(Cc4ccncc4)C3)[nH]c2=O)C1 19347703 RGOARHQOKSGFJC-QGZVFWFLSA-N 433.487 2.492 0 40 IEAB CCN1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)CC1 19646245 YUCKUFSAPRPCOT-UHFFFAOYSA-N 447.557 2.063 0 40 IEAB CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CCN(C(C)=O)C2 19707289 YFPAKCQMULWREZ-LJQANCHMSA-N 447.536 2.396 0 40 IEAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)NCC(=O)Nc1ccccc1Br 21626231 APPLKBIHFKZXSW-UHFFFAOYSA-N 436.306 2.213 0 40 IEAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(Cc2ccccc2)CC1 25390273 WBOKHTWHNRMPKQ-UHFFFAOYSA-N 433.599 2.420 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)CCN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 25405226 KSCWUZIDKCFLHF-OAQYLSRUSA-N 444.553 2.061 0 40 IEAB COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1OC 29265459 CHVTYYYNFZSARP-UHFFFAOYSA-N 448.541 2.305 0 40 IEAB CCOC(=O)C1=C(Cn2cnc3ccsc3c2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 31788394 JQWJPXFYNJAYFT-QGZVFWFLSA-N 440.481 2.338 0 40 IEAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N1CCC(C(N)=O)CC1)C(=O)OC2 62001672 WNOWEEMLIKYHPC-YIXHJXPBSA-N 430.501 2.373 0 40 IEAB biogenic COc1ccc(S(=O)(=O)c2cnc(N3CCC(N4CCCCC4)CC3)nc2N)cc1 67336294 TWNNCTXHDAIJMW-UHFFFAOYSA-N 431.562 2.355 0 40 IEAB Cc1nsc(N2CCCN([C@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)CC2)n1 78947817 RHUDLRPFZSEFHU-MRXNPFEDSA-N 430.578 2.119 0 40 IEAB COc1cc(/C=C2/SC(=O)N(CCNC(=O)[C@H]3CCCO3)C2=O)cc(OC)c1OC 96544310 GPUWSDYSFQVSGZ-KWWJGWKXSA-N 436.486 2.044 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222951650 XWYGUTXRTWMJNT-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)C2)ncn1 257237167 HFKGRCXABBUVPB-LJQANCHMSA-N 434.422 2.441 0 40 IEAB CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCCN(S(=O)(=O)N4CCOCC4)[C@@H]3C[C@H]21 257282188 OSTSGFKUXUNHSM-RWQQGDIJSA-N 438.546 2.051 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)C1 260764038 JLLFBNQXCPTYPW-LBPRGKRZSA-N 429.955 2.315 0 40 IEAB COc1ccc(C(=O)N2CCN(C(=O)c3cnn(-c4ccccc4C)c3N)CC2)cc1OC 545964818 LWWZNDJFHWTTAR-UHFFFAOYSA-N 449.511 2.378 0 40 IEAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)c4ccsc4C)C[C@@H]23)n1 1549162043 MISIUUZLAMRECU-QGZVFWFLSA-N 427.530 2.471 0 40 IEAB CC(=O)Nc1ncc(S(=O)(=O)N2CCOc3cccc(Br)c3C2)s1 1655813041 AMEJAAROLMKHHM-UHFFFAOYSA-N 432.321 2.447 0 40 IEAB COc1ncc(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4ccc(F)cc4F)C3)C2)cc1C 2056226568 VCIKYCQTMZKHHY-OFNKIYASSA-N 447.482 2.353 0 40 IEAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc(NCCO)n2Cc1ccccc1 2180537 FTVRKFCHEUAATM-UHFFFAOYSA-N 439.903 2.051 0 40 IEAB O=C(NC[C@H]1CCCO1)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 9245313 HCXNCGDUODVCCP-OAHLLOKOSA-N 445.472 2.377 0 40 IEAB COc1cc(CC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc(OC)c1OC 9438606 NOTBBMJEQUPMBY-UHFFFAOYSA-N 444.484 2.273 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C1 9639253 HZUWKBRGDCEQFI-OAHLLOKOSA-N 427.478 2.479 0 40 IEAB CC(=O)Nc1cccc(C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 9643823 DGCWLGBCQRTDMA-LJQANCHMSA-N 430.482 2.022 0 40 IEAB Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1 9713238 HPFIUDAPCZJNND-UHFFFAOYSA-N 429.480 2.496 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3C(N)=O)n2)cc1OC 11693371 NCRXMTDKCJIFCK-UHFFFAOYSA-N 436.468 2.445 0 40 IEAB COc1ccccc1CNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1 11845016 CBETZECMBQTTQK-UHFFFAOYSA-N 432.480 2.026 0 40 IEAB Cc1cc(C)n2nc(CC(=O)N[C@H]3C[C@]4(CCC(=O)N(C)CC4)Oc4ccccc43)nc2n1 12086438 FTJOQJLRXNNXKI-MHECFPHRSA-N 448.527 2.305 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)c2n[nH]c3ncccc23)CC1 12088232 FDDNTLZPNHJEKN-GOSISDBHSA-N 427.530 2.030 0 40 IEAB CCOCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(C)cc2)n(C)c1=O 12231718 UVECBPOFKVOGBR-UHFFFAOYSA-N 436.516 2.092 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@](C)(CCC(C)C)C3=O)ccc21 12689387 YKRAHDXCULEKKN-OAQYLSRUSA-N 435.546 2.328 0 40 IEAB C[C@@]1(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)CCS(=O)(=O)C1 14124520 CSKCOBBCXFJODE-QGZVFWFLSA-N 426.589 2.051 0 40 IEAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1 14919219 UWUBXKCBNMHOIL-UHFFFAOYSA-N 426.458 2.448 0 40 IEAB COc1ccccc1OCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(C)C)CC2 19448243 MMJHCOLUNBKJNM-SFHVURJKSA-N 426.517 2.288 0 40 IEAB Cc1nn(C(C)C)cc1S(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19742086 CBMSDAAQACTLJG-MRXNPFEDSA-N 432.550 2.306 0 40 IEAB Cc1nc([C@H]2CCCCN2C(=O)Cn2cccnc2=O)ncc1C(=O)NCc1ccccc1 19764439 LYZADACDIBJDFR-HXUWFJFHSA-N 446.511 2.026 0 40 IEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 19796416 GIPJHTGVQSNOBT-UHFFFAOYSA-N 434.433 2.376 0 40 IEAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cnn1-c1ccccc1 27085823 FSLDLGGEPRTSEQ-UHFFFAOYSA-N 428.489 2.467 0 40 IEAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2nc(CNC(=O)c3ccccc3)no2)C1=O 29394541 ZKIHPZGOCHHVPM-NRFANRHFSA-N 441.394 2.245 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)N1CCc2ccccc2C1 36386803 LWMXFDGSMQONJS-UHFFFAOYSA-N 439.581 2.067 0 40 IEAB CCOc1ccccc1NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O 49409231 AIMPRADERSREMF-UHFFFAOYSA-N 433.530 2.450 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3noc(-c4ccco4)n3)C2)s1 58312490 DQTAZTRIJPPAFQ-ZDUSSCGKSA-N 436.515 2.417 0 40 IEAB COc1ccc(CCNC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1OC 70637943 JEQGJWXBUHHOND-UHFFFAOYSA-N 436.516 2.255 0 40 IEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 101966000 AEJWJRQBYCYZKJ-IYBDPMFKSA-N 440.525 2.413 0 40 IEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222891996 LEEHMRPDRFSVKQ-IBGZPJMESA-N 445.585 2.275 0 40 IEAB O=C(CCCOc1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224462321 KRQQHSDLBWYBHZ-UHFFFAOYSA-N 448.541 2.062 0 40 IEAB CCCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O 248207908 BXVDQRDBKKLZOL-QCBUCWTNSA-N 432.318 2.476 0 40 IEAB CN1CCN(C(=O)C[C@H]2CN(C(=O)Cc3cccnc3)CC[C@@H]2Oc2ccccc2)CC1 257232408 GKSZJGLNMZWQBI-GMAHTHKFSA-N 436.556 2.084 0 40 IEAB COc1ccc(C)cc1N([C@@H](C)C(=O)NC[C@H]1COc2ccccc2O1)S(C)(=O)=O 260910278 XQOSZXHTJPWAQJ-HOTGVXAUSA-N 434.514 2.114 0 40 IEAB Cc1nc(C(=O)N2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccccn2)C3=O)cs1 306138034 RNHHWXWLAZUGSM-AUSIDOKSSA-N 449.536 2.279 0 40 IEAB CCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)O)cc2Br)N(C)C1=S 409031581 HGTGPBKNJONZHO-WZUFQYTHSA-N 429.292 2.341 0 40 IEAB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2CCCN21 504213754 CGRILSBRFQVTJJ-SBSRMGESSA-N 445.475 2.463 0 40 IEAB biogenic O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 543036799 KDMLXVMIPYVNSZ-XIKOKIGWSA-N 436.394 2.391 0 40 IEAB COCC(=O)N[C@H](C(=O)NC[C@@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C)C(C)C 1637687715 BCAUEPMBDUFBBN-QUCCMNQESA-N 435.565 2.368 0 40 IEAB Cc1cccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1 4355512 CEZDECCBKMRHDL-SFHVURJKSA-N 428.489 2.339 0 40 IEAB COCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(c1=O)S[C@@H](C)C2 6530769 VHIDBDDYKFLKHB-LBPRGKRZSA-N 449.554 2.428 0 40 IEAB O=C(NC1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1)c1ccccc1 9053884 PWVBVOWFWTYTHB-UHFFFAOYSA-N 427.526 2.261 0 40 IEAB NC(=O)COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)c2ccco2)cc1 9130573 UIAYFEOAWYWAJN-XXBNENTESA-N 431.404 2.225 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccco1 9450692 CCNKDDNCYCIGEF-WIEQDCTASA-N 441.484 2.209 0 40 IEAB CC[C@H](NC(=O)CNC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1)c1ccc(C)cc1 9671908 YMMCMUIQQGDVEJ-FQEVSTJZSA-N 431.558 2.274 0 40 IEAB CCCCc1ccc(-n2c(C)cn3c4c(=O)n(CC(=O)OCC)c(=O)n(C)c4nc23)cc1 9712988 UZGDRWOJHDOHBW-UHFFFAOYSA-N 437.500 2.353 0 40 IEAB CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)c4cnc5ccccn5c4=O)C3)nn2c1O 12134747 QEWGIAPYUPTVKR-OAHLLOKOSA-N 432.484 2.333 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)CC1 12194749 VITWVXNLYORKCB-UHFFFAOYSA-N 429.926 2.184 0 40 IEAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCN(CC(=O)NC2CC2)CC1 12559736 GMGLUMGKJUEXQH-UHFFFAOYSA-N 447.992 2.349 0 40 IEAB COc1ccc(NC(=O)CS(=O)(=O)CC(=O)Nc2ccc(Br)cc2)cc1 12858981 IZQDCTNFDKAKLL-UHFFFAOYSA-N 441.303 2.450 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCCn2c(C)csc2=O)c1 14239532 JXQZIGSXHMECQL-UHFFFAOYSA-N 427.548 2.373 0 40 IEAB CN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1cnn(Cc2ccccc2)c1 14253517 SBIWPDGBAWUHHE-UHFFFAOYSA-N 437.569 2.409 0 40 IEAB C[C@@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)C(=O)N1CCc2ccccc2C1 16366467 APXXXLFJUUFNRD-CQSZACIVSA-N 427.482 2.472 0 40 IEAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccc3c(c2)OCO3)NC(=O)N[C@@H]1c1ccco1 18225664 PRGZZOIQYCTWHN-CPSHHHPTSA-N 440.408 2.436 0 40 IEAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)CN3CCCC3=O)CC2)on1 19122834 PWJRDZGHPLULLN-UHFFFAOYSA-N 438.532 2.369 0 40 IEAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CC3CCCCC3)[nH]c2=O)C1 19572869 LQZHBRDTSGAUIL-GOSISDBHSA-N 436.578 2.112 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(C)c3C)c(=O)n2[C@@H]1c1cccs1 19636764 DTCJRSHPFCSAFK-GANRHZMWSA-N 442.566 2.210 0 40 IEAB NC(=O)C1CCN(CCC(=O)N2CCO[C@@H](c3ccc(-c4ccccc4F)cn3)C2)CC1 19693562 DVVVJOBDPXTHQK-JOCHJYFZSA-N 440.519 2.375 0 40 IEAB CCN(CC)C(=O)CN1CCC[C@@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 19694669 YRTULNVDJDSGKZ-LJQANCHMSA-N 438.576 2.356 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)Oc2ccccc21 20042436 YHSCEOMWQSVSTO-IBGZPJMESA-N 429.498 2.369 0 40 IEAB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 20614136 ZHIJFPFZEMIBQL-IBGZPJMESA-N 425.485 2.106 0 40 IEAB COc1cc(CNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc(OC)c1OC 22330876 IVYXFPHZIKKCCQ-UHFFFAOYSA-N 442.921 2.448 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc(C)c(CC(N)=O)s3)ccc21 32871355 MMAVSFRNZYTVKJ-UHFFFAOYSA-N 439.584 2.167 0 40 IEAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)N[C@@]1(C)CCS(=O)(=O)C1)OCCO3 32891530 NOXRABLQBYWTMH-AOMKIAJQSA-N 448.585 2.340 0 40 IEAB CC(=O)NCCc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1F 32915349 PGMJOVWSOIEGDT-QFIPXVFZSA-N 429.423 2.293 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OC)c3O[C@H](C)C(=O)O)C2=O)o1 35375262 ZFJACSMDBRDEIM-RLIURORJSA-N 444.396 2.020 0 40 IEAB O=C(CN1CCN(C(=O)C2CC2)CC1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 36384482 GVRSLJKWLVFUFF-UHFFFAOYSA-N 440.466 2.035 0 40 IEAB CCOc1ccc(CCNC(=O)CS(=O)(=O)c2nc3ccccc3[nH]2)cc1OCC 40152112 HPRLUOMDOOWABI-UHFFFAOYSA-N 431.514 2.493 0 40 IEAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)NCc4ccccc4Cl)cnc32)c1 44837150 VJAHMOGMZDYRJM-UHFFFAOYSA-N 438.875 2.015 0 40 IEAB CCCCn1c(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952400 WWRDIQCMVLOMTH-UHFFFAOYSA-N 430.940 2.199 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 57414822 OKVPVRHITWRRQJ-QFIPXVFZSA-N 436.512 2.298 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1 57415110 BZJGYVHSBOIKQB-FQEVSTJZSA-N 441.919 2.338 0 40 IEAB CONS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(Cl)ccc3OC)C2)cc1 58227539 AMTASCNRGMTGKC-HNNXBMFYSA-N 439.921 2.197 0 40 IEAB CCCN1CCN(c2ncc(S(=O)(=O)c3cc(Cl)ccc3OC)c(N)n2)CC1 67336251 QWEGTUQSMGMSLA-UHFFFAOYSA-N 425.942 2.086 0 40 IEAB COC(=O)C1(CNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CCCC1 72307203 DIAJGZUUUAAOAW-UHFFFAOYSA-N 437.562 2.268 0 40 IEAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(CC(=O)N3CCC3)CC2)cc1 72352133 OPKRFBCKJQQPAE-UHFFFAOYSA-N 425.533 2.168 0 40 IEAB CS(=O)(=O)C[C@@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccccc1 78996410 OXDWMDGOENDDBD-MRXNPFEDSA-N 425.466 2.045 0 40 IEAB COc1ccc(N2C[C@H](C(=O)NCCn3c(C)nc4ccc(F)cc4c3=O)CC2=O)cc1 79478688 GLEMFIHCOZCMIS-OAHLLOKOSA-N 438.459 2.022 0 40 IEAB COc1ccc(CN2CCC(NC(=O)CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1OC 79481810 ZHVJNAOYWXEWLY-UHFFFAOYSA-N 443.544 2.104 0 40 IEAB CCOC(=O)N[C@H]1CCCN(CCN2C(=O)COc3ccc(Br)cc32)C1 95995298 JCMILSWZASPPBP-AWEZNQCLSA-N 426.311 2.385 0 40 IEAB O=C(CN1N=N[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21)Nc1ccccc1 102000344 RQSKWQYIQLRYTJ-CVEARBPZSA-N 428.246 2.381 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1 206982820 KXOLSUSZUVJGJJ-UHFFFAOYSA-N 439.559 2.017 0 40 IEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222891933 LEEHMRPDRFSVKQ-LJQANCHMSA-N 445.585 2.275 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 222934628 IZIVVDDQQTUNHJ-VLIAUNLRSA-N 434.514 2.417 0 40 IEAB COCCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 257254953 KFLKLLZLHOZCRO-QGZVFWFLSA-N 426.492 2.408 0 40 IEAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 409198195 ZLXNUURWLSAXFT-IBGZPJMESA-N 445.585 2.487 0 40 IEAB CN(C)CCn1ccc(NC(=O)C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)n1 559845346 MOZPBSWJQUQXJP-INIZCTEOSA-N 449.939 2.623 0 40 IEAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2cc(OC)c(O)c(OC)c2)c1O 1547208782 LZSFFJQQHDXFIK-OAHLLOKOSA-N 435.473 2.317 0 40 IEAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC2(C3)CN(C)C(=O)[C@@H](C)O2)cc1Cl 1888890824 SSEAVVFKHXSJGU-RDBSUJKOSA-N 428.938 2.280 0 40 IEAB COc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c(c2=O)SCC3)cc1 2719866 SIGMUHNPSBJXJV-HNNXBMFYSA-N 433.555 2.277 0 40 IEAB CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC(=O)NC(N)=O)c2)cc1 3510040 WBNKDXKIEOPNPS-UHFFFAOYSA-N 433.486 2.182 0 40 IEAB COc1cc(C2=NN3C(=NC(C)=C(C(N)=O)[C@@H]3c3ccc(F)cc3)N2)cc(OC)c1OC 8589943 PQMNSEXBTSSKCD-SFHVURJKSA-N 439.447 2.289 0 40 IEAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)N1CCN(c2ccccn2)CC1 8686025 OLQANJSNMVMWOL-UHFFFAOYSA-N 434.949 2.482 0 40 IEAB C[C@@H](NC(=O)CNC(=O)CNS(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1 8935882 VZOKJGBPQPAUFK-QGZVFWFLSA-N 439.537 2.253 0 40 IEAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)NCc2ccc(F)cc2)cc1OCC 9373327 WDYZALDKFLPMRW-UHFFFAOYSA-N 432.448 2.213 0 40 IEAB CCn1c(CN2C(=O)NC3(CCCCC3)C2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 9441953 SOMLCVDTGBKORK-UHFFFAOYSA-N 433.534 2.061 0 40 IEAB O=C(Nc1ccccc1N1CCOCC1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 9716736 MQBYVHYIVAEFDL-GOSISDBHSA-N 445.541 2.233 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 9806118 BIKPRNUIBNEMHC-GOSISDBHSA-N 449.960 2.234 0 40 IEAB CCN(c1ccc(OCC(=O)N2CCN(c3ccccc3OC)CC2)cc1)S(C)(=O)=O 10010039 VVUNWJQBWNNSSK-UHFFFAOYSA-N 447.557 2.209 0 40 IEAB Cc1cccc(-n2nc3c(c2NC(=O)C(=O)N[C@@H](C)c2ccccc2)CS(=O)(=O)C3)c1 10250551 DAYSJVMBHWKBLJ-HNNXBMFYSA-N 438.509 2.425 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@H](n4nnc5cc(F)ccc54)C3)ccc21 12184844 WNSZHPUTFCWMDL-KRWDZBQOSA-N 443.504 2.370 0 40 IEAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc(C(N)=O)cc4)c(=O)c32)c(C)c1 12228730 WYAWGISXIBDHJW-UHFFFAOYSA-N 430.468 2.245 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(-c3cccnc3)nn2)CC1 12443488 SNCPPQQBFSBCKW-UHFFFAOYSA-N 429.477 2.197 0 40 IEAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 12557008 AQWIEWSWIARLBP-UHFFFAOYSA-N 435.321 2.296 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)NCCN2CCCCCC2)S(C)(=O)=O)cc1Cl 13680788 GNIUZCHEANDQSR-HNNXBMFYSA-N 431.986 2.495 0 40 IEAB Cn1c(=O)c2c(ncn2CC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)n(C)c1=O 15224654 SCGPYNPWXFLCOC-UHFFFAOYSA-N 427.464 2.475 0 40 IEAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@@](C)(c3cc(F)ccc3F)C1=O)OCO2 16048340 AVZYNVSGUGZPQC-NRFANRHFSA-N 445.378 2.302 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1 17243171 ZVRHMMIWBCGFEL-XYSGSMRZSA-N 436.489 2.122 0 40 IEAB O=S1(=O)CC[C@@H](N(Cc2cccs2)S(=O)(=O)c2cccc3nsnc23)C1 19079160 WFVYSYGNEWBPMC-LLVKDONJSA-N 429.570 2.131 0 40 IEAB Cc1cc(C)n(-c2nc(N3CCN(CCO)CC3)c3c4c(sc3n2)COC(C)(C)C4)n1 20502936 CKKZYHYIMKUUSU-UHFFFAOYSA-N 442.589 2.459 0 40 IEAB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN([C@@H]1C=CS(=O)(=O)C1)CO3 20624742 RTNRTHAPVVPUNQ-CQSZACIVSA-N 433.482 2.060 0 40 IEAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 22233463 VBCFWNPRLNPLLT-LJQANCHMSA-N 436.505 2.466 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCOC)cc1C 22268140 GNMOGFUEIGGPJX-FQEVSTJZSA-N 434.558 2.436 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSC1CCCC1 25247934 UBHGTGSBZLKUDC-UHFFFAOYSA-N 428.576 2.122 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1 32741477 JQLITPJQSPTQJA-UHFFFAOYSA-N 428.514 2.374 0 40 IEAB O=C(NC[C@H]1CCN(C2CC2)C1)c1cc(S(=O)(=O)NC2CC2)ccc1Br 32912044 GQYCKMPWTRRWKD-GFCCVEGCSA-N 442.379 2.104 0 40 IEAB O=C1CN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)CCN1 33010901 SBIXRWRGLCNLMP-UHFFFAOYSA-N 436.537 2.409 0 40 IEAB CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nccn2-c2cccc(F)c2)CC1 36386380 GAZJSUDPAIIAQZ-UHFFFAOYSA-N 433.553 2.162 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2)cc1)c1ccccc1F 44872669 GRMGXKLSFXQMQA-UHFFFAOYSA-N 448.564 2.351 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1c1ccccc1Cl 57414993 DLRFOLQYGVKTPE-FQEVSTJZSA-N 441.919 2.338 0 40 IEAB CCOCc1nnc(NC(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)s1 72327587 SUOVMABKNHPLKM-OAQYLSRUSA-N 444.513 2.430 0 40 IEAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(S(=O)(=O)N2CCOCC2)C1 72352234 KEHOFBRSYRXKSD-OAHLLOKOSA-N 437.587 2.406 0 40 IEAB Cc1nnnn1-c1cc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)ccc1F 79019671 OYMQYZKHUBRBMR-UHFFFAOYSA-N 439.495 2.388 0 40 IEAB Cn1cc(Br)cc(NS(=O)(=O)c2cc(C(=O)O)cc3c2CCC3)c1=O 79047523 ZVEFICHUBKLCQJ-UHFFFAOYSA-N 427.276 2.136 0 40 IEAB CCOC(=O)[C@]1(C)CCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O 89978153 JXAYPGGQEXMVTI-IBGZPJMESA-N 436.306 2.493 0 40 IEAB CCS(=O)(=O)[C@@](Br)(I)[C@H](O)c1cccc(N)c1 96521113 ZDNSKSULELYKPY-ZJUUUORDSA-N 434.093 2.221 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2OC)cc1 113937900 COZSCFNJOOHHDP-UHFFFAOYSA-N 447.557 2.110 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)cc1N1C(=O)CCC1=O 223549180 APRBCZOHCFXUJT-UHFFFAOYSA-N 443.481 2.276 0 40 IEAB Cc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)cc1N(C)S(C)(=O)=O 224750175 JLAFMWXZHJEJGO-UHFFFAOYSA-N 431.558 2.153 0 40 IEAB CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1 226069039 FLEAZABJVBPIEF-UHFFFAOYSA-N 438.477 2.199 0 40 IEAB CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408548487 SQDKXRURSJVVFI-UHFFFAOYSA-N 447.513 2.206 0 40 IEAB CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(C)C2=O)cc1OCC 409189398 KOQMZQDNZSNGHL-KPKJPENVSA-N 427.251 2.312 0 40 IEAB CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)CC1 409381813 WKKKDEFVXSNWLE-UHFFFAOYSA-N 440.562 2.110 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2nccnc2-c2ccsc2)cc1 575620820 VPOBALNQWXQOMG-UHFFFAOYSA-N 428.495 2.337 0 40 IEAB O=C1CC[C@H](c2cccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)c2)N1 1536381701 ODRLDPYFYZNKLZ-HXUWFJFHSA-N 427.526 2.120 0 40 IEAB Cc1ccc2c(COn3nnc4ccc(S(=O)(=O)N(C)C)cc43)cc(=O)oc2c1C 2645540 PPXUJBXRJOJKDM-UHFFFAOYSA-N 428.470 2.034 0 40 IEAB COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c1 2723481 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0 40 IEAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9467072 RROJFLCOHQODTH-BWAMLYQTSA-N 444.491 2.396 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)Nc1cccc(F)c1 9660635 BRPSATIKHQSSEO-UHFFFAOYSA-N 448.410 2.113 0 40 IEAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)OCC(=O)c1ccc2c(c1)CCC2 9672157 NKYCDGXZZVKAFL-UHFFFAOYSA-N 426.494 2.496 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1 12115956 YSFFHCWQIMRZLS-VKBFCKQYSA-N 433.512 2.209 0 40 IEAB Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1 12602094 RYNAMFLNIVKKOC-SXLOBPIMSA-N 427.524 2.446 0 40 IEAB biogenic,in-vitro O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12794561 QZKPOKBARWZWGU-QGZVFWFLSA-N 441.509 2.250 0 40 IEAB CC[C@]1(C)NC(=O)N(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1=O 13098939 MMVXBPOUQSBUIX-KRWDZBQOSA-N 447.845 2.123 0 40 IEAB CCN(c1ccc(OCC(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 13585387 JXYJFCOYCGDPMM-UHFFFAOYSA-N 431.558 2.363 0 40 IEAB CCN(c1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1)S(C)(=O)=O 13682555 UDRDZNDPPKVROL-UHFFFAOYSA-N 434.470 2.298 0 40 IEAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)N1CCN(CC(=O)NC2CC2)CC1 14168054 GFFSQDJGRHVJRX-MDZDMXLPSA-N 441.963 2.329 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3c3ccc4c(c3)OCCO4)nc2)CC1 15130170 KPPDBNSUTWPQIR-LJQANCHMSA-N 444.557 2.130 0 40 IEAB O=C(CN(C(=O)[C@@H]1CSC(=O)C1)c1cccc(F)c1)NCc1ccc2c(c1)OCO2 15935649 FCLIUEKMJOVVFY-AWEZNQCLSA-N 430.457 2.484 0 40 IEAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)[C@@H]4CCCO4)C3)n2)CC1 19085278 NRXVYWWWDLLPKQ-HKUYNNGSSA-N 430.549 2.429 0 40 IEAB Cc1cc2nc(C)c(CCC(=O)N3CCN(C)C(=O)[C@@H](Cc4ccccn4)C3)c(C)n2n1 19696822 LXZQFTMNZAECOO-IBGZPJMESA-N 434.544 2.142 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CCc1cccc(C)c1)C(=O)C2 19739612 GBWUUWGULGTKAO-NRFANRHFSA-N 449.555 2.415 0 40 IEAB COc1cccc(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(OC)c4)C3)CC2)c1 20739941 OGQXFIGRBKZLBS-GOSISDBHSA-N 437.496 2.041 0 40 IEAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)NC1CCCCC1 22228187 IQBXEPFFRJGNDZ-UHFFFAOYSA-N 435.590 2.405 0 40 IEAB CN1CCN(CCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 22933945 UUEZSABQAWYFNS-HSZRJFAPSA-N 442.585 2.421 0 40 IEAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 23120938 IBQXOZSRUYDZDB-OAQYLSRUSA-N 445.907 2.036 0 40 IEAB CCN(C(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 33545192 DCJJDKOQSWBMFL-AHSSXEFNSA-N 442.946 2.412 0 40 IEAB CCOC(=O)C1=C(CSc2ncnc3c2cnn3C)NC(=O)N[C@@H]1c1ccc(C)o1 36397062 RGACDEJZCCMTDE-OAHLLOKOSA-N 428.474 2.228 0 40 IEAB COc1ccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1S(=O)(=O)NC(C)C 40146204 DCNVJSOKLLSKOJ-SFHVURJKSA-N 445.541 2.085 0 40 IEAB CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NCC23CC4CC(CC(C4)C2)C3)cc1 55104117 UQVFMWCAQUAELB-UHFFFAOYSA-N 427.592 2.400 0 40 IEAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3nccn3C)nc21 72380232 JAPPXXIXWXXCKD-UHFFFAOYSA-N 448.527 2.457 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](c2nn(C)c(=O)n2-c2ccccc2)C1 77100622 IWVNHBUDFXPOBE-KRWDZBQOSA-N 442.541 2.456 0 40 IEAB COc1ccc(/C=C/C(=O)NCCc2ccc(F)cc2)cc1S(=O)(=O)N1CCOCC1 89466004 VVZGUNFABYARMJ-WEVVVXLNSA-N 448.516 2.227 0 40 IEAB COC[C@H](O)CN1CCC(NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)CC1 95445010 WXGWDSHPHQFXMU-HXUWFJFHSA-N 432.590 2.169 0 40 IEAB O=S(=O)(c1ccc(OCCN2CC=C(c3cncc(F)c3)CC2)cc1)N1CCOCC1 95454762 QOOOIDVIOBLHJC-UHFFFAOYSA-N 447.532 2.410 0 40 IEAB O[C@@H](CNc1nccnc1NC[C@H](O)COc1ccc(F)cc1)COc1ccc(F)cc1 95467697 LQILZNIGRVPLOX-ROUUACIJSA-N 446.454 2.458 0 40 IEAB CCn1c(=O)oc2cc(S(=O)(=O)NCCSc3nc(-c4ccccc4)n[nH]3)ccc21 223032149 REUWHFIBLXFIMN-UHFFFAOYSA-N 445.526 2.470 0 40 IEAB COc1cccc(OCCNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)c1 224739578 UMHJSAIVOLKXAW-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB Cc1n[nH]c(SCCNC(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)n1 225851086 IKIUDXQDQKCYFQ-UHFFFAOYSA-N 425.561 2.246 0 40 IEAB COc1cccc([C@]2(O)CC[C@H]3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)C[C@H]32)c1 248017843 GRCFXNHQAJBXPL-URKNILKWSA-N 425.938 2.309 0 40 IEAB O=C(CO[C@H]1CSC2(C1)CN(C(=O)Cc1ccc3c(c1)CCCO3)C2)N1CCCC1 575403691 JYJOOXJGLVRSQJ-LJQANCHMSA-N 430.570 2.280 0 40 IEAB COc1nc(CNC(=O)C2c3ccccc3Oc3ccccc32)nc(N2CCOCC2)n1 575608633 WLKQZDGRGZXTIN-UHFFFAOYSA-N 433.468 2.271 0 40 IEAB Cc1cccc(C(=O)N2CC[C@@]3(C2)c2cccn2-c2ncccc2N3CC(=O)N(C)C)n1 585107046 OYDSYKITNLHONR-XMMPIXPASA-N 430.512 2.225 0 40 IEAB CSc1nc(C2CCOCC2)cc(N2CCN(c3ncnc4ncn(C)c34)CC2)n1 1888909644 UECOGOVNXMMGEO-UHFFFAOYSA-N 426.550 2.096 0 40 IEAB Cc1cc2ncn(S(=O)(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)c2cc1C 1330471 NVUPFFBVAPZXEX-MRXNPFEDSA-N 449.554 2.347 0 40 IEAB COc1ccc2c(c1)c(Cc1c(O)n(C)c(=O)n(C)c1=O)cn2C(=O)c1cccs1 1395469 RQWQJNVXTKNFHV-UHFFFAOYSA-N 425.466 2.094 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2c(C)[nH]c3ccccc23)cc1 3304760 GQURTWTWQMEFNW-UHFFFAOYSA-N 443.481 2.139 0 40 IEAB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)NCc1ccc2c(c1)OCO2 8709482 SDSOQRKGGHYYHY-JOCHJYFZSA-N 437.496 2.312 0 40 IEAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(NC(C)=O)cc3)CC2=O)cc1 9036025 RGSBXQRQWXHXHA-INIZCTEOSA-N 431.514 2.375 0 40 IEAB O=C1O[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)Cc2ccccc21 9469384 KORMZFNUTSTFRI-JOCHJYFZSA-N 437.496 2.080 0 40 IEAB O=C([C@@H]1CN(C(=O)Cc2ccc(N3CCCC3=O)cc2)c2ccccc2O1)N1CCOCC1 9580026 SNCRJNJMILOYDU-QFIPXVFZSA-N 449.507 2.009 0 40 IEAB CCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc23)CC1 9714539 DUPNAVWNPKUVJN-UHFFFAOYSA-N 432.528 2.157 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(C)cc2C)cc1 10283237 IBTODOBYXRTCFG-UHFFFAOYSA-N 429.542 2.108 0 40 IEAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C 11858334 HLPVYGMSDRWUBM-UHFFFAOYSA-N 438.527 2.488 0 40 IEAB CC1(C)C(=O)NCCN1C(=O)CCC(=O)N1CCC[C@@H](c2nc3ccccc3cc2N)C1 12088021 POLMNLQEUAUBQC-QGZVFWFLSA-N 437.544 2.040 0 40 IEAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)cn1 12600622 VYHFDERHTMFHTN-UHFFFAOYSA-N 446.529 2.454 0 40 IEAB Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1C 12792217 PFYBVLQPOVDKOA-AAEUAGOBSA-N 444.575 2.198 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)C1 12793167 MCBSXYSHSIAEJL-INIZCTEOSA-N 440.525 2.456 0 40 IEAB Cc1ccc(N(Cc2ccc(C(=O)N3CCN(C=O)CC3)cc2)S(C)(=O)=O)cc1C 13668987 ZJVSQMCFPVQDHL-UHFFFAOYSA-N 429.542 2.184 0 40 IEAB COC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 13676131 YMSSPHHVIOKNEL-UHFFFAOYSA-N 434.489 2.433 0 40 IEAB CN(Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1)S(C)(=O)=O 14399735 GEPHZNGFNDLDEB-UHFFFAOYSA-N 445.541 2.332 0 40 IEAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 16485831 RWPPWFPLOYBBDZ-UHFFFAOYSA-N 440.485 2.491 0 40 IEAB Cc1cccc2nc(C(=O)OCC(=O)NCC(=O)Nc3ccccc3Br)cn12 19050765 RGLIKMPRXMHARJ-UHFFFAOYSA-N 445.273 2.317 0 40 IEAB COc1ccc(C(=O)N2CCC(c3ncc(C(N)=O)c(C)n3)CC2)cc1Cn1cccn1 19766616 UVBYJMPFXMQUOU-UHFFFAOYSA-N 434.500 2.157 0 40 IEAB CCOC(=O)c1ccc(-n2nnnc2[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20111411 FUYJFLPFIHTCKS-SFHVURJKSA-N 437.456 2.154 0 40 IEAB biogenic Cn1c(=O)n(C)c2cc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)ccc21 24606159 SAIZCYKBPQECTG-UHFFFAOYSA-N 442.541 2.058 0 40 IEAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1cccnc1N1CCOCC1 32017704 RUXDANGQAQALAO-UHFFFAOYSA-N 447.333 2.117 0 40 IEAB CC(C)(C)c1nc(CN2CCN(C(=O)Cn3nc(O)c4ccccc4c3=O)CC2)cs1 32936083 FNUZUGRREDMSHG-UHFFFAOYSA-N 441.557 2.201 0 40 IEAB CCCn1c(=O)c2sccc2n(CC(=O)Nc2cc3c(cc2C(C)=O)OCO3)c1=O 57485896 IYKJVLQPTULLPE-UHFFFAOYSA-N 429.454 2.205 0 40 IEAB CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1 67896956 JFZFZODQVXXFQG-IFMALSPDSA-N 428.485 2.245 0 40 IEAB biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-n2cccn2)nn1 70641176 GURRHZUJFNODKL-UHFFFAOYSA-N 427.471 2.172 0 40 IEAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(N2CCNC2=O)c(F)cc1F 72297098 WKCBGKURCSURLB-FQEVSTJZSA-N 430.455 2.298 0 40 IEAB CS(=O)(=O)c1ccc(CC(=O)N2Cc3ccccc3OC[C@@H]2Cn2ccnc2)cc1 72394832 JGIMWTFRUHPUHU-IBGZPJMESA-N 425.510 2.319 0 40 IEAB O=C(C[C@H](CN1CCN(c2ncccn2)CC1)C(=O)O)Nc1cccc(C(F)(F)F)c1 72403078 LYARLEMGHWBVHG-CQSZACIVSA-N 437.422 2.347 0 40 IEAB COC(=O)COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)OC)cc1OC 85874896 CHZQNUDYMAFKJG-GHTZIAJQSA-N 440.404 2.419 0 40 IEAB biogenic Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)no1 96010163 BQLPIYDNWGGSFG-YVEFUNNKSA-N 436.921 2.396 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222524593 BGHXMQCHSNLLNT-BHYGNILZSA-N 431.920 2.144 0 40 IEAB COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)s2)cc1 225685771 CXVMVORHASBXJU-UHFFFAOYSA-N 425.513 2.418 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3CCC[C@@H](C)[C@H]3C)CC1)O2 247967110 SRDVQFBPUYEVML-HOZJOUCCSA-N 443.544 2.216 0 40 IEAB Cc1n[nH]c(C)c1CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257246902 IWKCNDSOSGFXLW-SONWIMMPSA-N 440.588 2.259 0 40 IEAB CN(C)S(=O)(=O)c1ccc(F)c(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 257339308 ZBERLEUKOWAVJE-UHFFFAOYSA-N 442.534 2.492 0 40 IEAB CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 408587324 BLNJWLNBSQTDPX-UHFFFAOYSA-N 438.933 2.398 0 40 IEAB COc1ncc(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cc1C 585102146 CJYSFMQVJYINQR-OFNKIYASSA-N 447.482 2.353 0 40 IEAB CC(C)(C)N1CCC(O)(CN2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)CC1 585287565 OOVZEKGNKVOCKE-UGKGYDQZSA-N 444.975 2.281 0 40 IEAB COc1ccc(CN2[C@@H]3CN(C(=O)Nc4ccccc4)C[C@@H]3OCCS2(=O)=O)cc1 1534639892 OFLLQGGOAVFRQI-UXHICEINSA-N 431.514 2.142 0 40 IEAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)nn1 1888856523 NSHKDAFDKUFNBL-DLBZAZTESA-N 430.549 2.029 0 40 IEAB Cc1nc(N2CCCC2)cc(N2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)n1 2087146405 RXCZGUPZYACTLX-UHFFFAOYSA-N 434.544 2.194 0 40 IEAB C[C@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)Nc1ccc(Br)cc1 9032548 SYOZAYUZSATPLH-NSHDSACASA-N 446.257 2.435 0 40 IEAB Cn1c(NCc2ccccn2)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C 9246238 FPXFRAFBAXBXRH-UHFFFAOYSA-N 428.855 2.282 0 40 IEAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n(C)c3nc2n1CCCO 9418825 AFRMDWFPMJLGAH-UHFFFAOYSA-N 436.299 2.195 0 40 IEAB O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)c1ccc[nH]1 9507869 JXPBFRLOYIDAMW-UHFFFAOYSA-N 434.499 2.061 0 40 IEAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)cn23)n(C)c1=O 9829423 HUMQEUUPMNQFNC-UHFFFAOYSA-N 443.891 2.362 0 40 IEAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccccc2)CC1 10030393 VGZJYOBCBFYMSR-OAQYLSRUSA-N 427.570 2.478 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)CC1 10188112 RMQMOQQDAFKYLH-UHFFFAOYSA-N 438.459 2.498 0 40 IEAB COCCNC(=O)[C@@H](c1ccco1)N(C(=O)C(=O)NC1CCCC1)c1ccc(F)cc1 12640753 FENLMNBKNAYODQ-LJQANCHMSA-N 431.464 2.314 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2cccc(F)c2)C1=O 12904992 QMHXZLUCQZKBOR-QFIPXVFZSA-N 426.448 2.080 0 40 IEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)N1CCN(Cc2nc3ccccc3s2)CC1 13116919 WLQAEFZINLYZBB-IAGOWNOFSA-N 438.553 2.282 0 40 IEAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccc(F)cc2)ccc1F 13371859 OKRZJFSCYJHARA-OALUTQOASA-N 429.510 2.045 0 40 IEAB CC[C@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 13573740 KLXSEWYZOJWNMM-KXBZBNQCSA-N 432.318 2.474 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)ccc21 13610345 PZDNYCRXBJCHFI-UHFFFAOYSA-N 448.497 2.455 0 40 IEAB COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1 14406184 BFYISXMJSXCEHY-IBGZPJMESA-N 446.504 2.003 0 40 IEAB COc1c(Br)c([C@@H]2ON=C(C(N)=O)[C@H]2C)c(Br)c2c1OCO2 15084105 ASNKBXGQJLOCGS-ALFREKQPSA-N 436.056 2.498 0 40 IEAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(OC)nc3)c2)CC1 15617182 HRAOALUSOYQKQD-UHFFFAOYSA-N 438.937 2.322 0 40 IEAB COc1ccccc1-n1cnnc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCO2 16684085 LWDZUHFECPYASJ-UHFFFAOYSA-N 427.442 2.445 0 40 IEAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 18120804 XEMYGZGGKMSRJY-LRGNLBRXSA-N 445.431 2.021 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@@H](C)C(=O)Nc3nncs3)CC1)CC2=O 19080778 SPJMMVATZIBTPH-YUNKPMOVSA-N 430.486 2.290 0 40 IEAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 19122809 SXPGOMZHHOILTF-IBGZPJMESA-N 440.548 2.077 0 40 IEAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337542 NYHNXQZDKLWEBU-QGZVFWFLSA-N 435.509 2.402 0 40 IEAB CCn1nccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19524160 HNEUBZZRLSKGQF-GOSISDBHSA-N 438.532 2.039 0 40 IEAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)Cn4cncn4)CCN(C)C3=O)cc2)cc1 19589384 RBMDZSRNRJMCKD-NRFANRHFSA-N 433.512 2.113 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)CC2 19696020 MBBLADQVKANYDC-OAQYLSRUSA-N 449.555 2.497 0 40 IEAB CC(C)c1n[nH]c(CC(=O)N2CCO[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)n1 19702759 NFWZHIHFAAXNPQ-AWEZNQCLSA-N 442.545 2.382 0 40 IEAB O=C(NCCCN1CCCC1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 22518991 PWMQSOUNDIDWIW-UHFFFAOYSA-N 427.998 2.484 0 40 IEAB COc1ccc2c(c1)CCCN2C(=O)CN1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 22848507 XZVLLVYAPFWHLH-WOJBJXKFSA-N 442.604 2.097 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1OCC 25608237 SIYXXJBSMNMFDO-VFNWGFHPSA-N 435.546 2.335 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2ccc(OCc3c(C)noc3C)cc2)NC(=O)NC1 26459098 HILIZPOPHGJMKQ-UHFFFAOYSA-N 429.429 2.157 0 40 IEAB NC(=O)CSc1ccccc1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 29160253 MPPVTVOBLQEFTI-UHFFFAOYSA-N 426.586 2.202 0 40 IEAB O=C(CCn1cnc2ccccc2c1=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 40051616 XWLXWSCBBCOVIN-UHFFFAOYSA-N 432.402 2.352 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCCC[C@H]3C)CC1)NC2=O 72327503 BWWVXQTZMWKGBK-SYJLOODJSA-N 429.517 2.316 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc(OC)cc3OC)C2=O)cc1 96115320 QYVIRNOKKIUIPU-SFHVURJKSA-N 427.457 2.204 0 40 IEAB biogenic O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96124001 NQMSSLNRILMWRN-FQEVSTJZSA-N 446.559 2.055 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)CC[C@@H]1NC(=O)N(Cc3ccccc3)C1=O)CC2 96220952 UMSWYBGFQAHDBW-IBGZPJMESA-N 437.496 2.489 0 40 IEAB biogenic CC(C)(C)NC(=O)[C@H]1N(C2CCCC2)C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@]3(C)C=C[C@@]12O3 100430795 HYAMMVAHJFRONE-NDPZIEMXSA-N 443.588 2.443 0 40 IEAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)O)CC1 100772096 JUZONQPLLGKSSF-JONQDZQNSA-N 427.542 2.048 0 40 IEAB COC(=O)Cn1/c(=N\C(=O)c2cc(OC)ccc2OC)sc2cc3c(cc21)OCO3 101027032 WCNYDPDDRDINRF-QZQOTICOSA-N 430.438 2.363 0 40 IEAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C(=O)N1Cc1cccc(Cl)c1 225440411 CCLHYOMOUGUTKZ-QUCCMNQESA-N 443.906 2.038 0 40 IEAB biogenic,in-vitro C[C@@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225907720 BZXSPPXXXLKOLE-ZACQAIPSSA-N 434.610 2.261 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCO)cc2)cc1Cl 408552658 MNVMCHLWKCFTKA-UHFFFAOYSA-N 428.894 2.027 0 40 IEAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2CCCN21 504491896 GYKFICCLCYUNRY-VUYBDXIFSA-N 431.448 2.155 0 40 IEAB biogenic COc1cccc(/C=c2\sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)c1 2447953 FLSSKIGHDTYKON-MFOYZWKCSA-N 425.466 2.400 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)CC1 4436490 YUOWQHRQLLAMSF-UHFFFAOYSA-N 436.490 2.147 0 40 IEAB O=C(NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1)N[C@H]1CCC(=O)N1Cc1ccccc1 5760278 JFEHGYSSVPBCPA-VQTJNVASSA-N 434.496 2.152 0 40 IEAB CNC(=S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6198720 OFLDRQIWJJSTOH-UHFFFAOYSA-N 425.466 2.492 0 40 IEAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1=O 8850122 ZLEKIEWXISQUTR-HXUWFJFHSA-N 442.838 2.466 0 40 IEAB Cc1ccc(C)c(-c2nn(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(=O)c3ccccc23)c1 9477335 NFSOBHIONWHANE-KRWDZBQOSA-N 439.537 2.326 0 40 IEAB C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 9789280 GODVWUMJCDMUQP-MYYSRTQBSA-N 435.480 2.419 0 40 IEAB CCCc1nc(SCC(=O)Nc2ccc(OCC)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 11758094 HXBKUPOGFYXRMR-UHFFFAOYSA-N 443.529 2.109 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)NC3CCC(C)CC3)CC1)O2 12087109 ZROHBCOXBLBDGU-XSVIMGFGSA-N 443.544 2.264 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1nc2nc(C)cc(C)n2n1 12541147 XOWGATNHBDJKNB-UHFFFAOYSA-N 444.517 2.177 0 40 IEAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12618409 VAYXVCQEUWLMJB-UHFFFAOYSA-N 442.589 2.112 0 40 IEAB COc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1 12870608 DQLCAPQNCOBXCT-UHFFFAOYSA-N 430.526 2.178 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@@H]3OCCc4ccccc43)n2)cc1OC 12881657 HHZANTAKQWXSND-QFIPXVFZSA-N 435.480 2.358 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)N[C@@H]1CCCc2ccccc21 13138274 QYUWASKSOSOEEH-HXUWFJFHSA-N 431.533 2.326 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)CSc1nc3[nH]c(=O)cc(O)c3s1)CC2 13990394 TWIVWZMLELEAHS-UHFFFAOYSA-N 433.511 2.384 0 40 IEAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)N1CCN(CC(=O)N2CCCC2)CC1 14142369 JSTGSVSEYWIJGA-HSZRJFAPSA-N 444.576 2.333 0 40 IEAB Cc1ccc(-n2nnc3c(N4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)ncnc32)cc1 15884113 WEVDDCHIWQQCSK-UHFFFAOYSA-N 449.540 2.338 0 40 IEAB Cc1ccccc1CC(=O)N1CCC(c2cc(C(=O)N3CCC[C@@H](C(N)=O)C3)on2)CC1 19237035 AQZUBSRPAUQWBU-LJQANCHMSA-N 438.528 2.269 0 40 IEAB CCn1cc(S(=O)(=O)N2CCO[C@H](c3nccnc3-c3ccc(OC)cc3)C2)c(C)n1 19693435 BYYREALWPOXRHH-SFHVURJKSA-N 443.529 2.439 0 40 IEAB COc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)Cc2cn(C)nc21 19696115 OVISHTQKUGBOSR-KRWDZBQOSA-N 444.488 2.495 0 40 IEAB Cc1nc(NC(=O)Cn2cc(C(=O)N[C@H](c3nccn3C)C3CC3)ccc2=O)sc1C 19749257 NQBBZRMMFXPNNW-SFHVURJKSA-N 440.529 2.175 0 40 IEAB CN1CCN(C(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)[C@H](c2ccccc2)C1 19751197 FGCVNMGQJGYSAN-QHCPKHFHSA-N 444.535 2.294 0 40 IEAB Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1CCc1ccccc1 19939345 XLCNLMGLUGYIJN-UHFFFAOYSA-N 444.539 2.471 0 40 IEAB O=C(CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)NC[C@@H](O)c1ccccc1 20722051 BFJPSFPDGSNZES-JOCHJYFZSA-N 448.523 2.082 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 22136785 LQWSSWACAXTCPY-UHFFFAOYSA-N 433.496 2.021 0 40 IEAB CCN1CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 22874237 AYCGROKTHJBCJB-UHFFFAOYSA-N 428.986 2.091 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)Cc3cccc(F)c3)cc2C1=O 24839666 VLLJCYREWNQAFI-UHFFFAOYSA-N 442.443 2.274 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(C(F)(F)F)cn1 32903180 HCZVKOKFFFSCCI-UHFFFAOYSA-N 429.420 2.051 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(F)c3F)CC2)cc1 34898198 PAOKKQGIOHXAIM-UHFFFAOYSA-N 427.448 2.357 0 40 IEAB C[C@H](C(=O)N(C)C[C@H]1CCN(C)C1)N1CC[C@@]2(CCC1=O)CC(=O)c1ccccc1O2 36719088 ZXSIHGQTZVOSAY-YTZAWJCFSA-N 427.545 2.202 0 40 IEAB COc1ccc(OC)c(NC(=O)C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1 56997912 LFKRYXIODFXOQO-UHFFFAOYSA-N 446.935 2.234 0 40 IEAB Cn1nc(Br)c2c(=O)n(CC(=O)N[C@H](c3ccccc3)c3ccco3)cnc21 58328282 SBDCOFIAVVVAAP-MRXNPFEDSA-N 442.273 2.391 0 40 IEAB Cc1c(C(=O)N[C@@H](C)C(C)C)nnn1-c1cccc2c1CCN(S(=O)(=O)C(C)C)C2 69972822 QEESJERDRYKCEO-HNNXBMFYSA-N 433.578 2.446 0 40 IEAB O=C(COC[C@@H]1CCCCO1)N1CCC([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)CC1 72395612 JLBSVIKSQMQYPY-HRCADAONSA-N 431.459 2.390 0 40 IEAB CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1cn(C)c2ccccc12 77171670 DXNBKRCFCTTZDJ-NRFANRHFSA-N 428.558 2.461 0 40 IEAB CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@H](N)CC3 77943071 ZVYVPGLRVWUPMP-GYCJOSAFSA-N 435.455 2.473 0 40 IEAB biogenic COc1ccc(C(=O)O[C@H](C)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC[C@H]1C 104010777 JLVDBXVFMWOTQJ-HZPDHXFCSA-N 438.546 2.426 0 40 IEAB O=C(O)c1cc(S(=O)(=O)N2CCC[C@H](Cc3nc(-c4cnccn4)no3)C2)ccc1F 217854609 OQBVXOAAHVWFTP-GFCCVEGCSA-N 447.448 2.007 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 408590070 IYRDOXTZZRFSBU-UHFFFAOYSA-N 443.319 2.391 0 40 IEAB C[C@@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408670909 XQORLHQAJKEZCE-UKTVDESPSA-N 436.386 2.383 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408975778 NDKCMOKPXVRSJH-UHFFFAOYSA-N 429.436 2.366 0 40 IEAB CC(=O)NCCNC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O 524729781 JETDNWJUZKXQNM-HNNXBMFYSA-N 438.436 2.002 0 40 IEAB biogenic Cc1cc(C)c(NC(=O)CNC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c(C)c1 8623801 FEKSISURXCLHOQ-RUZDIDTESA-N 448.523 2.450 0 40 IEAB CC[C@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)C1=O 8849233 LUJUQCNQLMKCJE-IBGZPJMESA-N 432.481 2.263 0 40 IEAB COCCCN(C(=O)CCc1c[nH]c2ccccc12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 8946010 CPNZRSVMNJUVLT-UHFFFAOYSA-N 441.532 2.258 0 40 IEAB CCOC(=O)c1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)cc1 9124444 DYULCIDYZWTGRR-UHFFFAOYSA-N 445.479 2.273 0 40 IEAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(C(=O)OC)cc3)c2C(N)=O)C1 9347509 HLKZDCZTVVOCEC-UHFFFAOYSA-N 431.470 2.401 0 40 IEAB Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(Cl)cc12 9510373 ZDMDOBBWVHUGBJ-UHFFFAOYSA-N 436.873 2.097 0 40 IEAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OS(=O)(=O)c1ccc(OC)cc1 9761629 SCWNVHJWKZRXLE-UHFFFAOYSA-N 448.428 2.325 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 9908464 YVLVVAUAGVSZJX-HNNXBMFYSA-N 442.541 2.374 0 40 IEAB CCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1)c1c(N)n(CCC)c(=O)[nH]c1=O 9956518 FWHLCEWPVYXECB-INIZCTEOSA-N 441.532 2.023 0 40 IEAB CC[C@H](C)c1ccc([C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)C)cc1 12627289 AEPSCDNQTDZZKQ-HNAYVOBHSA-N 425.533 2.461 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@]21O3 12642090 YQLYQETVFQLIKY-VVIUBNQASA-N 443.588 2.443 0 40 IEAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 12798793 MBYHLWPMHOOCEA-HXUWFJFHSA-N 435.496 2.291 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCn2c(C)nc3ccccc32)cc1 16109811 BQJXIGWLHXRGPW-NRFANRHFSA-N 442.541 2.323 0 40 IEAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN3C(=O)CCCN3CCCC3=O)c2N)cc1 19558721 BECPSVAGYWWALG-LJQANCHMSA-N 439.516 2.039 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O 19699935 LAODDKUULTXRKI-IBGZPJMESA-N 430.524 2.156 0 40 IEAB CNc1nc(C2CCN(C)CC2)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2 19710491 KTHQSHFZHMHDEN-UHFFFAOYSA-N 431.562 2.083 0 40 IEAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(NCCCO)nnnc4c23)CO1 19947224 TTYHARLZGUVAOQ-UHFFFAOYSA-N 430.534 2.117 0 40 IEAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1OC 22796677 FDNVXMQIRLRVOE-HXUWFJFHSA-N 440.544 2.056 0 40 IEAB Cc1nnc2ccc(N3CCN(C(=O)CSc4nc5ccccc5s4)CC3)nn12 36703690 AWBJLFYSLACNSJ-UHFFFAOYSA-N 425.543 2.483 0 40 IEAB O=C(Cn1cc(Br)ccc1=O)NC1CCN(C(=O)c2ccccc2F)CC1 48310305 ATORHBYXAIHKKN-UHFFFAOYSA-N 436.281 2.171 0 40 IEAB CCSc1ccccc1C(=O)N1CCN(c2nnc(SCC(=O)NC)s2)CC1 49369417 KDCLJOJHTXBVFD-UHFFFAOYSA-N 437.616 2.451 0 40 IEAB COc1ccc(OC)c(NC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)c1 72325906 DFOGMWDQALECHD-QHCPKHFHSA-N 438.484 2.207 0 40 IEAB O=C(O)CCCC(=O)N1CCC[C@@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72338448 RZCAWGPNRPDOES-GOSISDBHSA-N 439.516 2.336 0 40 IEAB Cc1ccc2c(c1)C(=O)C[C@@H]([C@H]1CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C1)O2 72396482 YAKQWPDKQFVIBC-UWJYYQICSA-N 434.558 2.239 0 40 IEAB O=C(CN1CCC[C@@H]1Cn1cnc2ccccc21)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 89878673 AAQZMBVVXZQENZ-WOJBJXKFSA-N 444.601 2.459 0 40 IEAB CCCn1c(Cn2c(C)nn(C(C)(C)C)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 95468070 XHJJBLOVEYEFAF-UHFFFAOYSA-N 434.566 2.167 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CC[C@H]3CCOC(=O)[C@@H]32)c1 95976351 BFHNQXNIBXCPAE-HRAATJIYSA-N 443.525 2.088 0 40 IEAB CC(=O)N1CCc2nc3cc(C4CCN(C(=O)C5[C@H]6CCCC[C@H]56)CC4)nn3c(O)c2C1 100243033 NKZLXCGRYDIFNM-IRXDYDNUSA-N 437.544 2.482 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)CC1 220619913 UDAIASLBGRUXIJ-GOSISDBHSA-N 426.535 2.042 0 40 IEAB O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 511410473 KFERUMBGNLVHNP-UHFFFAOYSA-N 436.497 2.236 0 40 IEAB O=S1(=O)C[C@@H](O)[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575425199 QLLZXWCUFDDSRP-JKSUJKDBSA-N 436.338 2.347 0 40 IEAB O=C(NC[C@@H]1CCc2ccccc2C1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 679798345 PCAKJHOANDESMR-JJXUHFIVSA-N 448.972 2.385 0 40 IEAB CCOc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)O[C@H](C)C2 1136514863 WAIGESWITOFXIY-ZIAGYGMSSA-N 434.514 2.320 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1C[C@H]2CN(c3nc(C)nc4c3CCC4)C[C@@H]2C1 1888913495 JWIWPRIOMQYFLV-HUUCEWRRSA-N 432.521 2.178 0 40 IEAB COc1cccc(-n2nnnc2SCC(=O)NCCc2ccc(OC)c(OC)c2)c1 932246 QOHJLEKEWYAFSX-UHFFFAOYSA-N 429.502 2.139 0 40 IEAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(-c3ccco3)n2N)c1 3341279 IBJOEKMSPOSGDC-UHFFFAOYSA-N 427.895 2.040 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)NCCc2ccc(F)cc2)C1=O 8894224 ISLNZHHLZAXLTK-QHCPKHFHSA-N 441.459 2.113 0 40 IEAB O=C1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccncc2)c2ccccc2N1 9060710 AKBUZWYARCVRIJ-FQEVSTJZSA-N 429.480 2.477 0 40 IEAB COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(OCC(N)=O)cc1 9592101 PKOSMCUKTPZCTM-NRFANRHFSA-N 436.464 2.466 0 40 IEAB O=C([C@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1)N1CCOCC1 9779746 TXMDFWDZWONEFO-OAQYLSRUSA-N 435.480 2.080 0 40 IEAB O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cl)cc1 9806902 INEHKPBXIWKMEZ-AWEZNQCLSA-N 427.935 2.310 0 40 IEAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 10719897 IJDPQOFBTYVRIC-LJQANCHMSA-N 426.492 2.226 0 40 IEAB O=C(NC1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1)c1ccccc1 10783226 KSVQOBIVDUTXQD-UHFFFAOYSA-N 449.960 2.429 0 40 IEAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)c1 11597140 AHNUJYXQKVLAKX-SFHVURJKSA-N 445.497 2.208 0 40 IEAB CCOC(=O)c1ccc(NC(=O)N2CCC[C@H](c3ncncc3S(C)(=O)=O)C2)cc1 12154679 NWSICCDIUOTKHN-HNNXBMFYSA-N 432.502 2.468 0 40 IEAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccc(Cn2cccn2)cc1 12553480 SOUHBQLZOYULJN-UHFFFAOYSA-N 437.525 2.142 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC2CCCC2)Cc2cccs2)cc1 13502943 TWHYHCSHTLAZBR-UHFFFAOYSA-N 449.598 2.422 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)cc1 15513300 MRIIPVRLALVEKI-UHFFFAOYSA-N 436.493 2.491 0 40 IEAB CC(=O)NCC(=O)N1CCC(c2nc(C)c3c(n2)N(Cc2ccc(C)cc2)C(=O)CC3)CC1 19695691 BUPPKWGHYOZNOF-UHFFFAOYSA-N 449.555 2.415 0 40 IEAB CCN(CC)C(=O)CN1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702091 VCMAVIWGTPDDFR-MRXNPFEDSA-N 430.574 2.426 0 40 IEAB CNc1nc([C@@H]2CCCCN2C(=O)Cc2csc(C)n2)nc2c1CN(C(C)=O)CC2 19710391 LXIYDQXHXSMVRQ-SFHVURJKSA-N 428.562 2.484 0 40 IEAB Cc1cccc(CC(=O)N2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c1 19759533 ATCGJMDYSOMATF-HSZRJFAPSA-N 433.508 2.408 0 40 IEAB Cc1c(C(=O)N2CC[C@H](c3cc(C(=O)N4CCN(C)CC4)c4ccccc4n3)C2)cnn1C 19761436 GBAHJTZFPJTHIZ-SFHVURJKSA-N 446.555 2.294 0 40 IEAB Cc1ccc(C)c(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(=O)(=O)N(C)C)c1 20244749 OWUNMDCRUVMEJQ-UHFFFAOYSA-N 448.564 2.404 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)Nc4ccccc4Cl)c(=O)c3s2)CC1 21886385 SMLPNKJXSYUNMR-UHFFFAOYSA-N 432.937 2.287 0 40 IEAB COc1ccc(OC)c(N(CC(=O)NCCCc2ccccc2OC)S(C)(=O)=O)c1 22333821 MCDVSCKNMZJDNB-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2nnc(-c3ccccc3)o2)CC1 23934960 DAKWSIUYKFHVDE-UHFFFAOYSA-N 442.497 2.014 0 40 IEAB COc1cccc([C@H](NC(=O)CNC(=O)c2ccc(Br)o2)c2nccn2C)c1 29094952 CWOCWYLYRLTYBG-KRWDZBQOSA-N 447.289 2.420 0 40 IEAB C[C@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)NCC1CCCCC1 34892427 BLFGSDSVCAUWLV-INIZCTEOSA-N 440.635 2.195 0 40 IEAB CC(C)Cn1c(N2CCN(Cc3c(F)cccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952482 KDBBAUNCXJDBCR-UHFFFAOYSA-N 448.930 2.194 0 40 IEAB CC(C)CN(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 57463115 IOVDTYRZMWCEPF-LJQANCHMSA-N 427.998 2.134 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)c1cnc(N2CCN(CC(C)C)CC2)nc1N 71771999 FPVRKKPRDRYTTG-UHFFFAOYSA-N 439.969 2.332 0 40 IEAB CCOC(=O)N1CCN(c2ncc(C(=O)NCc3ccc(F)c(Cl)c3)c(N)n2)CC1 71772200 OVLUOVQDZIZHBQ-UHFFFAOYSA-N 436.875 2.060 0 40 IEAB COC(=O)/C=C/[C@@H](O)[C@@H](O)CC/C(C)=C/[C@@H]1C=C(C)[C@H](C)[C@H]2[C@H](CC(C)C)NC(=O)[C@@]21O 72320201 YUXUTEAAGHFKKH-XCQUDDMXSA-N 449.588 2.268 0 40 IEAB biogenic,in-vitro CC(=O)N1CCC[C@@H](c2ccccc2CC2(C(N)=O)CCN(C(=O)c3cc[nH]n3)CC2)C1 72380213 RKBAFUXXGRIGCQ-LJQANCHMSA-N 437.544 2.086 0 40 IEAB CCOc1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc(O)ccc5[C@H]4[C@H]3C2=O)cc1 79487982 ILZMDKUUNVHAOI-JZXOWHBKSA-N 438.461 2.269 0 40 IEAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3C)CC2)O1 96144886 URMJNYXAYPRBOP-GOSISDBHSA-N 446.573 2.139 0 40 IEAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 223893011 HRZWHIGTGBZZKI-AWEZNQCLSA-N 436.555 2.429 0 40 IEAB COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1I 408617828 JXTJSWPOVKOODM-UHFFFAOYSA-N 444.250 2.447 0 40 IEAB COc1ccc(CCN2C[C@H](CN3C(=O)NC4(CCCCC4)C3=O)CC2=O)cc1OC 2298061417 ZNMSJAHFFSJVPU-QGZVFWFLSA-N 429.517 2.350 0 40 IEAB CNC(=O)C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1 1073424 SMTDIXXXBMGJOS-HNNXBMFYSA-N 434.880 2.262 0 40 IEAB COC(=O)CN1C(=S)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 2222032 REEYHHQQVAZQPK-MRXNPFEDSA-N 433.436 2.469 0 40 IEAB CC(C)Cn1c(N)c(C(=O)CSc2ncnc3sc4c(c23)CCC4)c(=O)n(C)c1=O 2630171 HBOUCYXTOIWDKV-UHFFFAOYSA-N 445.570 2.254 0 40 IEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(=O)n(Cc2ccccc2)n1 3360119 NAYAXKFPRLDMRR-UHFFFAOYSA-N 446.463 2.212 0 40 IEAB COc1ccc(NC(=O)c2ccc(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)cc2)cc1 9467148 VZCWQJAGWQHBCA-GOSISDBHSA-N 431.514 2.005 0 40 IEAB CCc1ccccc1Nc1nc(N)nc(COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n1 9469540 RWMQYKXABMNPCH-HNNXBMFYSA-N 436.472 2.445 0 40 IEAB O=C(NCc1ccccc1Cl)C(=O)NC[C@H]1OCCN1C(=O)c1ccc(Cl)cc1 9600534 LJOXIBWQSVKDGO-QGZVFWFLSA-N 436.295 2.225 0 40 IEAB O=C([C@H]1CN(C(=O)CCc2nc(-c3ccccc3)no2)c2ccccc2O1)N1CCOCC1 9745308 AXNOSWCRMREYKF-HXUWFJFHSA-N 448.479 2.322 0 40 IEAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 10762717 PSAVKVASRZKACH-NQCMUKECSA-N 447.454 2.220 0 40 IEAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N 12705168 PYLFEJPUWZVTLD-LLVKDONJSA-N 435.575 2.366 0 40 IEAB O=C(Oc1ccc(-c2nnco2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 12854404 JKNDIHSBCGZBJE-UHFFFAOYSA-N 433.417 2.116 0 40 IEAB C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@H]12 12897399 OACAZKAYRUIRND-LQXWDLBYSA-N 425.466 2.175 0 40 IEAB biogenic CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C 14109137 WNQYOORLZJZYQB-LLVKDONJSA-N 449.023 2.258 0 40 IEAB Cn1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)n1 14117912 KUYKGCQIYICERV-LBPRGKRZSA-N 427.324 2.222 0 40 IEAB O=C(COCc1nc2ccccc2s1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 14196538 DTKUPPZPYZYQAK-UHFFFAOYSA-N 447.538 2.473 0 40 IEAB C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1 15197494 YHGUGHDRZMSNFA-CYBMUJFWSA-N 444.962 2.241 0 40 IEAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 18948395 OFIXQOCZDGUUGO-UHFFFAOYSA-N 432.436 2.323 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c1C 19045847 ARNUVMXHFLELNL-JOCHJYFZSA-N 425.441 2.255 0 40 IEAB COc1ccc(CC(=O)N2CCC(c3ncc(C(=O)N4CCOCC4)c(C)n3)CC2)cc1 19751989 SCXRBLHLEZNMKB-UHFFFAOYSA-N 438.528 2.215 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)Oc2ccccc21 19932881 QTZKRMNOTZHJMZ-VBKZILBWSA-N 434.514 2.498 0 40 IEAB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc(OC)cc1)c1ccc2c(c1)OCCO2 20046840 WBWCWOCPBVCJPD-OAHLLOKOSA-N 434.514 2.500 0 40 IEAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NCc3cccs3)CC2)cc1 21151355 ZPCVORXAALGKON-UHFFFAOYSA-N 427.534 2.150 0 40 IEAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(N2CCOCC2)cc1 21847407 FIVOICNXAIZHMS-UHFFFAOYSA-N 438.528 2.008 0 40 IEAB Cn1c(=O)c2nc(Br)n(Cc3ccccc3Br)c2n(C)c1=O 21996314 SGMPRWQBMILNFO-UHFFFAOYSA-N 428.084 2.007 0 40 IEAB COc1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c(OC)c1OC 22329443 PBBAZBBPFVQXBT-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB CCCNC(=O)Cn1nc2c(c1NC(=O)[C@H]1CC(=O)N(c3ccc(C)cc3)C1)CSC2 23138869 IIXDBOMRWOKWEU-HNNXBMFYSA-N 441.557 2.456 0 40 IEAB O=C(NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(N2CCCC2=O)cc1 23762434 JKDROQBSABQXLH-XBXARRHUSA-N 446.551 2.401 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 25213705 SWULMCVPNILBBL-UHFFFAOYSA-N 447.532 2.087 0 40 IEAB C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CCN1S(=O)(=O)Cc1ccc(F)cc1 25372207 KQRVWOKMFFMAOU-OAHLLOKOSA-N 444.525 2.331 0 40 IEAB Cc1nccn1-c1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 30866476 AYTQGBZMSRSAJI-FQEVSTJZSA-N 426.498 2.024 0 40 IEAB CCCCn1nnc(NC(=S)NC(=O)c2ccccc2I)n1 33663645 RNGZZNZOXQUNFX-UHFFFAOYSA-N 430.275 2.205 0 40 IEAB O=C(Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)Nc1ccccc1Br 49408933 PFZRGVUZZZETDS-UHFFFAOYSA-N 440.319 2.034 0 40 IEAB Cc1cc(C)n(C(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cn3)cn2)n1 49420839 HWWINXCBDYFGPE-CQSZACIVSA-N 428.518 2.190 0 40 IEAB CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)C(=O)C1 72294606 XZIQBEDJWPBKHP-UHFFFAOYSA-N 444.532 2.331 0 40 IEAB COC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)CCCn1cncn1 72306774 DLRTXDOPIOWSNT-MRXNPFEDSA-N 434.294 2.203 0 40 IEAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2nccn2C)CCO1 72356228 UHVUIEYHUDTQBK-OAHLLOKOSA-N 428.514 2.225 0 40 IEAB CS(=O)(=O)Nc1cccc(NC(=O)c2nnn(-c3ccc(Br)cc3)n2)c1 77100507 NSBGTVHXQNEPJY-UHFFFAOYSA-N 437.279 2.049 0 40 IEAB COc1cc2c(cc1OC)CN(Cc1c(O)c(CN3CCSCC3)coc1=O)CC2 79188516 ZUXYYQQOFAOFQD-UHFFFAOYSA-N 432.542 2.470 0 40 IEAB biogenic CCn1cc(C(=O)N2CC(S(=O)(=O)c3ccc(OC)cc3)C2)c(=O)c2ccc(C)nc21 96378044 FAMPYXMSWOCWKU-UHFFFAOYSA-N 441.509 2.032 0 40 IEAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1C[C@@H]2C[C@H](C1)C1=[N+](C2)C(=O)CC=C1 101362926 HQRRSAOXPVENFX-LXMRNRCJSA-N 442.542 2.203 0 40 IEAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(S(C)(=O)=O)cc1 206798831 BEJVFQBPWXVWCR-QFBILLFUSA-N 449.500 2.383 0 40 IEAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223472966 QSVDQWJANZRCBD-FQEVSTJZSA-N 445.585 2.357 0 40 IEAB COc1ccc(/C=C/C(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 224196781 FABUPPHQBHFZAI-WUXMJOGZSA-N 434.514 2.163 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225223107 OIWXKENJTDAXNE-GOSISDBHSA-N 431.558 2.233 0 40 IEAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225459917 AJZSSIDJPFRDAE-SFHVURJKSA-N 431.558 2.395 0 40 IEAB Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(OCCN)cc3)C2)c2cnccc2n1 257331069 XRGLWNQLNQEZJF-VWLOTQADSA-N 449.555 2.379 0 40 IEAB O=c1c2c(nc3n1CC1(CCN(Cc4nccs4)CC1)C3)CCN(Cc1cccnc1)C2 306124707 BXDKZHCYJTWXIA-UHFFFAOYSA-N 448.596 2.492 0 40 IEAB Cc1nc(CN2CC[C@]3(CN(C(=O)c4ccncc4)C[C@@H]3c3cn(C)cn3)C2=O)cs1 306131652 KLBRGZNEXJVJRS-XMSQKQJNSA-N 436.541 2.239 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1C 408559827 MZBKGLCDEHBSHG-HNNXBMFYSA-N 436.530 2.047 0 40 IEAB O=C(O)CN1C(=O)N/C(=C/c2cccn2-c2ccc(I)cc2)C1=O 408596398 YWIPJZODMWWJBL-MDWZMJQESA-N 437.193 2.059 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccccc2)c(OC)c1 408975239 KZTRTTFLYLLFIL-LJQANCHMSA-N 448.541 2.190 0 40 IEAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2cccc(C(=O)O)c2)n1C 409165313 WEQSLXNZPOQWSH-UHFFFAOYSA-N 439.497 2.483 0 40 IEAB CS(=O)(=O)Nc1ccc(CNC(=O)c2ncoc2-c2ccc3c(c2)OCCO3)cc1 525144346 MJINHVOHKMOMQH-UHFFFAOYSA-N 429.454 2.414 0 40 IEAB O=S(=O)(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(F)c(Cl)c1 585147773 ZMXCHJPRFRSFBZ-UHFFFAOYSA-N 445.925 2.491 0 40 IEAB COc1cc(CN2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)ccc1OCCN(C)C 585270616 AFPDRQZLMKRWLM-OAQYLSRUSA-N 427.536 2.304 0 40 IEAB NC(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1 585287132 UHJRPCNMNZUGSQ-JOCHJYFZSA-N 446.887 2.163 0 40 IEAB COc1ccc2c(=O)n(CC3CCN(Cc4nnc([C@H]5CCOC5)o4)CC3)cnc2c1 1849562819 OIQLZTAJNTTZRG-INIZCTEOSA-N 425.489 2.204 0 40 IEAB COc1cc2oc(=O)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)O)c(C)c2cc1OC 2158421 DODDPFVBYWVNSM-KRWDZBQOSA-N 425.437 2.473 0 40 IEAB biogenic NC(=O)c1cc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)cc(C(N)=O)c1 3343908 AZGSNRSYSGRYPB-UHFFFAOYSA-N 446.489 2.349 0 40 IEAB COCC(=O)N1CCN2C(=O)c3cc(-c4ccc(SC)cc4)ccc3NC(=O)[C@H]2C1 4235890 SVJDTJPKKOAHLT-LJQANCHMSA-N 425.510 2.327 0 40 IEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)NCC(C)C 4996790 YHNYUTFKXHMHTR-UHFFFAOYSA-N 426.535 2.189 0 40 IEAB CC(C)NC(=O)COC(=O)[C@@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12 9562752 SIAUMCMMUBANPU-KSSFIOAISA-N 441.347 2.408 0 40 IEAB Cc1cccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2N2CCOCC2)c1 9780480 RUWKAEIPJHJLAG-UHFFFAOYSA-N 435.513 2.267 0 40 IEAB O=C(CSc1nnc(NC2CC2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9861421 HKKVUXROIQTMBA-UHFFFAOYSA-N 440.572 2.108 0 40 IEAB CC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)ccc2F)cc1 12031411 GNULZUPQBCWLJA-MRXNPFEDSA-N 439.486 2.241 0 40 IEAB O=C(O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 13114327 XCBYQQRXLNSMSJ-UHFFFAOYSA-N 446.481 2.195 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3cc(C)cc(C)c3)CC2)cc1 15729996 FDHPCEQAGPTGID-UHFFFAOYSA-N 431.558 2.048 0 40 IEAB CC(=O)N1CCc2c(O)nc([C@H]3CCCN3C(=O)[C@H](C)Oc3cccc(F)c3)nc2C1 19078749 GZUMASOVXZIVRG-ORAYPTAESA-N 428.464 2.357 0 40 IEAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)CN2C[C@H](C)O[C@H](C)C2)cn1 19214989 PWPJESFCQPWAJN-HDICACEKSA-N 438.532 2.442 0 40 IEAB CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)c2cnccn2)CCO1 19529333 NEJDVQCFVBACGW-DEOSSOPVSA-N 431.496 2.129 0 40 IEAB COc1ccc(CC(=O)N2CCC[C@]3(C2)CN(S(C)(=O)=O)Cc2ccccc2O3)cc1 19554206 FBAIJXDLEIERCA-QHCPKHFHSA-N 444.553 2.453 0 40 IEAB O=C1C[C@@H](C(=O)NCCc2nc(NC3CC3)ncc2C(=O)N2CCCC2)c2ccccc2N1 19697775 UPPDZFCLEBCFGF-QGZVFWFLSA-N 448.527 2.072 0 40 IEAB CCN(CC)C(=O)CN1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702092 VCMAVIWGTPDDFR-INIZCTEOSA-N 430.574 2.426 0 40 IEAB Cc1nnsc1C(=O)N1CC[C@@H](c2c(C(=O)NCCN(C)C)sc3ncccc23)C1 19702236 BIWVRFRJEBUQHG-CYBMUJFWSA-N 444.586 2.377 0 40 IEAB CNc1nc(C2CCN(CC(=O)Nc3ccccc3F)CC2)nc2c1CN(C(C)=O)CC2 19711364 QBKJPCDDMFCBKI-UHFFFAOYSA-N 440.523 2.380 0 40 IEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1 19749014 QVARUJKBFNTMII-OAHLLOKOSA-N 427.549 2.009 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 20038558 BPLVSYQJJBTBKB-GOSISDBHSA-N 444.557 2.074 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CCS(=O)(=O)Oc2ccccc2)C1=O 21558712 VNIMGWSLLLGSNW-NRFANRHFSA-N 446.481 2.024 0 40 IEAB CCc1ccc(N(CC(=O)NCc2ccc(OC)c(OC)c2OC)S(C)(=O)=O)cc1 22361625 ZGEBPNGRQHOUON-UHFFFAOYSA-N 436.530 2.357 0 40 IEAB COC(=O)c1ccc(OC[C@H](O)CNC[C@@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 22809290 OVCMXLHEZOJXCB-QUCCMNQESA-N 432.517 2.123 0 40 IEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCC3)c2)CC1 26114654 RSPNQBFEMZQSHS-UHFFFAOYSA-N 441.575 2.107 0 40 IEAB CN(Cc1ccc(C(N)=O)cc1)C(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 31166272 KWHAGRVDPLQBRD-UHFFFAOYSA-N 443.447 2.131 0 40 IEAB Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 32803093 CDODAXOFPTUXLX-SFHVURJKSA-N 444.557 2.334 0 40 IEAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)O[C@H]1CCCCNC1=O 40025130 JYZJPVMURGNMFC-FQEVSTJZSA-N 444.509 2.272 0 40 IEAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3ccc(C(=O)c4nccn4C)cc3)c2c1 40313055 BMVWXFAFINXHSG-UHFFFAOYSA-N 445.479 2.438 0 40 IEAB biogenic CC(C)CCn1c(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952516 WBIDALIPCSNDJN-UHFFFAOYSA-N 444.967 2.445 0 40 IEAB Cc1c(C(=O)N2CCN(c3ncccn3)CC2)nnn1-c1ccccc1Br 67283398 XOVJIHQCMOXVQE-UHFFFAOYSA-N 428.294 2.091 0 40 IEAB COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 69121416 HXGOUFWAUVSJTH-UHFFFAOYSA-N 438.889 2.400 0 40 IEAB CC(C)CCN1Cc2c(C(=O)NC[C@H]3CCCO3)ncn2-c2ccccc2S1(=O)=O 96062725 BADFAXLOOMEUSX-MRXNPFEDSA-N 432.546 2.332 0 40 IEAB CC(=O)O[C@H]1C[C@H]2[C@H](O)[C@]3(C(=O)[C@@H]2C)[C@H](O)C[C@@H]2C(C)(C)CC[C@@H](OC(C)=O)[C@@]2(C)[C@@H]13 100359670 LGRQSRYHHCUXCE-XQWYDJRBSA-N 436.545 2.259 0 40 IEAB NC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 222792357 ZJNSGRTVVCNGAS-UHFFFAOYSA-N 437.890 2.344 0 40 IEAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224384606 KJXNCSUZLWDPBQ-ZCNNSNEGSA-N 443.519 2.410 0 40 IEAB CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CCN21 253402384 OGAZIWZGSDXBAA-FQEVSTJZSA-N 427.570 2.225 0 40 IEAB biogenic,in-vitro Cc1c(C)n(C)c2ccc(NC(=O)[C@@H]3CN(C(=O)CCc4cc(O)no4)CCN3C)cc12 257212056 CBSRFPJHAVLGEM-FQEVSTJZSA-N 439.516 2.203 0 40 IEAB COc1cc(Cl)cc2cc(C(=O)N[C@@H]3CCC[C@@H](N4CCN(C(C)=O)CC4)[C@@H]3O)oc12 257270232 MTGQSIUNHVCNOJ-MBOZVWFJSA-N 449.935 2.271 0 40 IEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@H]1COc2ccccc2O1 260890343 CIAMOJCHHJWZTJ-ROUUACIJSA-N 434.514 2.196 0 40 IEAB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCN2C(=O)c3ccccc3C2=O)CC1=O 408638781 DMUOLUITJAZSDU-GFCCVEGCSA-N 428.828 2.498 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)OC(=O)N(C(C)(C)C)C4=O)CC2=O)cc1 1888930473 PRYJWBVEDPFNGQ-OAHLLOKOSA-N 443.500 2.187 0 40 IEAB Cc1nc2ccccn2c1CN1CCO[C@]2(CO[C@@H](C(=O)NCc3ccc(F)cc3)C2)C1 2056225909 FKRVPHDTJUUMSR-QPPBQGQZSA-N 438.503 2.458 0 40 IEAB O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1cccnc1 803395 QQWWWCVQECURHU-UHFFFAOYSA-N 439.493 2.365 0 40 IEAB O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)Nc1nccs1 3266306 LRCBVPHHRDHWBA-UHFFFAOYSA-N 440.528 2.036 0 40 IEAB CCOc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCCC3)c2C)cc1 8611395 GTGRJHMJZZJSOK-UHFFFAOYSA-N 427.548 2.310 0 40 IEAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O[N+](=O)[O-])CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 8789572 LURMPNRKWFDKMB-HZXDTFASSA-N 449.500 2.114 0 40 IEAB biogenic O=C(CCNC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 9130226 LBVDBIXNHAJMGF-UHFFFAOYSA-N 425.470 2.036 0 40 IEAB COc1ccc([C@H](CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)N2CCCC2)cc1 9315016 KZYFMKRKBAWRJZ-ACRUOGEOSA-N 425.529 2.290 0 40 IEAB COC[C@H](C)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1=O 9426558 ASWAUTKFGGEBME-DLBZAZTESA-N 437.562 2.073 0 40 IEAB NC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 11432022 GYJMSSIZJZQQSE-MRXNPFEDSA-N 430.404 2.144 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1 12678957 QEPYOKSJCBJNGB-UHFFFAOYSA-N 430.515 2.053 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)cc1 12791983 QXQHCKSCEZXJEM-UHFFFAOYSA-N 425.514 2.113 0 40 IEAB NC(=O)CSC1=N[C@@H](c2ccccc2)N2C(SCC(N)=O)=N[C@H](c3ccccc3)N12 13773719 RHLBEVRDYXTMPH-HDICACEKSA-N 440.554 2.079 0 40 IEAB CCCCNC(=O)CN1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 14095066 XMFCSCMFSURKAA-UHFFFAOYSA-N 425.455 2.116 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)C[C@@H](C)O1 15912272 SCYRPYNEAZDXDE-GASCZTMLSA-N 429.498 2.083 0 40 IEAB CC(=O)N1CCC[C@@H](c2nc(CN(C)C(=O)COc3ccccc3F)cc(N(C)C)n2)C1 19709668 OSEASIYNLQLHRX-QGZVFWFLSA-N 443.523 2.445 0 40 IEAB CCS(=O)(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)C1 19738914 DXGZRXQCKURNEK-SFHVURJKSA-N 428.558 2.446 0 40 IEAB CN1CCN(C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)[C@H](c2ccccc2)C1 19751670 VVAASIUSRKUPSV-QHCPKHFHSA-N 444.535 2.294 0 40 IEAB CNc1nc(C)c(C(=O)N2CCCC[C@@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)s1 19765433 BLECNTQFDWDRGA-MRXNPFEDSA-N 444.561 2.431 0 40 IEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1=O 21650932 VXNSWXNKPFQMIH-QHCPKHFHSA-N 438.484 2.193 0 40 IEAB COc1cc(N2C[C@@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2=O)cc(OC)c1OC 23112710 PWGVAUSPYNDFBR-ZDUSSCGKSA-N 448.497 2.108 0 40 IEAB C[C@@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C(=O)O1 32736475 ZTYROKYINXOJNR-BXUZGUMPSA-N 435.420 2.353 0 40 IEAB CCOC(=O)COc1c(Cl)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1Cl 33775625 DQPCMWZLCLEFDT-WUXMJOGZSA-N 431.228 2.001 0 40 IEAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCN(CC(=O)N2CCCCCC2)CC1 35349105 IILYHUQTMHHLOH-UHFFFAOYSA-N 443.523 2.355 0 40 IEAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N1CCN(CC(=O)N2CCCC2)CC1 36389520 DKBLNUVFOMAAAV-KRWDZBQOSA-N 429.590 2.056 0 40 IEAB CN(C)S(=O)(=O)c1ccc(-c2csc(NC(=O)CN3CCSC3=O)n2)cc1 40134072 QRBLMQVCDIYTFB-UHFFFAOYSA-N 426.545 2.168 0 40 IEAB CC(C)COc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cn1 40141610 ZXIVHXALWNSCEE-UHFFFAOYSA-N 427.530 2.144 0 40 IEAB C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 44891529 ILPMNLAKIQIJOR-AWEZNQCLSA-N 429.908 2.298 0 40 IEAB Cc1cc2nn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)n2c(-c2ccccc2)n1 49407096 DOCUPGGIWGPXQD-UHFFFAOYSA-N 428.496 2.215 0 40 IEAB Cc1nnc(S(=O)(=O)CC(=O)N[C@@H](C)c2ccc(Br)cc2)n1C1CC1 57985027 PIOXVXQFTJMJNV-JTQLQIEISA-N 427.324 2.335 0 40 IEAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)n1 72353700 NFOUDBYSOWSSPX-IBGZPJMESA-N 437.544 2.379 0 40 IEAB CCCCCCOCc1cccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)CN(C)C)c2)c1 84743142 SDVJVECINIVOAR-OAQYLSRUSA-N 445.564 2.480 0 40 IEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCCN1C(=O)S/C(=C/c3ccccc3F)C1=O)CS2 108807782 KOXDZILEZLCMJS-KRTQQXTASA-N 449.529 2.432 0 40 IEAB CCOC(=O)C1(c2ccc(NC(=O)c3ccc(OC)c(S(=O)(=O)NC)c3)cc2)CC1 222903363 JTYVJECWFPDKLM-UHFFFAOYSA-N 432.498 2.450 0 40 IEAB Cc1ccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c(C)c1 224547723 WTCKECLYNFLIEX-UHFFFAOYSA-N 445.585 2.218 0 40 IEAB CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc2ccc(C)c(F)c2)[C@H]1c1ccccc1 257230337 GBUIDDLBACIBAI-FUDKSRODSA-N 440.519 2.481 0 40 IEAB Cn1cc(-c2ccncc2)c(-c2ccc(CNC(=O)CCNC3=NC(=O)CS3)cc2)n1 257304491 SLXOLIVHOCWZHX-UHFFFAOYSA-N 434.525 2.374 0 40 IEAB COC[C@@H](C)NC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)cc1 408616836 CGSLQYQUOXQWSV-MRXNPFEDSA-N 436.530 2.359 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 409271704 WBJBCWVYZHPKRX-ZDUSSCGKSA-N 434.470 2.053 0 40 IEAB O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1csc([C@@H]2CCCO2)n1 534422418 BOFYAGDCSWXZEL-WBVHZDCISA-N 444.561 2.020 0 40 IEAB O=C1CN(Cc2ccccc2)Cc2ccc(C(=O)NCCO)cc2OCCCCCN1 643589051 PRIVZZRZBFFNES-UHFFFAOYSA-N 425.529 2.090 0 40 IEAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCCO2 665219 YCGHIMBTGXLPDQ-UHFFFAOYSA-N 427.276 2.137 0 40 IEAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCc2nccn2C(F)F)c1 8706414 PVLCWLABBQUVOM-UHFFFAOYSA-N 428.461 2.486 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCCn2c(=O)oc3ccccc32)C1=O 8735936 WHLWLJLWOUREJV-QHCPKHFHSA-N 436.468 2.349 0 40 IEAB CC(C)CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 8740622 QYPIMOQFQWMOLF-UHFFFAOYSA-N 444.967 2.293 0 40 IEAB O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCN(C(=O)C3CC3)CC2)CC1 8745443 OTSBJUQWTPPRQE-UHFFFAOYSA-N 448.361 2.382 0 40 IEAB Cc1c(C)c2c(OCC(=O)N[C@H]3CCS(=O)(=O)C3)cc3c(c2oc1=O)CCC(C)(C)O3 8765102 OIVCZCVVUNWVOY-AWEZNQCLSA-N 449.525 2.196 0 40 IEAB biogenic COc1ccc(CNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(OC)cc2)cc1 8951379 MHLWZMCESUTCIK-UHFFFAOYSA-N 435.484 2.111 0 40 IEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(Br)ccc1O 8984817 MCYONRUXJOZHJY-OAHLLOKOSA-N 436.258 2.212 0 40 IEAB COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 9589184 QUUHJDZEKNBJFS-UHFFFAOYSA-N 448.541 2.178 0 40 IEAB COc1ccc(OC)c(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c1 9616244 HMCDFYUEIHKUGL-UHFFFAOYSA-N 435.436 2.460 0 40 IEAB CNC(=O)NC(=O)[C@H](OC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O)c1ccccc1 9882614 LUXCAFCRXHFMGQ-QZTJIDSGSA-N 437.452 2.047 0 40 IEAB CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F)C2=O 10055453 XBEYQQUAIQIVDR-MRRLMSGDSA-N 441.406 2.475 0 40 IEAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)Cc2ccsc2)CC1 12133309 KFZBWHBAVBTDAT-UHFFFAOYSA-N 434.587 2.491 0 40 IEAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 13114902 WEOFZAAUSNPJGA-CALCHBBNSA-N 433.530 2.043 0 40 IEAB COCCNC(=O)[C@@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 13509352 PXUGQQZURZVNJQ-HSZRJFAPSA-N 444.495 2.363 0 40 IEAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)NC1CCCCC1 15019733 SBQVPJQYQCIOBZ-UHFFFAOYSA-N 437.591 2.322 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1OC 16960042 LFPCBNZUTCYYBS-UHFFFAOYSA-N 426.516 2.217 0 40 IEAB COc1ccccc1CCN(C(=O)/C=C/C(=O)O)[C@@H]1CC(=O)N(c2ccccc2C)C1=O 18197018 PVQIJCLVISYLRY-TZZQJPOUSA-N 436.464 2.348 0 40 IEAB CN1c2ncccc2C(=O)N[C@@H]1c1cccc(NC(=O)Cn2ncc3ccccc3c2=O)c1 19590947 ROBDQBRAHXAKHO-NRFANRHFSA-N 440.463 2.309 0 40 IEAB Cc1nc(CN(C)C(=O)c2ccc(=O)n(C)c2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19698653 OCHRTIIOAHIDKA-UHFFFAOYSA-N 449.486 2.374 0 40 IEAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2OC)n1 19760536 ZPUOXEHGEZPBSA-KRWDZBQOSA-N 447.561 2.339 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)CCCN3CCOCC3)C2)ncc1C(=O)N1CCCCC1 19763311 CORAHHXCPBZXMD-HXUWFJFHSA-N 443.592 2.230 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@@H](O)COCc2ccc(Cl)cc2)C1=O 21559561 KZELVNSFMGVEJY-VGOFRKELSA-N 446.887 2.456 0 40 IEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 23845187 LJQMOFWRKYVBLT-XMMPIXPASA-N 447.495 2.047 0 40 IEAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)N1CCN(C(=O)C2CC2)CC1 25590433 LNISBURMTZNHLT-UHFFFAOYSA-N 440.569 2.384 0 40 IEAB CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NC1CCCCC1 35374097 BKYPXHODOZQURJ-UHFFFAOYSA-N 441.507 2.324 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44908761 YYCLHMPWUGCVTD-QRWLVFNGSA-N 434.514 2.196 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2nc3cc(-c4ccc(OC)cc4)nc(C)n3c2=O)cc1 49407219 NIJZCKRXPONKNM-UHFFFAOYSA-N 447.451 2.300 0 40 IEAB COc1ccc([C@@H]2CCCN2C(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)c(OC)c1 59296932 MFJIGVPYYAYZCC-JRGCBEDISA-N 433.549 2.288 0 40 IEAB Cc1nnc(NC(=O)Cn2nc(N3CCN(c4cccc(Cl)c4)CC3)ccc2=O)s1 61718856 DWSFHBDXRGSZGX-UHFFFAOYSA-N 445.936 2.022 0 40 IEAB COc1cccc(C2=NC3(CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)NC2=O)c1 64965722 VBRXSOMMNZAJAF-UHFFFAOYSA-N 427.526 2.412 0 40 IEAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1ccc(OCC)c(OC)c1 67286738 RMQVNWMKCKCPLW-LJQANCHMSA-N 435.546 2.314 0 40 IEAB Cc1cc(C(=O)CN2CCC[C@@H]2C(=O)NCc2ccco2)c(C)n1[C@H]1CCS(=O)(=O)C1 72314202 OZLZQBSVAGJDBE-FXAWDEMLSA-N 447.557 2.021 0 40 IEAB CS[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)C[C@@H]1N1CCCC1 95946056 AIPGSTOJPNHOIR-RBUKOAKNSA-N 441.594 2.262 0 40 IEAB O=C(C1CC1)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)c4ccccn4)nn3c(O)c2C1 100234815 YEYCZIWKPIONBS-FQEVSTJZSA-N 446.511 2.492 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)cc1 101169613 KKZLDFGOINJPSF-IRXDYDNUSA-N 431.811 2.420 0 40 IEAB CC(C)CNC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219662656 DHCYKPPHOPMYCI-UHFFFAOYSA-N 429.498 2.246 0 40 IEAB COc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 225159079 NZKGBPNGOJVMAS-UHFFFAOYSA-N 434.499 2.156 0 40 IEAB Cc1ccccc1NC(=O)[C@H]1[C@@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 245230306 OYERLAYDOBTEPS-RCCCMVMJSA-N 435.524 2.305 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 249686467 GPYWZWZCCUUMRU-WPEKQRQUSA-N 434.876 2.250 0 40 IEAB CNC(=O)[C@@H]1CN(C(=O)c2ccccc2OCc2nonc2C)CCN1Cc1ccccc1 257247381 IYTSSXKGCRXUJI-NRFANRHFSA-N 449.511 2.030 0 40 IEAB CCn1cnc2cc(NC(=O)C[C@@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)ccc21 257254097 KBORBDNERMHIGE-KRWDZBQOSA-N 436.516 2.189 0 40 IEAB CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC)S(C)(=O)=O 260860748 SIOBSUSTFBOSKQ-GOSISDBHSA-N 445.585 2.221 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)c1 408645832 MODWQICPABDKRK-AWEZNQCLSA-N 428.441 2.247 0 40 IEAB CN(C[C@H](O)CO)C(=O)CN1CCCCCOc2ccccc2Oc2ncccc2C1 643576269 ZJXWJYLQOWXICZ-IBGZPJMESA-N 429.517 2.050 0 40 IEAB CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1 640256 JUDCBUXYMHSMDG-UHFFFAOYSA-N 445.541 2.126 0 40 IEAB CNc1nc(Nc2ccc(C3=NCCN3)cc2)nc(Nc2ccc(C3=NCCN3)cc2)n1 1687825 BGTQICOBJSRDDF-UHFFFAOYSA-N 428.504 2.100 0 40 IEAB CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccc(C)c(C)c1 2406745 XNSOUYPPUHBJIL-IBGZPJMESA-N 438.406 2.159 0 40 IEAB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)N[C@@H]1CCS(=O)(=O)C1 3458881 QSSNZICBOYFREJ-CQSZACIVSA-N 445.522 2.061 0 40 IEAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCC(C)CC3)cc2c1 4537603 NZIIRJYPRCZQPE-HXUWFJFHSA-N 426.521 2.381 0 40 IEAB Cc1ccc(S(=O)(=O)NCCCC(=O)O)c(C)c1N(C)S(=O)(=O)c1ccccc1 8754011 KKMRYRURZJDEMD-UHFFFAOYSA-N 440.543 2.272 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 9703888 MWMYJJPNKMQWHR-UHFFFAOYSA-N 446.481 2.297 0 40 IEAB COC(=O)c1ccc(CSc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 11456294 SZRARVDWTYFASX-UHFFFAOYSA-N 428.514 2.404 0 40 IEAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(OC)cc4)ncn3n2)cc1 11666438 PVXVSGSJABGNCX-UHFFFAOYSA-N 433.468 2.282 0 40 IEAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)Nc1ccc(N(C)C)cc1 11858158 JZGMFQKJVRFTLB-UHFFFAOYSA-N 437.543 2.237 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H](c3n[nH]c4ncccc34)C2)cc1 12088378 KOUPWIVPNCZBNW-INIZCTEOSA-N 427.530 2.205 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)cc2n1 12161069 FKLWQADXFPLAIX-SFHVURJKSA-N 428.514 2.443 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2nc(C)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1 12228336 FOSTYVASXVSVRJ-UHFFFAOYSA-N 435.415 2.455 0 40 IEAB CS(=O)(=O)N1CCN(C(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 12391936 FFDWVHLEMJQTIB-UHFFFAOYSA-N 431.514 2.301 0 40 IEAB COC(=O)[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 12799064 NIVXOTQABCDHQH-GOSISDBHSA-N 438.546 2.428 0 40 IEAB O=C(Nc1nn2cnnc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 13134234 VSQNNQHHPXOUEM-UHFFFAOYSA-N 440.510 2.185 0 40 IEAB C[C@@H]1Cc2ccccc2N1C(=O)CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14018314 MVZHPRCQQTZKBZ-OAHLLOKOSA-N 433.505 2.236 0 40 IEAB COc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 15967661 SVLBGGTVMQBQQR-RTWAWAEBSA-N 427.570 2.264 0 40 IEAB biogenic COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 16015735 CGPICDQANUZVHP-UHFFFAOYSA-N 428.919 2.335 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1c(C)noc1C 16153419 KXSSUDWBARSJLR-UHFFFAOYSA-N 429.520 2.275 0 40 IEAB COC(=O)C1CCN(C(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)CC1 20047862 COCFJEKOCUDRNL-UHFFFAOYSA-N 432.473 2.413 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1-n1ccnc1 20483919 ZFJWUHGRBLCSOP-UHFFFAOYSA-N 440.525 2.132 0 40 IEAB O=C(NCCNS(=O)(=O)c1ccc2ccccc2c1)[C@H]1CC(=O)N(c2ccccc2)C1 20716982 YFXBYNDPVDMAGN-IBGZPJMESA-N 437.521 2.287 0 40 IEAB O=C(NCCc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 20722458 FRNJXKMOGZQTBL-UHFFFAOYSA-N 438.915 2.465 0 40 IEAB Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)nc(C)n2)n1 23144459 LUVWBSHOUCKYQU-UHFFFAOYSA-N 426.546 2.240 0 40 IEAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3cccs3)C2)c1 23175913 QFCYXSWPNAYWOR-SFHVURJKSA-N 448.570 2.130 0 40 IEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCc1ccccc1CN1CCCC1 24190177 PWZFQVCWFBIZRG-UHFFFAOYSA-N 426.542 2.027 0 40 IEAB O=C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCN(c2ncccn2)CC1 24607869 SRWJPVOYFCRAAY-UHFFFAOYSA-N 427.464 2.235 0 40 IEAB Cc1ccc(-n2nc(C)c(NC(=O)C3CCN(c4ccc5nnnn5n4)CC3)c2C)cc1 24758514 UPZSQCRMYFKGBB-UHFFFAOYSA-N 431.504 2.485 0 40 IEAB CCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1OC 26779512 MKOVIOUEGODWAA-MOSHPQCFSA-N 435.505 2.365 0 40 IEAB O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 27128785 YRHKYVQJPRHKIY-KRWDZBQOSA-N 430.482 2.185 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36108727 FLWKQCFNBFFNOE-OAQYLSRUSA-N 439.537 2.053 0 40 IEAB C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cc(Br)ccc1Br 40135535 XRVKYIOAJDEZSD-DTWKUNHWSA-N 440.157 2.486 0 40 IEAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c32)c(OC)c1 40388980 NGDVEWOLZDDUGV-OCCSQVGLSA-N 441.488 2.088 0 40 IEAB CCOc1ccccc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(C)(=O)=O 44842691 KNSIHXUDNLRDMD-UHFFFAOYSA-N 428.514 2.353 0 40 IEAB O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCC[C@H](c2ccnc3ncnn23)C1 72334869 GWVMCCXUOWHTKT-KRWDZBQOSA-N 440.529 2.074 0 40 IEAB COc1cccc(N2C[C@H](C(=O)NCCn3c(C)nc4ccc(F)cc4c3=O)CC2=O)c1 79477635 XWKSCILHFRTLEE-OAHLLOKOSA-N 438.459 2.022 0 40 IEAB CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 84456612 SEPGHYKLSMLIDY-FQEVSTJZSA-N 441.553 2.425 0 40 IEAB COc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc(I)c1O 95346337 NGARPEOYKNLFAV-CQSZACIVSA-N 435.225 2.451 0 40 IEAB Cc1ccc(-c2noc(CN3CCN(CCN4C(=O)c5ccccc5C4=O)CC3)n2)cc1 96941308 YJGBGMQTOJHPDW-UHFFFAOYSA-N 431.496 2.459 0 40 IEAB COc1ccc(CCNC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220211499 KIAMRAWBVLFGMN-HNNXBMFYSA-N 436.530 2.226 0 40 IEAB CCc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)cc1 224160864 OVDLHGRIWSCMAX-UHFFFAOYSA-N 434.514 2.329 0 40 IEAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225459885 AJZSSIDJPFRDAE-GOSISDBHSA-N 431.558 2.395 0 40 IEAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2C)cc1 409159996 OVEXQJHSDUWPKL-MAUKXSAKSA-N 445.589 2.470 0 40 IEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 409240655 UTQLQIOMWGCVRM-OQLLNIDSSA-N 441.440 2.252 0 40 IEAB CC(=O)NCCCOc1ccc(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)cc1 585280060 JGLJUCXRQNYKTD-DEOSSOPVSA-N 446.519 2.373 0 40 IEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(-c2cccnc2)no1 604419366 FJMRWVAFXADYRV-QUZZAMIASA-N 433.468 2.290 0 40 IEAB FC(F)(F)c1nnc2ccc(N3CCN(c4ccc(-c5ccccn5)nn4)CC3)nn12 1775974555 VLMIHYSVPMUOLH-UHFFFAOYSA-N 427.394 2.322 0 40 IEAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)n2)n1 2655434 DAILTNDNQGQWON-UHFFFAOYSA-N 433.921 2.157 0 40 IEAB O=C(CNS(=O)(=O)c1ccccc1F)Nc1cccc(I)c1 3328738 PPLCCEBKTURWQJ-UHFFFAOYSA-N 434.230 2.347 0 40 IEAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccc(F)c1 3529900 DTLMOPBJSGWTAO-UHFFFAOYSA-N 440.880 2.169 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1=O 8776228 YELPJPILLGKADA-JOCHJYFZSA-N 438.440 2.007 0 40 IEAB O=C(COc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1)Nc1ccccc1 9234143 CTBRIAAIRCIWAB-UWJYYQICSA-N 437.496 2.352 0 40 IEAB Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 9689832 SRBRTZIZVQCZGC-UHFFFAOYSA-N 446.558 2.260 0 40 IEAB CC(=O)Nc1ccc2c(COC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc(=O)oc2c1 12541801 NALNCYMDIAYEQL-IGNZVWTISA-N 440.452 2.358 0 40 IEAB CCN(C(=O)CN[C@@H](C)c1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13039985 NARMXQPLMWFLDW-HNNXBMFYSA-N 439.491 2.010 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 13131847 JYTDAXOQHSXJQF-UHFFFAOYSA-N 434.470 2.241 0 40 IEAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 18180503 JSLUOVFOJJMTGM-XSDIEEQYSA-N 431.448 2.301 0 40 IEAB Cc1ccc2cc(C)c3nn(CCNC(=O)c4cc(-c5cccn5C)n[nH]4)c(=O)n3c2c1 19234290 DALJBHFZGKEWEA-UHFFFAOYSA-N 429.484 2.425 0 40 IEAB O=C(COC[C@H]1CCCCO1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19406988 VKCYBSRFGMFJOE-LVQVYYBASA-N 431.459 2.390 0 40 IEAB COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 20104857 YVILHLKRXKIQBM-OAHLLOKOSA-N 434.514 2.216 0 40 IEAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N(C)CC(=O)N3CCN(C)CC3)c(C)c12 20649508 MGYNALXZMBCGPM-UHFFFAOYSA-N 439.512 2.239 0 40 IEAB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(N5CCOCC5)nnnc4c23)CO1 20840482 XVCLKKDYPWMEDB-UHFFFAOYSA-N 442.545 2.159 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[nH]c(=O)c21 22610350 BVUAHLUYHOZHTF-CQSZACIVSA-N 425.489 2.388 0 40 IEAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1ccc(-n2cnnn2)cc1 23152844 OYEFPPLIPAUUIZ-UHFFFAOYSA-N 432.406 2.499 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCC(=O)NCc2ccc(C)c(F)c2)cc1 32856150 BFIWUTQOUPTIGK-HXUWFJFHSA-N 448.516 2.455 0 40 IEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(C(=O)N(C)C)cc1)C2=O 32905497 BSDNXENPEMZKEJ-IQMFZBJNSA-N 428.533 2.141 0 40 IEAB O=C(Cn1nc2c(c1NC(=O)Cc1noc3ccccc13)CSC2)NC[C@H]1CCCO1 35596859 IXRJOJVWRDXZQU-CYBMUJFWSA-N 441.513 2.248 0 40 IEAB C[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)n1nnc2ccccc2c1=O 44450567 SQFOBIWHEKFEQZ-ZDUSSCGKSA-N 432.406 2.115 0 40 IEAB CCCCN(C(=O)COC(=O)[C@@H]1SCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 72305589 ORZGDIQBVRASBV-CXAGYDPISA-N 431.601 2.438 0 40 IEAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)Cc2c[nH]nc2O)CCO1 72389105 IZOVALXIUOSCHG-RUZDIDTESA-N 448.523 2.253 0 40 IEAB CCCOc1ccc([C@H](C)NC(=O)CNS(=O)(=O)CCCOC)cc1OCCC 89960338 NDXSQEKBWCDDEC-INIZCTEOSA-N 430.567 2.397 0 40 IEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4n(n3)CCCO4)cc2)nc(C)n1 90583671 HMGFXMYEPGPHSG-UHFFFAOYSA-N 428.474 2.126 0 40 IEAB Cc1ccoc1C(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(Cc3cnn(C)c3)C[C@@H]2C1 96251458 CTMCHYZGGDBPCM-YKSBVNFPSA-N 439.560 2.202 0 40 IEAB CCOC(=O)CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 101262854 MFASYSIHSLHQSR-MQFSHEFBSA-N 436.555 2.009 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4[C@@H](c5cccs5)c5sc(=O)[nH]c5S[C@H]34)[C@H]2C1=O 102786303 DVRQTSNAVXBUAN-CBULDHQASA-N 448.547 2.056 0 40 IEAB CC(C)(C)N1C(=O)[C@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 103517926 WDDYSDDYCOLBBE-XMODTWTHSA-N 437.471 2.293 0 40 IEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N3CC(=O)Nc4ccccc43)s2)c1 223488143 LBDCVHJZMAFYMT-UHFFFAOYSA-N 429.483 2.246 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223785108 KQAFCXBAPPMTCN-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224066449 JAHMFBZCTNROLX-KRWDZBQOSA-N 449.548 2.188 0 40 IEAB COc1ccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cc1OC 224219710 NBUVBGRWLLNMQC-UHFFFAOYSA-N 446.576 2.461 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2C)cc1N1C(=O)CCC1=O 225170154 WHPGGDWQUIIULX-UHFFFAOYSA-N 432.498 2.323 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O 225192858 PPHUWFSDOFUTKG-OAHLLOKOSA-N 437.949 2.269 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@]3(C)C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCC1 245229749 FBXMFZTWOZKAKG-ZIQNOLRYSA-N 443.588 2.443 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 245230711 XHVCDDNFVURJPI-PCVLGWKGSA-N 429.561 2.053 0 40 IEAB CCN1CCN(C(=O)Cn2cccnc2=O)[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 257220615 DLMHINASOUEWHC-IBGZPJMESA-N 436.537 2.274 0 40 IEAB O=C(Cn1cc(C(=O)C(=O)N2CCCC2)c2ccccc21)NCc1ccc2c(c1)OCO2 408573456 SXXVSBJHNXTNDB-UHFFFAOYSA-N 433.464 2.492 0 40 IEAB COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1c(-n2cnnn2)sc(C)c1C 604419668 QQBVDJGASHKJDZ-UHFFFAOYSA-N 442.501 2.074 0 40 IEAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1=O 643555737 DMXBGDOGMDHCCD-VWLOTQADSA-N 443.588 2.334 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 2103956 VCAZERSLRQBALC-ZPBCLNFZSA-N 446.463 2.004 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3276705 JDPNIMYKXKRWPQ-UHFFFAOYSA-N 436.461 2.276 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1 3279903 DYGVBWOWVJGBEH-UHFFFAOYSA-N 428.413 2.057 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1 8723262 RTGSGJSXRDTZQU-UHFFFAOYSA-N 425.919 2.221 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)cc1 8764689 ZXPRRSWBQCPNJX-UEOMBKFZSA-N 434.492 2.349 0 40 IEAB COc1cc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)ccc1OCC(N)=O 8860312 DERMNZZZWYEQLE-NRFANRHFSA-N 448.483 2.387 0 40 IEAB O=C1NC(=O)c2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)ccc21 9069151 MCYCVEKQBAAZQF-MRXNPFEDSA-N 433.873 2.015 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 9127075 MFYYUDVMNFCXAT-IBGZPJMESA-N 449.507 2.362 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccc2c(c1)OCO2 9511228 BFOZZQZNPQENRH-QPJJXVBHSA-N 430.482 2.397 0 40 IEAB COc1ccc(C(=O)[C@H](C)OC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)cc1 9787681 NFHCLPXJSUERJK-AWEZNQCLSA-N 430.482 2.329 0 40 IEAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N[C@@]1(C)CCS(=O)(=O)C1 11444384 HHPSFLOYBQQMGT-SFHVURJKSA-N 444.868 2.293 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccc(F)cc2)c2c(C(N)=O)nc(-c3ccsc3)nc21 12276844 LKAKQLUDLYBHNY-UHFFFAOYSA-N 425.445 2.462 0 40 IEAB CN1CCN(C(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(CN(C)c3ccccc3)on2)CC1 12482699 RKTIGEBUBGFFPX-PMACEKPBSA-N 425.577 2.243 0 40 IEAB biogenic,in-vitro NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC2(c3ccccc3)CCC2)c1 12545679 NRFCRDFXCKIYIO-UHFFFAOYSA-N 429.542 2.022 0 40 IEAB O=C(Cn1ncc(=O)c2ccccc21)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 12747795 BZYFRCUTYLBPJO-UHFFFAOYSA-N 438.465 2.107 0 40 IEAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nnc(C)s3)c2)CC1 12850009 LFBGWOTUBKMDEI-UHFFFAOYSA-N 429.955 2.078 0 40 IEAB CCOCCCn1c(SCC(=O)N(CC)CC(=O)NC(C)C)nnc1-c1ccncc1 12905294 ZDQFFIADYCSTCW-UHFFFAOYSA-N 448.593 2.232 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1Br 12923082 RHONUCGXOUQZAK-UHFFFAOYSA-N 445.360 2.451 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(F)c(F)c(F)c3F)CC2)cc1 13097879 GZJGAFQDRZHWPL-UHFFFAOYSA-N 432.395 2.398 0 40 IEAB COCCNC(=O)[C@H](c1ccco1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13508528 UMSOQQWRVFBVKK-NRFANRHFSA-N 437.456 2.150 0 40 IEAB Cc1ccc(N2C(=O)N(CC(=O)N3CCN(C(=O)c4cccs4)CC3)C(=O)[C@@H]2C)cc1 14136664 PAIJOTDNHWLOHW-INIZCTEOSA-N 440.525 2.198 0 40 IEAB COCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccc(C)s1)CC2 19217011 FYQRNFWCSZXVDY-INIZCTEOSA-N 430.530 2.038 0 40 IEAB Cc1ccc(-c2cc(N)c(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)n2)s1 19217486 WQMHZNIMZWFPTH-UHFFFAOYSA-N 427.505 2.350 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)CCc3ccccc3)CC1)C2=O 19699345 PKHGBWCWJNROHA-UHFFFAOYSA-N 426.561 2.407 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCOCC1 19764134 SBFKTEBMNMNBOI-GOSISDBHSA-N 426.492 2.345 0 40 IEAB CCOC(=O)C1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 19930255 WWHWINCIJRQAIQ-UHFFFAOYSA-N 446.953 2.161 0 40 IEAB Cc1nc(N2CCOCC2)ncc1-c1ccnc(N2CCN(Cc3ccccc3)CC2)n1 19960260 FXAKPDCXFHZFKN-UHFFFAOYSA-N 431.544 2.401 0 40 IEAB O=C(Cc1cnc(-n2cccc2)s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 20745610 ATTBWZCCNOBRPG-UHFFFAOYSA-N 434.518 2.149 0 40 IEAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(N2CCOCC2)nc1 21521512 GQJYIVQJGONASC-SGGRRFJASA-N 426.561 2.256 0 40 IEAB COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 23056125 QYJFDEBWSAUYCW-UHFFFAOYSA-N 444.387 2.135 0 40 IEAB O=C(CN1CCN(Cn2nc(-c3ccccc3)oc2=O)CC1)Nc1ccccc1Cl 30587313 OSOCLCGUCZZUPK-UHFFFAOYSA-N 427.892 2.371 0 40 IEAB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)o3)c2)n1 31788701 CVLUYAIGFGOODN-UHFFFAOYSA-N 432.458 2.145 0 40 IEAB O=C(Nc1cccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1)c1cccs1 35344135 MHECZSOIXVGUGO-UHFFFAOYSA-N 426.542 2.381 0 40 IEAB Cc1noc(C)c1CN1CCN([C@@H](C(=O)O)c2c(C(=O)O)n(C)c3ccccc23)CC1 36358224 PPZPBTGNRCAQAG-HXUWFJFHSA-N 426.473 2.425 0 40 IEAB COc1cc2nc(CN(C)CC(=O)Nc3ccc(F)c(F)c3F)[nH]c(=O)c2cc1OC 36403785 HCCPILAUQCUTEG-UHFFFAOYSA-N 436.390 2.428 0 40 IEAB O=C(Cn1cc(Br)ccc1=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 48314588 LIYCVTRCPKOHJV-UHFFFAOYSA-N 446.223 2.176 0 40 IEAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1 72295793 JJHXCOPZRZMCNJ-UHFFFAOYSA-N 433.512 2.353 0 40 IEAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)c1 72377253 VYWGPYGQHYMHGC-QGZVFWFLSA-N 428.518 2.384 0 40 IEAB CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(N4CCCCS4(=O)=O)cc3)ccc21 77200723 FBAKPMZUCAEZMC-UHFFFAOYSA-N 449.554 2.326 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(OC)c(C)c2)c1 78729338 GJPGOGLXVDPTQX-UHFFFAOYSA-N 447.557 2.080 0 40 IEAB CC(C)(CN1CCn2ccnc2C1)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 95992962 QLAKDDKLPGRDTE-HXUWFJFHSA-N 429.540 2.054 0 40 IEAB O=C(NC1CCCC1)[C@H]1[C@@H]2C(=O)N(C3CCCC3)[C@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 245229528 AJUGEODEELKVEN-RCCCMVMJSA-N 441.572 2.197 0 40 IEAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)CN1CCOCC1)[C@H]2Cc1ccccc1 257251596 JRKPOJCWBXEWHO-WHGMEAMLSA-N 425.573 2.320 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 257286511 PLWFOIIEDNVIBA-MCLIINAXSA-N 427.501 2.242 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccccc1I 408622362 OZTMPPVSVUZSJO-YCBBYDHLSA-N 448.260 2.283 0 40 IEAB O=C(Cc1ccccn1)N1CCO[C@@]2(C1)C(=O)N(CC1CCOCC1)C[C@@H]2c1ccccc1 585106954 LVJCIGDAXAUHOC-ZEQKJWHPSA-N 449.551 2.274 0 40 IEAB Cc1noc(C)c1C(=O)N1CCc2nc3n(c(=O)c2C1)[C@H](CNC(=O)CC(C)C)CCC3 585110093 IHWXBMTVKCZXIA-INIZCTEOSA-N 441.532 2.086 0 40 IEAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccc(Br)cc1)C2)N1CCCCCC1 1547201120 LAAIIYICKNCJTP-UHFFFAOYSA-N 434.294 2.198 0 40 IEAB O=C(Cn1cnc(C2CC2)cc1=O)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087144471 XPYZNHOIBMKBDJ-WMLDXEAASA-N 433.434 2.272 0 40 IEAB COc1cc(NC(=O)CSc2nnnn2-c2ccc(NC(C)=O)cc2)cc(OC)c1 1361364 ILDBOZGQFIUEQO-UHFFFAOYSA-N 428.474 2.369 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 3337457 HXRCJFYZCNWAHE-UHFFFAOYSA-N 437.930 2.248 0 40 IEAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)NC(N2CCN(c3ccc(F)cc3)CC2)=N1 8758267 NKVGQVGPUJPDOF-SFHVURJKSA-N 429.883 2.484 0 40 IEAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n2n1 9126790 FPEUMKRXFXUONS-INIZCTEOSA-N 430.555 2.409 0 40 IEAB Cc1cccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 9507321 FRYMVJDQFTWSRR-GOSISDBHSA-N 446.525 2.257 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)C1=O 9737525 FAJQYFMJWDVZOK-NRFANRHFSA-N 429.498 2.122 0 40 IEAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)C(=O)NC(=O)Nc2ccccc2)c1 9742768 PXBKIQZLFOPTOB-LLVKDONJSA-N 439.877 2.142 0 40 IEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)C12CC3CC(CC(C3)C1)C2 9985250 PDDXTKQJFITIRF-UHFFFAOYSA-N 430.526 2.444 0 40 IEAB O=C(Nc1cccc2cccnc12)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030783 GDPTXXHBCVPMIP-QGZVFWFLSA-N 430.507 2.448 0 40 IEAB CN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccccc4OC(F)F)CC3)cc2C1=O 12737144 PKINEYZGAGCNHC-UHFFFAOYSA-N 443.406 2.112 0 40 IEAB COCCCN(C(=O)c1cccc(C)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12776796 UMVUEEOVXURFNM-UHFFFAOYSA-N 436.512 2.467 0 40 IEAB O=C(NC1=NCCS1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 12822160 JHMBIQMPOVFPMF-SECBINFHSA-N 438.394 2.130 0 40 IEAB CCCN([C@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 12918322 DGLVVVCDKBHGSK-GFCCVEGCSA-N 426.926 2.205 0 40 IEAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 13012219 FSSWKDPOZDDGAT-UHFFFAOYSA-N 440.481 2.444 0 40 IEAB COc1c(Br)cc(Br)cc1CNC[C@@H](O)CN1CCOCC1 13101328 PCLLFCVQQPPMDQ-CYBMUJFWSA-N 438.160 2.003 0 40 IEAB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N 13137146 FJXNESBZDLIUBF-UHFFFAOYSA-N 443.485 2.194 0 40 IEAB Nc1nc(N)nc(CSc2nc3sc4c(c3c(=O)n2C[C@H]2CCCO2)CCCC4)n1 17707342 ZWSAGOHBPAFYRV-SNVBAGLBSA-N 445.574 2.158 0 40 IEAB Cc1nc(C)c(C(=O)N[C@@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)s1 19560221 ZSAAJTZLQBYGGY-SFHVURJKSA-N 439.541 2.394 0 40 IEAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](c2nc(CNC)cc(N(C)C)n2)C1 19709619 CTGUUCYQZZNPFQ-MRXNPFEDSA-N 445.589 2.075 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(SC)ncc3Cl)CC2)cc1 22990653 VZLGOFGFWZFHGO-UHFFFAOYSA-N 442.950 2.007 0 40 IEAB O=C(NCc1ccnc(N2CCOCC2)c1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 25291419 HMANKDNGWVMZOE-VOTSOKGWSA-N 434.540 2.486 0 40 IEAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(O)c2)N1[C@H]1CCS(=O)(=O)C1 27757611 RMZWSYCVHIGJJN-RBZFPXEDSA-N 425.466 2.220 0 40 IEAB O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C1 31772940 LKCUXAKHBCBEPE-CQSZACIVSA-N 449.959 2.102 0 40 IEAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCC#N 33735600 NBVIZYFZFIVBAA-GDNBJRDFSA-N 425.397 2.460 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1CN1CCOCC1 39981701 HYGRRGCWSWURDR-XMMPIXPASA-N 434.540 2.364 0 40 IEAB COc1ccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 44900516 LDDZZQDZMAGVJC-UHFFFAOYSA-N 449.504 2.086 0 40 IEAB CCc1c(C(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)[nH]c(C)c1C(C)=O 58202634 IHXGAIZFIPMFSB-IRXDYDNUSA-N 430.593 2.393 0 40 IEAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1C(=O)c2ccccc2CS1(=O)=O 60278451 CCVDGZXELOZIMS-UHFFFAOYSA-N 432.498 2.038 0 40 IEAB COc1ccccc1N1C[C@H](C(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)CC1=O 95474686 BAULYBCOTPKIMX-OAHLLOKOSA-N 438.459 2.022 0 40 IEAB CN(C)CCN1[C@H]2CCN(C(=O)C3CCCC3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145909 ISAMZAHLEVIJDF-OALUTQOASA-N 435.590 2.181 0 40 IEAB Cc1ccc(CC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)cc1 96251303 JKWDJLFDLNKZSX-RDGATRHJSA-N 437.588 2.100 0 40 IEAB C[C@@]12CC[C@H](C[C@@H]1C(=O)NCCCN1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 100180143 QRNRQACHRGPSAP-DQHAIFDPSA-N 427.545 2.170 0 40 IEAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222421618 MLFDCTJDUJSHQA-INIZCTEOSA-N 435.521 2.063 0 40 IEAB Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)CN(C)S(C)(=O)=O)cc1 222893650 ZAFFAADNOUADJI-KRWDZBQOSA-N 449.548 2.059 0 40 IEAB CN([C@@H](C(=O)NCc1ccc(CN2CCCC2=O)cc1)c1ccccc1)S(C)(=O)=O 223143145 YHHXNIYBYMMGDG-OAQYLSRUSA-N 429.542 2.058 0 40 IEAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc3c(c2)OCCO3)c1C 224844102 WQMPYBZYLFCZPN-UHFFFAOYSA-N 449.481 2.311 0 40 IEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 225281742 CIAMOJCHHJWZTJ-QZTJIDSGSA-N 434.514 2.196 0 40 IEAB Cc1cc(C)cc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NCCN(C)C)n4CC3)C2)c1 585106806 SKLFOKDKRDSPPO-XMMPIXPASA-N 438.576 2.055 0 40 IEAB CCOCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 585272036 IPSYWCPJRJOSPA-DQEYMECFSA-N 425.573 2.469 0 40 IEAB O=C1CN(C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)C(=O)N1C1CC1 618255805 JEKYLUCLUAZAPX-UHFFFAOYSA-N 448.364 2.090 0 40 IEAB COC[C@@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)[C@@H]1CCCO1 1227424904 BJJHXIZSEUBEGH-TVFCKZIOSA-N 443.466 2.427 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)N3CCCN(c4ccc5nnc(C)n5n4)CC3)CC2=O)cc1C 1775967133 GVCLHJMLINPXHA-LJQANCHMSA-N 447.543 2.141 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CCOCCN(C)S(=O)(=O)c2ccc(C)cc2)cc1 2030381 SJNUNARYHLWTEG-UHFFFAOYSA-N 440.587 2.261 0 40 IEAB O=C(CSc1nnnn1C1CCCC1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 8314964 KLBHTWBEOVBWCA-INIZCTEOSA-N 427.596 2.229 0 40 IEAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 8945473 PGCXXYSHDWDDJH-CHWSQXEVSA-N 432.860 2.435 0 40 IEAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc([C@@H]2CCS(=O)(=O)C2)n1C 9477329 SEDKDIFHBRPSBC-GFCCVEGCSA-N 448.526 2.397 0 40 IEAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1cc(Cl)c2c(c1)OCCCO2 9684740 KTVAUWQYAZKYFB-UHFFFAOYSA-N 429.860 2.211 0 40 IEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1C(=O)NCCc1ccccc1 9782061 DULVSKLTHOZVPK-UHFFFAOYSA-N 434.496 2.462 0 40 IEAB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCCc1ccc2c(c1)OCCO2 11364111 GOJUAEBJQCJYJQ-UHFFFAOYSA-N 425.510 2.467 0 40 IEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)[C@H](C)c2ccccc2)C[C@@H]1C(=O)N(C)C 12125257 UMTBARNHTLZBSZ-VPWUQYKFSA-N 449.551 2.460 0 40 IEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2)C1 12139989 CWYODFMHGDDBGF-KBPBESRZSA-N 441.509 2.489 0 40 IEAB CC[C@H](C(=O)N1CCC[C@@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1)c1ccccc1 12158867 CHKNFKLLNGPWBQ-SJORKVTESA-N 427.530 2.428 0 40 IEAB C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccc(F)cc1 13038108 UCBMUGOMNLZSPM-CQSZACIVSA-N 441.475 2.288 0 40 IEAB COc1ccc(CCNC(=O)c2nn([C@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1OC 13690489 OVAXPOADEYAFPD-INIZCTEOSA-N 447.557 2.111 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN([C@H](C)C(=O)N(C(C)C)C(C)C)CC2)c1 15025980 MCCLJBUZAUWAQA-QGZVFWFLSA-N 441.594 2.044 0 40 IEAB Cc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1S(=O)(=O)N1CCOCC1 15536824 LHGKXSGDHHFKOY-KRWDZBQOSA-N 437.587 2.110 0 40 IEAB CCN(C(=O)[C@@H](C)OC(=O)c1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 16859834 GSDAOJHRFFXLGY-AEFFLSMTSA-N 433.530 2.070 0 40 IEAB COc1cccc([C@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2nccn2C)c1 17522352 NLFXYHWHXLKVQT-FQEVSTJZSA-N 426.498 2.381 0 40 IEAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)c4n[nH]c(O)n4)CCO3)c2)cc1 19212703 ATOBERQKWSOUPS-DEOSSOPVSA-N 449.511 2.028 0 40 IEAB CCOC(=O)c1sc(NC(=O)CCN2CCN(CC)CC2)c(C(=O)OCC)c1C 19790500 KIXWJXQGZKHFMX-UHFFFAOYSA-N 425.551 2.376 0 40 IEAB COc1ccccc1CCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 20723732 XWEKIRDUICVCKL-HXUWFJFHSA-N 435.524 2.352 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC2CC2)c(Br)c1 28324952 FDACTYYKPWBDHW-CQSZACIVSA-N 445.335 2.058 0 40 IEAB O=C(CCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)N[C@@H]1CCS(=O)(=O)C1 33586039 YPBORMQLVTVVNA-ZMTLZGASSA-N 428.919 2.070 0 40 IEAB NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 222629058 UJNASWQZBNCZEJ-UHFFFAOYSA-N 445.541 2.343 0 40 IEAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 222694325 DIVNUZITUADPOW-AWEZNQCLSA-N 448.497 2.220 0 40 IEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)n2)cc1 225684255 KAWCGMSMXUQRQQ-UHFFFAOYSA-N 432.483 2.137 0 40 IEAB CC(=O)N(C)[C@H]1CC2(CCN(C(=O)c3cc(-c4ccccc4F)n[nH]3)CC2)OC[C@]1(C)O 257291428 QGYFRHFVTNRROJ-UNMCSNQZSA-N 444.507 2.209 0 40 IEAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)o1 257292319 QKYOSDLPYUIJRS-KRWDZBQOSA-N 438.484 2.039 0 40 IEAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@]45[C@H]6C(=O)[C@H]7[C@H]8C[C@@H]([C@@H]74)[C@H]5[C@H]86)CC3)cc2NC1=O 503357395 UGTOIOWXOJUHKP-YDAYLDPVSA-N 446.503 2.154 0 40 IEAB O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1cccc(C(F)(F)F)c1 575605285 IVVXBUWJOZNPHC-UHFFFAOYSA-N 436.438 2.257 0 40 IEAB O=C(O)c1cc(S(=O)(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)ccc1F 585396738 ARSDIGWXQPQPJS-QGZVFWFLSA-N 445.465 2.214 0 40 IEAB C[C@]1(c2ccc(C(=O)N[C@H]3CCc4nc(-c5ccccc5)ncc4C3)cc2)NC(=O)NC1=O 673963015 APRKKDXYBIZCIZ-UQBPGWFLSA-N 441.491 2.486 0 40 IEAB Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O 676653405 ZAIUEMWQEZGVFI-NYHFZMIOSA-N 427.505 2.168 0 40 IEAB CC[C@@H](C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 903413 CRYUUJXIJCHLNO-ROUUACIJSA-N 444.536 2.087 0 40 IEAB COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1361961 QMTOKVNWQJBCIT-UHFFFAOYSA-N 446.525 2.184 0 40 IEAB COC(=O)CN(c1nc(C)c(Br)c(OC)n1)S(=O)(=O)c1ccc(C)cc1 2269521 IKGXIBFZRDVKPX-UHFFFAOYSA-N 444.307 2.233 0 40 IEAB COc1ccccc1/C=c1\sc2nc(-c3cc(OC)c(OC)c(OC)c3)nn2c1=O 2403461 KYKDFMAWENIXBT-BOPFTXTBSA-N 425.466 2.400 0 40 IEAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)cc2C1=O 3363677 QKZOOSKEDAKIRA-UHFFFAOYSA-N 438.436 2.285 0 40 IEAB O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCN(c2ccccn2)CC1 4792943 LENHSULMRZTTGF-UHFFFAOYSA-N 427.464 2.036 0 40 IEAB O=C(CN[C@H](c1ccccc1)c1cccs1)N1CCN(CC(=O)N2CCCC2)CC1 7749892 NIWRNJBYRCIELV-HSZRJFAPSA-N 426.586 2.194 0 40 IEAB CCCCNC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 8670831 PKBNCZSZFFPERS-UHFFFAOYSA-N 448.497 2.332 0 40 IEAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)NN1C(=O)NC2(CCCCC2)C1=O 9315036 OCDZRAKWVRLAKA-UHFFFAOYSA-N 441.517 2.053 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC2)c(F)c1 9378903 INNHAURFNRJYGH-UHFFFAOYSA-N 444.507 2.322 0 40 IEAB O=C([C@@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c2ccccc2O1)N1CCOCC1 9477388 TWKWTTFUKXYRPN-UXHICEINSA-N 428.872 2.297 0 40 IEAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 9665270 JQLWEMVVROGQKU-UHFFFAOYSA-N 432.498 2.120 0 40 IEAB Cc1ccc(Cn2c(=O)c3c(nc4n(CCCn5ccnc5)c(C)cn34)n(C)c2=O)cc1 10103691 HHIAEWDGEVDRNX-UHFFFAOYSA-N 431.500 2.101 0 40 IEAB CCn1c(CN2CCn3cccc3[C@@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12559363 AVVIQDUMQBGPGN-KRWDZBQOSA-N 443.573 2.455 0 40 IEAB O=C(NC1=NCCS1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 12777044 ZQRLMDFMBAQOQY-CYBMUJFWSA-N 432.365 2.211 0 40 IEAB CC(=O)N[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 12909827 VYAWOWMYTOHOMN-NRFANRHFSA-N 429.542 2.095 0 40 IEAB CCN(CC)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 13287475 QXURCPGHEWEPPV-ZIAGYGMSSA-N 446.953 2.163 0 40 IEAB COCCN(C(=O)CNC(=O)c1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccco1 13506087 OHXMTCLOKUOYKY-LJQANCHMSA-N 433.530 2.346 0 40 IEAB CCc1nnc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)s1 13956220 BDYJQJVEJOXBPI-SNVBAGLBSA-N 449.537 2.417 0 40 IEAB COc1ccc(CCNC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1OC 15739118 ZCUGTGVZKABMRJ-UHFFFAOYSA-N 436.530 2.372 0 40 IEAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@@H](C)C(=O)NCCCC(=O)O)c(C)c3cc12 16025509 AVWHAXHQKMLLCM-AWEZNQCLSA-N 442.468 2.493 0 40 IEAB biogenic Cc1nonc1C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)C2 19558766 NTOYRGCUVCRVGM-SFHVURJKSA-N 438.463 2.136 0 40 IEAB CCc1cc(C(=O)N2CC[C@@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)on1 19695066 VFEBJTHHOBTXKB-MRXNPFEDSA-N 434.500 2.489 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccc(F)cc3)CC1)C2=O 19701361 USDXKLNMSIUBDO-UHFFFAOYSA-N 444.551 2.402 0 40 IEAB Cc1nc(C2CCN(C(=O)CC[C@@H]3CCC(=O)N3)CC2)nc2c1CCC(=O)N2CC(C)C 19739328 MENUCIUAOXBXAH-SFHVURJKSA-N 441.576 2.485 0 40 IEAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 19932569 CWUHMEIFVBOQHW-UHFFFAOYSA-N 449.554 2.399 0 40 IEAB COC(=O)C1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)CC1 22396694 MDVJLGGJRVELGZ-UHFFFAOYSA-N 440.518 2.494 0 40 IEAB COCCNC(=O)CN1CCN(Cn2nc(Nc3ccccc3C)sc2=S)CC1 22924490 PJDAHKTUHVCFTH-UHFFFAOYSA-N 436.607 2.064 0 40 IEAB Cc1cccc(C)c1NC(=O)CN1CCN(CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 23257011 HQTQFPNJBNWFTD-UHFFFAOYSA-N 441.576 2.318 0 40 IEAB CC(=O)c1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 25408542 JJQMOHCCQLBNAH-UHFFFAOYSA-N 435.933 2.488 0 40 IEAB COc1ccc(C(=O)N2CCN(C(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)cc1 29152157 GYGYAXGFTDCGBF-OAQYLSRUSA-N 437.496 2.411 0 40 IEAB CCOc1cc([C@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1cccc(OC)c1 38311080 QNHAZTXNMAMBSX-QGZVFWFLSA-N 437.456 2.287 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC 46698527 WJQJCGNIIZJLHV-GOSISDBHSA-N 432.542 2.463 0 40 IEAB Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3)n2CCc2ccccc2)n(C)c1=O 65501978 HMZJUSHMGYWQQV-UHFFFAOYSA-N 449.536 2.407 0 40 IEAB O=C(C[C@@H](CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)O)Nc1ccccc1 71283374 ZLGGNOVUYKRFSP-SFHVURJKSA-N 425.485 2.263 0 40 IEAB O=C(CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)N1CCCCCC1 72329724 LBZVIRAWABSKJF-UHFFFAOYSA-N 425.445 2.194 0 40 IEAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)CCNC1=NC(=O)CS1 72370288 GHKGIXDISMZKKP-CYBMUJFWSA-N 444.582 2.404 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3C[C@@H]3C3CCCCC3)cc2)CC1 96014076 AEKMDMWPNDMKNY-RBBKRZOGSA-N 447.601 2.486 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 224542534 DCVVMWZOTYCBPM-CYBMUJFWSA-N 436.486 2.076 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225223337 CXYWDYOWGTXBGQ-SFHVURJKSA-N 431.558 2.233 0 40 IEAB CN(CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 226036582 HFVVIVLHLSMIMG-UHFFFAOYSA-N 433.505 2.250 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@@H]1Sc1[nH]c(=O)sc1C21CCCCC1 247430233 ULJQFMBPPQGCOO-KSFHKIBNSA-N 434.539 2.064 0 40 IEAB Cc1nc(C)n(CCC(=O)N2CCO[C@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)n1 257343321 ZSKILVIIUAPSBY-NRFANRHFSA-N 434.500 2.046 0 40 IEAB CCn1cc(CN2C[C@@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 306140382 URQGBORHBNWFET-LADGPHEKSA-N 432.528 2.090 0 40 IEAB Cc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1C 409139118 ABWKBFXKTUBYOL-UHFFFAOYSA-N 439.559 2.104 0 40 IEAB Cc1cc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OC[C@H](C)NC(=O)C2)on1 643559401 VBIHPKUNEKAROY-AWEZNQCLSA-N 448.907 2.186 0 40 IEAB O=S(=O)(Cc1ccccc1)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1775972235 DRDQKEKFRXQDDT-UHFFFAOYSA-N 440.451 2.185 0 40 IEAB CCOC(=O)[C@](NC(=O)N(C)C)(Nc1sc2c(c1C(N)=O)CCCC2)C(F)(F)F 2280985 RKBPRFMTLYZJPT-MRXNPFEDSA-N 436.456 2.231 0 40 IEAB COc1cc(C(C)=O)ccc1COc1ccc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc1OC 2646501 NQOXPGXXTGKKGE-ZDUSSCGKSA-N 444.440 2.226 0 40 IEAB CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)NC(=S)N[C@]1(O)C(F)(F)F 6147991 USWKMVUNMKVHGY-GIPNMCIBSA-N 427.242 2.398 0 40 IEAB CCOCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C 8725065 KIOKIVYOFFJMFV-CQSZACIVSA-N 444.923 2.392 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCCCCC3)c2)C[C@@H](C)O1 9137438 RFBSFUPKBGUYCL-IAGOWNOFSA-N 438.546 2.044 0 40 IEAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2N1 9203505 OKYQKJFTIGJDBE-HNNXBMFYSA-N 429.498 2.281 0 40 IEAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc12 9435298 NXZWCEUVWLBVGQ-QGZVFWFLSA-N 441.505 2.374 0 40 IEAB CCn1nc(C(=O)N2CCC[C@@H](c3cc4nc(C)cc(O)n4n3)C2)c2ccccc2c1=O 12134536 GTKMOGVFHCFTRJ-OAHLLOKOSA-N 432.484 2.493 0 40 IEAB O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@@H](O)COc2cccc3ccccc23)n1 12811787 JENVDVOXJLQNOR-QGZVFWFLSA-N 443.463 2.105 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)O 12883501 HORMGZBYZMQGQC-KMNYLQIESA-N 447.557 2.155 0 40 IEAB biogenic COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NCCc3cccs3)CC2)c1 12943442 DOJUAHQMDHBSTH-UHFFFAOYSA-N 439.559 2.024 0 40 IEAB COC[C@H](C)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 12987960 ZBINNOZNMDNNCT-LBPRGKRZSA-N 433.461 2.233 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NS(=O)(=O)c2c(C)noc2C)c1 13040792 RNWOBMKOYWPQNX-UHFFFAOYSA-N 430.552 2.189 0 40 IEAB CCc1nnc(NC(=O)CSC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)s1 13573087 DQVQHAFGZSLWAE-NWDGAFQWSA-N 435.600 2.338 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)ccc21 13610348 WNBYWSAJEZWAIY-UHFFFAOYSA-N 446.481 2.224 0 40 IEAB CC[C@@]1(C)NC(=O)N(NC(=O)COc2ccc(Br)cc2Br)C1=O 14170492 HGXSDQKBGLDSPW-CQSZACIVSA-N 449.099 2.342 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3cnc(-c4cccnc4)nc3C)CC2)cc1 19552875 OVIUFLNYACEGGE-UHFFFAOYSA-N 439.541 2.362 0 40 IEAB O=C(NCCO)c1sc2ccccc2c1[C@H]1CN(CC(=O)N2CCCCC2)CCO1 19697574 POKLDWBXSDNTEO-QGZVFWFLSA-N 431.558 2.009 0 40 IEAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(OC)cc1OC)C3 19816923 SDRAKGRQDYSNMA-NSHDSACASA-N 428.470 2.319 0 40 IEAB Cn1cnc2c1c(=O)n(CCCOC(=O)CCc1ccc(-c3ccccc3)o1)c(=O)n2C 21461611 SOQXAPVTVLHJSZ-UHFFFAOYSA-N 436.468 2.260 0 40 IEAB COc1ccc([C@H](CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)NC(C)=O)cc1 21521920 VTLYLMLJFNNHTO-FQEVSTJZSA-N 431.514 2.342 0 40 IEAB CC(C)OC(=O)[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@@H]1c1ccc(F)cc1 72342755 NXENEYRGDWUJLX-LYHRCORUSA-N 445.491 2.387 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccc4)nc(C)n3)CC2)cc1C 90607859 PHUSTXGFDRVDDW-UHFFFAOYSA-N 427.530 2.404 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC[C@H](O)c2ccc3c(c2)OCO3)cc1 90612562 VTIYMVWIPJBUCR-SFHVURJKSA-N 434.514 2.299 0 40 IEAB CN(CCCNS(C)(=O)=O)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 95434302 HXIXSIWEHQCDLS-SFHVURJKSA-N 427.617 2.155 0 40 IEAB COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)cc(OC)c1OC 104049589 ISXOWZYGLYPNPI-YBBCZWHLSA-N 440.452 2.226 0 40 IEAB Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1Cl 224172961 KJGIDWNIJFIILH-UHFFFAOYSA-N 438.933 2.478 0 40 IEAB O=c1c2c(nc3n1CC1(CCN(Cc4ccsc4)CC1)C3)CCN(c1ncccn1)C2 306124346 BNFNWBJVVIYDTO-UHFFFAOYSA-N 434.569 2.496 0 40 IEAB COC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3nnc4ccsc4c3=O)CC2)cc1 390829753 GJAXLFNPPGJNHL-UHFFFAOYSA-N 449.514 2.057 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1cc(C(=O)OC)ccc1C)c1ccc2c(c1)OCO2 408705334 CKOXXBOEVHZSDT-UHFFFAOYSA-N 434.470 2.305 0 40 IEAB CC(C)CCc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc1O 1323482 RRPZKGOVHLYLHU-GJZGRUSLSA-N 444.557 2.376 0 40 IEAB biogenic O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 2952172 SWAZLLQZWWMZFL-UHFFFAOYSA-N 446.429 2.448 0 40 IEAB CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCCN(C)C)cc2c1 4133597 DVHQOESMPGRVEV-UHFFFAOYSA-N 433.622 2.117 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2cnc(SC)n2-c2ccccc2)NC(=O)N[C@@H]1C 9201904 OLBCBZHUEWCMQK-GFCCVEGCSA-N 430.486 2.270 0 40 IEAB C[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccccc1F 9447577 ONCSEGNCWWQTKI-KVYZTJHFSA-N 427.501 2.259 0 40 IEAB CC(C)c1nnc(NC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 12085691 RTVVCCHYUYWESB-FQEVSTJZSA-N 429.502 2.131 0 40 IEAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NCc1ccccn1 12233391 YPKQZWYTLDVNJM-INIZCTEOSA-N 436.472 2.470 0 40 IEAB CCc1cccc(N2C[C@@H](C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)CC2=O)c1 12922840 ZNINACZHKPSWEC-QFIPXVFZSA-N 448.567 2.063 0 40 IEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(S(=O)(=O)/C=C/c3ccccc3)CC1)C2=O 13062904 ZDDAMJAIBISTMH-UYRZDUHGSA-N 446.573 2.063 0 40 IEAB COc1ccc(C(NC(=O)CN2CCN(C(=O)C3CC3)CC2)c2ccc(OC)cc2)cc1 13987772 OPWUKUGJJGVXSK-UHFFFAOYSA-N 437.540 2.464 0 40 IEAB Cc1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1S(=O)(=O)N(C)C 15633920 NBBDLCGNEPQCDH-UHFFFAOYSA-N 426.498 2.154 0 40 IEAB CC(C)(C)NC(=O)NC(=O)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O 16043792 SSDNGAHMMFHYQY-UHFFFAOYSA-N 436.512 2.387 0 40 IEAB COc1ccc(-c2nnc3n(Cc4ccc(Cl)cc4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 17144417 QHUFUXBPPNFOQV-UHFFFAOYSA-N 436.859 2.448 0 40 IEAB CC(C)c1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 19463451 GYZDPCBMKQSPTD-HOTGVXAUSA-N 429.546 2.151 0 40 IEAB Cc1nc(N2CCC(NC(=O)CCCC(=O)N3CCc4ccccc43)CC2)[nH]c(=O)c1C 19555188 LIYYQQOOIGRZDG-UHFFFAOYSA-N 437.544 2.231 0 40 IEAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O 19699611 RYLVTZBZZXIYLG-SFHVURJKSA-N 432.565 2.271 0 40 IEAB CCc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(C)cc3)CC2)s1 21149864 DCIMECZTLHJFBB-UHFFFAOYSA-N 432.575 2.101 0 40 IEAB CCCCn1nnnc1NCc1cc(Br)c(OCC(N)=O)c(OCC)c1 22110907 CKBDIUAHZIJHOJ-UHFFFAOYSA-N 427.303 2.111 0 40 IEAB O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23135181 JBJQGPKFFKMPMV-UHFFFAOYSA-N 429.887 2.482 0 40 IEAB CSc1ccc(N2C[C@@H](C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)CC2=O)cc1 24924600 ORTZTSAOLGEEBJ-RCDICMHDSA-N 438.509 2.260 0 40 IEAB CSc1ccc(N2C[C@H](C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)CC2=O)cc1 24924605 ORTZTSAOLGEEBJ-JLCFBVMHSA-N 438.509 2.260 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 32957431 AJISQVCPYZDIRP-APWZRJJASA-N 444.528 2.335 0 40 IEAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)o2)cc1 35597581 QNEUOBNVSDGJIT-UHFFFAOYSA-N 449.529 2.425 0 40 IEAB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 60335817 VKGHOKAVRYZQMF-AWEZNQCLSA-N 436.534 2.257 0 40 IEAB Cc1c([C@H]2C[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)N(C)S(=O)(=O)N2)cnn1C 72335066 XFCVRXLXCNAGPB-HIFRSBDPSA-N 432.333 2.254 0 40 IEAB CC1=NN(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cnc(C)cn3)CC2)CC1 72392211 SREADLISJULVKQ-NRFANRHFSA-N 426.565 2.490 0 40 IEAB Cc1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc(S(=O)(=O)N(C)C)c1C 95424593 SUOAMFQFIGDKJF-LJQANCHMSA-N 443.525 2.461 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)n1 95475441 WWRFKAPOOPRXKQ-UHFFFAOYSA-N 445.497 2.260 0 40 IEAB CC[C@@H](C(=O)Oc1ccc(N(C)C2=NS(=O)(=O)c3ccccc32)cc1)N1CCOCC1 95481867 CRTRUNZRLAQCLS-IBGZPJMESA-N 443.525 2.288 0 40 IEAB COc1ccccc1N(CCCC(=O)NCCCN1CCC[C@@H](C)C1)S(C)(=O)=O 225196704 LRRUEGOWFSMPLZ-GOSISDBHSA-N 425.595 2.480 0 40 IEAB C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 248239594 GKDVANQPFQFGLX-HGQNUCHOSA-N 425.529 2.459 0 40 IEAB Cc1cc(N2CCC[C@@](O)(CNC(=O)Cn3c(C(F)(F)F)nc4ccccc43)C2)ncn1 257299130 ROVOVILUXRRVRI-HXUWFJFHSA-N 448.449 2.301 0 40 IEAB COc1ccc(CN2C[C@@]3(CCN(C(=O)N(C)C)C3)Oc3ccccc3S2(=O)=O)cc1 306130110 IWIYXCQGZBHGNH-QFIPXVFZSA-N 445.541 2.405 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 409387819 BQAMLCVAIOFUGV-QGZVFWFLSA-N 446.525 2.449 0 40 IEAB C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)[C@@H]1Cc2ccccc2O1 585098191 RNBINVBJSAWKBS-IERDGZPVSA-N 431.496 2.044 0 40 IEAB NC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1 9508572 UKUGQDKLPQLTPS-LBPRGKRZSA-N 444.538 2.467 0 40 IEAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1c[nH]c(C(=O)N2CCCC2)c1 9721388 VXLGHJXSZKRSTC-OAQYLSRUSA-N 426.498 2.279 0 40 IEAB O=C(CSc1nnnn1CCc1cccs1)NC(=O)Nc1ccc2c(c1)OCCO2 10856945 LHEYHUCJEJWXLZ-UHFFFAOYSA-N 446.514 2.189 0 40 IEAB NC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 11432021 GYJMSSIZJZQQSE-INIZCTEOSA-N 430.404 2.144 0 40 IEAB CCN(C(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 12862271 UIWKZAHHYVPLHS-KRWDZBQOSA-N 436.555 2.161 0 40 IEAB CCn1c(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c1C 12948603 UAOQAYNMUNOGHG-UHFFFAOYSA-N 435.546 2.289 0 40 IEAB CN(Cc1ccccc1)C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 13012552 JQSJYHPYGQDQNQ-UHFFFAOYSA-N 426.494 2.320 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)C1=O 15843021 VNDKAZRTGBXEID-INIZCTEOSA-N 442.541 2.003 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)NC(=O)NC1 18258900 URKRMOOFKKPIKD-UHFFFAOYSA-N 432.864 2.429 0 40 IEAB CCN(CCO)C(=O)c1sc2nc3n(c(=O)c2c1C)CCN(Cc1ccccc1)CC3 19526595 DKCWFPSAXVMDQY-UHFFFAOYSA-N 440.569 2.279 0 40 IEAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19579254 KLFOUARRPORDJA-VWLOTQADSA-N 445.523 2.385 0 40 IEAB CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCOCC1 20080792 TYIHQDYABJCCST-LJQANCHMSA-N 442.520 2.099 0 40 IEAB C[C@H]1Cc2cc(C(=O)NCCN3CCOCC3)ccc2N1S(=O)(=O)c1ccc(F)cc1 20449768 BFPGMVKDBLSHDS-INIZCTEOSA-N 447.532 2.028 0 40 IEAB Cc1cc(N2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)nc(C(C)C)n1 21673905 CSMCGWYGUVLAFX-UHFFFAOYSA-N 430.578 2.415 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c1 22610336 ZCFPTAXLBLTTKK-AWEZNQCLSA-N 441.488 2.088 0 40 IEAB CS(=O)(=O)N(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1cccc(Cl)c1 22976253 XLGFQZYVGVYETD-UHFFFAOYSA-N 431.848 2.139 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24681975 XYIUZKWDMJNENC-CQSZACIVSA-N 428.441 2.110 0 40 IEAB COc1ccc([C@@H](CNC(=O)c2cccc(N3C(=O)CCC3=O)c2)N2CCOCC2)cc1 25606289 PZNLOBQDJUYLKX-OAQYLSRUSA-N 437.496 2.152 0 40 IEAB CS(=O)(=O)Cc1ccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1 27188355 SMZCXRKRIHZBPF-UHFFFAOYSA-N 428.432 2.410 0 40 IEAB COCCCn1c(C(=O)Nc2ccc(C(N)=O)cc2)cc2c(=O)n3cccc(C)c3nc21 33556459 MLTOYBVWFQINNU-UHFFFAOYSA-N 433.468 2.345 0 40 IEAB O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1ccc2c(c1)OCO2 35506010 VPMWXYFPXDFOLU-UHFFFAOYSA-N 432.392 2.259 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2ccc(C(=O)Nc3cccnc3)o2)cc1OC 35597471 HISVDVWQPONBSV-UHFFFAOYSA-N 431.470 2.465 0 40 IEAB O=C(NCCc1c[nH]c2ccc(F)cc12)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 36354337 REWUUXZAMOUCTC-UHFFFAOYSA-N 444.488 2.144 0 40 IEAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)c(OC)c1 40388982 NGDVEWOLZDDUGV-JSGCOSHPSA-N 441.488 2.088 0 40 IEAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccccc1OC 67287463 AKDRMDAMULOTAC-FQEVSTJZSA-N 445.516 2.141 0 40 IEAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)NCc3ccc(F)cc3)c2C)c1 71327413 QFOIYAQXQGXTCN-UHFFFAOYSA-N 427.436 2.312 0 40 IEAB CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 95461551 KMOZFSBATHXCMK-HNAYVOBHSA-N 434.558 2.493 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c2ccccc2C(=O)N1 95466314 YYXYJKIRDHYRLA-AWEZNQCLSA-N 431.489 2.389 0 40 IEAB Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NCc3cccc4c3OCO4)CN(C)C(=O)C2)no1 96113489 TTWBSNICFXSPKQ-SJLPKXTDSA-N 442.516 2.135 0 40 IEAB biogenic,in-vitro COc1cccc(CN2C[C@@]34CN(C(=O)Nc5ccccc5)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 96145951 VIRBSNZBXWLYDF-URVUXULASA-N 443.525 2.285 0 40 IEAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1 96377170 HOTIMUJSRNDCIP-UHFFFAOYSA-N 441.509 2.260 0 40 IEAB COc1cc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)n(C)c2cc1OC 101035577 KYVIZPKCWBSHOE-VXPUYCOJSA-N 435.527 2.248 0 40 IEAB COC(=O)C[C@@]1(C(=O)OC)Nc2cc(F)ccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 102252139 CJNLKNLGFZSCFN-OAQYLSRUSA-N 442.378 2.065 0 40 IEAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1CCCN1CCOCC1 223572424 PUBAGUDYUQACDJ-FGZHOGPDSA-N 443.617 2.187 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)ccc1OC 223904240 KUOFXFNHAXAGRH-UHFFFAOYSA-N 436.877 2.237 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)CCN(C)c3cccc(OC)c3)C2)nc2c1CCN(C)C2 257223899 DZKFTQKFDODOCL-QGZVFWFLSA-N 438.576 2.357 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)nc2c1CN(C(C)=O)CC2 257305689 SRBCTNNEIBMWBL-INIZCTEOSA-N 432.528 2.463 0 40 IEAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2C(=O)N2CCCCCC2)n1 257324897 WQQUKRVJNGDJBX-GOSISDBHSA-N 426.521 2.045 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)c(Cl)c2)cc1 408636370 PBEYKWDUKYTIMH-UHFFFAOYSA-N 440.905 2.387 0 40 IEAB O=C(O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)nc3)cc2)C1 536414612 PUHPQVOKNZBVHI-SNVBAGLBSA-N 429.376 2.339 0 40 IEAB COc1ccccc1N1CCN(CC(=O)N2CCC[C@@H](Oc3ncc(Cl)cn3)C2)C1=O 575607144 APAKNGCVJGERHM-MRXNPFEDSA-N 445.907 2.451 0 40 IEAB COc1ccccc1N1CCN(CC(=O)N2CCC[C@H](Oc3cc(C)nc(C)n3)C2)C1=O 575608513 GGSQWLLSROOZME-SFHVURJKSA-N 439.516 2.414 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2CN(CCC(C)C)C[C@@H]23)c1 585106129 PEILDGSEWJMTSR-RTWAWAEBSA-N 429.561 2.403 0 40 IEAB COC(=O)c1cc(NC(=O)N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)cc(Cl)c1F 616896820 UDLPXOVKVQUMMF-SJKOYZFVSA-N 440.903 2.282 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)C12CN(S(=O)(=O)C(C)C)C2 1549167790 RGOHJCVRSRYEQE-IBGZPJMESA-N 433.574 2.049 0 40 IEAB O=C(N[C@@H]1COc2cc(F)c(Br)cc21)N1CCC[C@@H](c2nc(O)n[nH]2)C1 1686252972 WTPCSOMJRBNTNF-PRHODGIISA-N 426.246 2.435 0 40 IEAB Cn1nc(C(=O)N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c2ccccc21 1775972713 RYUJIQSRYIHKEY-UHFFFAOYSA-N 444.421 2.382 0 40 IEAB O=c1ccc(C(F)(F)F)nn1CCNS(=O)(=O)c1ccc(Br)s1 1888875751 CCVLSEBUHPSJTR-UHFFFAOYSA-N 432.243 2.065 0 40 IEAB CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2091553 YGNLDEWVSYNWNH-HKBOAZHASA-N 436.556 2.361 0 40 IEAB biogenic C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 3333009 QKUHMRFPUSKXQH-INIZCTEOSA-N 440.500 2.149 0 40 IEAB CC(C)n1nc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2c1=O 3431953 WEPSEBCMKGSBPJ-UHFFFAOYSA-N 446.554 2.186 0 40 IEAB CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1cc(C)ccc1OC 6461981 OJXOFMZMGDHFQV-UHFFFAOYSA-N 433.534 2.093 0 40 IEAB Cc1cc(NC(=O)CSCC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)no1 9396707 GEGWDEUSNPOMJP-UHFFFAOYSA-N 429.401 2.438 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc(N2CCCC2=O)c1 9482119 PGIZZORGONLUFL-IBGZPJMESA-N 444.557 2.259 0 40 IEAB CN(C)S(=O)(=O)c1cc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)ccc1Cl 9631456 ZIGGQMZOXKWPJJ-OAHLLOKOSA-N 425.869 2.473 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N4C[C@H](C)O[C@H](C)C4)CC3)CC2=O)cc1 9698795 MJXUTQYZEVFXTK-NSHGMRRFSA-N 427.545 2.222 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 9725765 ACRKSBGAEHDTRZ-AWEZNQCLSA-N 443.550 2.475 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(F)ccc2Br)CC1 10666010 HNZGNQQPNBPLBC-UHFFFAOYSA-N 446.298 2.340 0 40 IEAB CCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 11866969 FTHXNBPWNYRIIN-OSPHWJPCSA-N 442.512 2.004 0 40 IEAB biogenic O=C(CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)NCCc1cccc(F)c1 12086616 LXRORROJKUWUEZ-XMMPIXPASA-N 439.487 2.058 0 40 IEAB Cc1nc2ccccc2n1CC(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142338 PHNFKPJJRXWEHD-UHFFFAOYSA-N 425.514 2.067 0 40 IEAB Cc1ccc(COc2cn(CC(=O)NCc3ccc4c(c3)OCO4)c(CO)cc2=O)cc1 12231220 RDSCMMXGWMIULG-UHFFFAOYSA-N 436.464 2.273 0 40 IEAB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)NCc1ccc2c(c1)OCO2 12237727 OEEHXCHUGDKAOW-UHFFFAOYSA-N 437.843 2.281 0 40 IEAB CCN1CCN(c2ccc(Cl)cc2NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 12543448 YHOXOOWZZKLCQH-OAHLLOKOSA-N 432.011 2.341 0 40 IEAB Cc1occc1-c1nc(N2CCC(C(N)=O)CC2)ncc1-c1ccnc(N2CCOCC2)n1 12667811 UBROPXZEAISPCS-UHFFFAOYSA-N 449.515 2.040 0 40 IEAB CCCn1nc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)ccc1=O 12755196 UACCYAVJFSXGAB-UHFFFAOYSA-N 434.518 2.089 0 40 IEAB C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 12972721 XHFQPCLHSRZYAP-BBRMVZONSA-N 435.933 2.213 0 40 IEAB COc1ccc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 13098926 AFWPPASXTAQUIF-UHFFFAOYSA-N 445.585 2.277 0 40 IEAB COCCNC(=O)[C@@H](c1ccco1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 13508530 UMSOQQWRVFBVKK-OAQYLSRUSA-N 437.456 2.150 0 40 IEAB Cc1cc(C)nc(SCC(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1 16717728 XHHUGPZGPWQJQB-ZDUSSCGKSA-N 446.485 2.237 0 40 IEAB CN(C)c1ncc(-c2cncnc2)c([C@@H]2CN(C(=O)COc3ccccc3F)CCO2)n1 19692652 LCGPJGOXJVVCFG-IBGZPJMESA-N 438.463 2.118 0 40 IEAB CC(=O)N1CCC(c2cc(CN(C)C)n(CCNC(=O)c3sc(C)nc3C)n2)CC1 19709131 SSSPXWMGCCTOIP-UHFFFAOYSA-N 432.594 2.174 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)Nc3nnc(SCCN4CCOCC4)s3)CC2=O)cc1 22627800 ZNKXEFMVSADRHX-HNNXBMFYSA-N 447.586 2.262 0 40 IEAB COc1ccccc1N1C[C@@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)CC1=O 25863105 QIJKOKFKCILPRM-FQEVSTJZSA-N 436.556 2.377 0 40 IEAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 26205854 HDOTUKXKZWMRNL-UHFFFAOYSA-N 435.468 2.464 0 40 IEAB CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(F)cc1 35655271 RYHULQSIBCWNLX-UHFFFAOYSA-N 435.506 2.482 0 40 IEAB CC(C)C[C@@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O 40287871 NBPRXVXBKOPOPQ-SFHVURJKSA-N 447.495 2.264 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@H](c1cccs1)N(C)C 58086270 YDCATVXGFWPDRD-OAHLLOKOSA-N 426.564 2.431 0 40 IEAB CN1CCN(S(=O)(=O)c2cccc(C(=O)NCCSCc3ccccc3)c2)CC1 60906624 UWIFHBUDOFOABB-UHFFFAOYSA-N 433.599 2.286 0 40 IEAB CCOC(=O)C1CCN(c2ncc(C(=O)NCc3ccc(OCC)cc3)c(N)n2)CC1 67336606 XDADJXSFUWPZJS-UHFFFAOYSA-N 427.505 2.167 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3C[C@@H]3C3CCCCC3)cc2)CC1 96014077 AEKMDMWPNDMKNY-IFMALSPDSA-N 447.601 2.486 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223627081 XJNOYJWNFSAVMZ-YSIASYRMSA-N 425.529 2.190 0 40 IEAB CSc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 223650168 ZWPFEYFRUOWETC-UHFFFAOYSA-N 441.600 2.145 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)Cc2cccc(Br)c2)cc1 224273021 LDCBWRPCYDBXTD-UHFFFAOYSA-N 441.347 2.437 0 40 IEAB COc1cc(CN(C)C(=O)Cc2ccc(N(C)S(C)(=O)=O)cc2)cc(OC)c1OC 225974878 DJXLQOZJYCLFIA-UHFFFAOYSA-N 436.530 2.309 0 40 IEAB Cc1nn(C)cc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)n(C)n2)C1 257305294 SPHXSQHJEJEBMS-OAQYLSRUSA-N 427.480 2.436 0 40 IEAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(OC)cc3)CCOCC2)C1 257329470 XKCFXRXXGMEDSG-VWLOTQADSA-N 437.540 2.445 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCC2(c3ccccc3)CCOCC2)Oc2ccccc21 260762003 FUBHNHYHQOAQRT-HXUWFJFHSA-N 430.526 2.078 0 40 IEAB O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)NCCCn1ccnc1 408594259 PKHMKCLUTWWKKK-UHFFFAOYSA-N 440.953 2.343 0 40 IEAB COc1cccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)c1 409156224 RGYRROOITSLJGX-UHFFFAOYSA-N 425.514 2.413 0 40 IEAB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Br)cc1F 409210601 JTOXICRJARZHKO-UHFFFAOYSA-N 444.330 2.280 0 40 IEAB CN(C)Cc1cc(C(=O)Nc2nc3ccc(S(=O)(=O)N4CCCC4)cc3s2)no1 1264311128 OGYBFQUYJSUVCE-UHFFFAOYSA-N 435.531 2.383 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)/C=C/c2cccc(Br)c2)cc1 3260229 AWQLKPDMFIWUBR-RUDMXATFSA-N 439.287 2.292 0 40 IEAB CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)NCCN1CCCC1 8636001 KFZMGPYGXTZKEJ-OALUTQOASA-N 437.606 2.334 0 40 IEAB biogenic,in-vitro C[C@@H]1C(=O)C[C@@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@@H]12 8764738 OACAZKAYRUIRND-SOSUQNFFSA-N 425.466 2.175 0 40 IEAB CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)s1 9263963 VODXPEIRUNFGKH-UHFFFAOYSA-N 435.510 2.280 0 40 IEAB O=C(CN1C(=O)S/C(=C\C(Cl)=C\c2ccccc2)C1=O)N[C@H]1C=CS(=O)(=O)C1 9347908 QJCCVJVIDGPUKV-LIWHGHHESA-N 438.914 2.273 0 40 IEAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C)cc5)CC4)ncnc32)c1 9850680 CPPYSHBAZZWKHM-UHFFFAOYSA-N 429.484 2.490 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccncc3)ccc2=O)c(OCC)c1 11744916 QXBWQLALLHNSRW-UHFFFAOYSA-N 444.513 2.081 0 40 IEAB CC(C)c1nnc(NC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 12085692 RTVVCCHYUYWESB-HXUWFJFHSA-N 429.502 2.131 0 40 IEAB O=C(c1ccc[nH]c1=O)N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 12779540 CCYOYYSUDKGVGV-UHFFFAOYSA-N 433.390 2.402 0 40 IEAB COc1ccc(C)cc1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 12857259 XCFBRHVOITVZQK-UHFFFAOYSA-N 448.541 2.096 0 40 IEAB NC(=O)CCn1c(SCC(=O)c2ccc3c(c2)NC(=O)CO3)nnc1-c1cccs1 12889218 LZIIQAVMCGTYRV-UHFFFAOYSA-N 443.510 2.188 0 40 IEAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 13113038 RQGPRSCASUPBAZ-UHFFFAOYSA-N 441.553 2.427 0 40 IEAB C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@@H]1CCS(=O)(=O)C1 16872461 DMGFIWIZMAQDDB-VXNVDRBHSA-N 442.872 2.185 0 40 IEAB Cc1cccc(CC(=O)N2CCC(c3cc(C(=O)N4CCC[C@@H](C(N)=O)C4)on3)CC2)c1 19234640 WFWTWKZELFZKEM-LJQANCHMSA-N 438.528 2.269 0 40 IEAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)[C@H]3CCS(=O)(=O)C3)cc2n1 19522258 IYQPHWNWGNRNGZ-SMDDNHRTSA-N 430.452 2.409 0 40 IEAB O=C(NCc1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 20768899 YNVCNBCOQCKSBJ-UHFFFAOYSA-N 435.933 2.057 0 40 IEAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)C2=O 22572871 SDUZGQHJHIUAIQ-UHFFFAOYSA-N 429.498 2.260 0 40 IEAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 23057162 LKOQAQZYQYADPX-KRWDZBQOSA-N 448.566 2.307 0 40 IEAB COC(=O)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 28208613 ZDEAPDSNCXCCLM-UHFFFAOYSA-N 432.498 2.065 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 32966832 MLMZCFYMFMUHOP-QGZVFWFLSA-N 434.514 2.052 0 40 IEAB CCN(CC)C(=S)SCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 36007250 YCFBLJNSQXYCNY-UHFFFAOYSA-N 426.583 2.268 0 40 IEAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 51364416 HLGSXEWVFMYGRV-OAQYLSRUSA-N 448.567 2.363 0 40 IEAB CC(C)N(CCCNC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1)S(C)(=O)=O 58160306 BLCFSOFHVPIAGF-GFCCVEGCSA-N 431.609 2.033 0 40 IEAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)c2cncc(O)c2)C1 72335818 BGZPNIHFUZXQFZ-OAHLLOKOSA-N 439.497 2.063 0 40 IEAB O=S1(=O)CC[C@H](N(Cc2cccnc2)S(=O)(=O)c2ccccc2Br)C1 95381694 YHHQMPQEBYBOCB-AWEZNQCLSA-N 445.360 2.222 0 40 IEAB COc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5ccc6c(c5)OCO6)C(=O)[C@H]24)O3)cc1 103461209 PDNWLAIFJBGZSB-AXJZPPOTSA-N 448.475 2.022 0 40 IEAB CN1CCN(c2ccc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)CC1 113939062 RUAPSWMGMXDRPI-UHFFFAOYSA-N 438.500 2.121 0 40 IEAB CN1CCN(c2ccc(NC(=O)CCCN3C(=O)c4ccccc4S3(=O)=O)cc2)CC1 219449581 UMRGVSDFIJPNSQ-UHFFFAOYSA-N 442.541 2.002 0 40 IEAB CCCCOc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)cc1 224319308 JBPVDKYJYCCGFF-UHFFFAOYSA-N 425.533 2.455 0 40 IEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCN3CCC[C@@H](C)C3)s2)c1 224372826 IKPOUFQVUJWNFA-OAHLLOKOSA-N 437.591 2.499 0 40 IEAB CSc1ccccc1C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224434305 QYFIPPWLXIJGOX-UHFFFAOYSA-N 436.555 2.238 0 40 IEAB CCOc1ccc(N([C@H](C)C(=O)NCCOc2ccccc2OC)S(C)(=O)=O)cc1 260796018 QEUOGSYABFMTKT-MRXNPFEDSA-N 436.530 2.444 0 40 IEAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 408562045 XGWHXCWWEFTGOQ-KRWDZBQOSA-N 448.541 2.430 0 40 IEAB Cc1ccc2nc(CS(=O)(=O)[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)cc(=O)n2c1 502602839 WOEBDADBWVVMLX-HOTGVXAUSA-N 425.510 2.284 0 40 IEAB C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 509060129 IWGWECXGDOTYKX-LYRGGWFBSA-N 440.313 2.224 0 40 IEAB COc1cccc(OCCN2CCN(C(=O)c3ccc(N4CCNC4=O)c(C)c3)CC2)c1 675803047 NWOIOBUBJFYWTH-UHFFFAOYSA-N 438.528 2.370 0 40 IEAB Cn1c(=O)c2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n(C)c2n(C)c1=O 8601697 PFQDKZUVZBNYRF-UHFFFAOYSA-N 428.301 2.008 0 40 IEAB COc1ccc(CN(C)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1F 8718396 KWOFVCRSWBAGBL-UHFFFAOYSA-N 442.534 2.440 0 40 IEAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O 8727131 MIXRHIJPYQXGEJ-HSZRJFAPSA-N 430.468 2.191 0 40 IEAB Cc1nn(S(=O)(=O)c2ccc(OC(C)C)cc2)c(C)c1S(=O)(=O)N1CCCC1 8754852 KYNMVYJXYYQYRL-UHFFFAOYSA-N 427.548 2.309 0 40 IEAB CC(=O)N[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(C)C 9157142 FGXBHZKWYOFNIE-FQEVSTJZSA-N 447.513 2.358 0 40 IEAB COc1ccc2[nH]c(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4)C3)nc2c1 9290327 CLWQMUHBJNCDKA-UHFFFAOYSA-N 432.527 2.154 0 40 IEAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)N[C@H]1CCCc2ccccc21 9548574 BISPGYQRCIFOIX-PBHICJAKSA-N 434.587 2.078 0 40 IEAB O=C(CSc1nncn1-c1ccccc1F)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 9950482 LIUGMWNRTLADCG-OAHLLOKOSA-N 438.550 2.457 0 40 IEAB CCc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(C(=O)OC)Nc3nnnn32)cc1 10232239 BRYSEMGYEAZTOI-GOSISDBHSA-N 434.412 2.469 0 40 IEAB COc1cc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc(OC)c1OCC(N)=O 10457020 VXFXLOJVBIGYRV-UHFFFAOYSA-N 441.528 2.484 0 40 IEAB CCN1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCN(Cc2ccccc2)CC4)CC1 12186904 HSZNHLANGVBZSP-UHFFFAOYSA-N 445.567 2.233 0 40 IEAB Cc1cc(C)n2nc(SCC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)nc2n1 12542744 SLJQSWVEJNXDGH-KRWDZBQOSA-N 445.570 2.049 0 40 IEAB COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 13508213 INPGWKYHMDDXMR-OAQYLSRUSA-N 442.516 2.070 0 40 IEAB COc1ccc(NC(=O)[C@H]2C[C@H](CC(N)=O)N[C@]23C(=O)Nc2c(C)cc(Cl)cc23)cc1 13592027 IUSQBQUNWOTHPI-SRVWHDFXSA-N 442.903 2.297 0 40 IEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(S(C)(=O)=O)cc1 14184805 NTBQUDDEBJRJGB-GOEBONIOSA-N 444.509 2.092 0 40 IEAB COc1cc(C(=O)N[C@@H](C)C(=O)NCc2cnn(-c3ccccc3)c2)cc(OC)c1OC 14234872 SOJVEBLFNSKXKS-HNNXBMFYSA-N 438.484 2.333 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 15172366 JBGPAJDMFLBDMP-XCVCLJGOSA-N 431.489 2.364 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(OC(F)F)cc1 16587244 BCZJPNWAFVMZGJ-UHFFFAOYSA-N 443.447 2.372 0 40 IEAB Cc1cccc(C)c1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2nccnc21 16841560 DXIUCKMIWAWOOH-UHFFFAOYSA-N 433.443 2.396 0 40 IEAB COc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4cccc(F)c4)c3=O)n2)cc1 16845479 YSBFHGDHUUEIFQ-UHFFFAOYSA-N 433.403 2.282 0 40 IEAB COC(=O)Cn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc(C(=O)OC)ccc21 16917160 VDNVSORGQULNLK-DQRAZIAOSA-N 442.449 2.175 0 40 IEAB CNc1nc([C@@H]2CCCCN2C(=O)CN2CCC(C)CC2)nc2c1CCN(C(C)=O)C2 19708493 LZAAHOHHXOLDIC-FQEVSTJZSA-N 428.581 2.208 0 40 IEAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NCCN4CCOCC4)ccc32)cc1 20766257 DLBOFVVUNGQCKR-UHFFFAOYSA-N 443.569 2.199 0 40 IEAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCn3cncn3)ccc2OC)cc1 21871174 OJOZIMMQAMDESJ-UHFFFAOYSA-N 431.474 2.125 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nc4nc(C)cc(C)n4n3)ccc21 21986517 UWUJFTFVQPKUIA-UHFFFAOYSA-N 431.543 2.428 0 40 IEAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(CC(=O)N2CCCCC2)CC1 22914393 FUNSMDCUEMSRFI-INIZCTEOSA-N 437.382 2.406 0 40 IEAB O=C([C@@H](c1ccccc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)N1CCCC1 22915350 SIYCFMJFDQBSSQ-OAQYLSRUSA-N 437.569 2.237 0 40 IEAB CCCNC(=O)Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccc(F)cc3)C1)CSC2 23138802 RATYGTYKXXQDJT-CYBMUJFWSA-N 445.520 2.287 0 40 IEAB CN1C(=O)[C@@]2(N=c3ccccc3=C(O)N2C[C@@H](c2cccs2)N(C)C)c2ccccc21 36358062 GMGFKBJIHOWWGC-GBXCKJPGSA-N 432.549 2.439 0 40 IEAB NS(=O)(=O)c1ccc(CCC(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 40105394 SEDQSGAACHWTAZ-UHFFFAOYSA-N 448.520 2.218 0 40 IEAB COc1c(C)c2c(c3c1CC[C@](C)(CCC(=O)OCCN1CCOCC1)O3)C(=O)OC2 67665234 QDIMPRIPGJUFLH-HSZRJFAPSA-N 433.501 2.413 0 40 IEAB in-vitro Cc1nc(C2CCN(C(=O)CN(C)C(=O)c3ccco3)CC2)nc(N2CCOCC2)c1C 72337174 ZYXJYIMFWYFXSF-UHFFFAOYSA-N 441.532 2.001 0 40 IEAB O=C([C@H]1OCCc2ccccc21)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338902 TXTNUGDJTFMPSC-SFTDATJTSA-N 427.526 2.269 0 40 IEAB COc1ccc(CNC(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)c(OC)c1 84177582 ZUUUQFDDCIAPHS-UHFFFAOYSA-N 449.573 2.172 0 40 IEAB O=C1OCC[C@@H]1N1CCC(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1 95455708 GTGUMPOBGPXAHQ-ZDUSSCGKSA-N 437.743 2.161 0 40 IEAB COc1ccc([C@H](CN2CCCC2)NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 95457336 JUIKTJOJANRLFE-IBGZPJMESA-N 425.485 2.107 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)CC2)cc1 95480353 HORQXMOKTWANJQ-GCJKJVERSA-N 436.574 2.250 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 225941346 CTZHSYBLIPNGIN-OPAMFIHVSA-N 444.509 2.484 0 40 IEAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3cc(-c4ccc(C)cc4)on3)CC2)OC[C@]1(C)O 257267007 MFNOROGDHYOQBM-UNMCSNQZSA-N 427.501 2.301 0 40 IEAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)c1ccc3c(c1)CCCN3C)CC2 257330773 XPYFRSMFTJCZGO-IBGZPJMESA-N 448.571 2.435 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)c(C)c2)cc1 408675443 ZFPRQJGTJJORFC-UHFFFAOYSA-N 447.557 2.347 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1OC 408693252 LILMDVYTMZIWGQ-UHFFFAOYSA-N 448.541 2.469 0 40 IEAB Cc1sc(-n2cnnn2)c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1C 524735567 KRGKLONXDJOSSR-UHFFFAOYSA-N 426.502 2.027 0 40 IEAB C[C@@H]1C[C@H](NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)C[C@H](c2ccccc2)C1 1561648886 WJDXTTAVFGPBTC-IMJJTQAJSA-N 428.514 2.285 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888918225 CWBYFIXQKSVPBB-OALUTQOASA-N 438.557 2.251 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCC(COc2ccc3nccn3n2)CC1 1888930453 WRNWVXWIBDNERU-UHFFFAOYSA-N 444.513 2.370 0 40 IEAB Cc1cnc(CN2CCC[C@@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cn1 2037818723 UIQBNZNIXBZDAD-VWLOTQADSA-N 449.555 2.252 0 40 IEAB Cc1c(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(=O)n(-c2ccccc2)n1C 3237369 VULRWQDEROGYAP-UHFFFAOYSA-N 433.420 2.386 0 40 IEAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 8254509 DCIGRLJGOXTKHV-SXLOBPIMSA-N 432.528 2.376 0 40 IEAB biogenic,in-vitro CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(I)cc1 8816043 DKDOCFFRVAZPHG-KGLIPLIRSA-N 432.258 2.458 0 40 IEAB CCn1nnc2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3C)ccc21 9596032 QNWWFSBLISOTFP-UHFFFAOYSA-N 429.502 2.033 0 40 IEAB CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)s1 10381823 OHOFUZPTOULOHN-UHFFFAOYSA-N 434.952 2.187 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N[C@@H]1CCCc2ccccc21 13039457 BDNPDJDJVSAOKC-OAQYLSRUSA-N 431.533 2.326 0 40 IEAB Cn1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)n1 14117909 KUYKGCQIYICERV-GFCCVEGCSA-N 427.324 2.222 0 40 IEAB C[C@@H]1CCc2c(sc3ncn(C4CCN(C(=O)[C@H]5CC(=O)N(C)C5)CC4)c(=O)c23)C1 19497197 VZTZOMRONMZPKJ-KGLIPLIRSA-N 428.558 2.225 0 40 IEAB COCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(=O)C4CCCCC4)CC3)nc21 19743082 QRMQGWYRPILVGZ-UHFFFAOYSA-N 428.533 2.028 0 40 IEAB CNc1ncc(C(=O)N2CCO[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)cn1 19762205 WECDTOZLVSMJBS-HXUWFJFHSA-N 434.500 2.418 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3ccnc3C)cc2)ccc1OC 20111083 QXODVPRAVPXDBS-UHFFFAOYSA-N 428.514 2.418 0 40 IEAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1C 20614361 MKUBHDNNTZFKGG-HXUWFJFHSA-N 438.528 2.076 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)c(OC)c1 21692926 XXZCURVYFRMGQQ-CQSZACIVSA-N 428.441 2.247 0 40 IEAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc3c(cc2Br)OCCO3)C1 22058047 WHBKMUYIFGMDKW-GFCCVEGCSA-N 427.295 2.434 0 40 IEAB COc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 24834256 QHVWMEJBNWMSCP-UHFFFAOYSA-N 446.348 2.061 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 27384663 VVFVHVLFYCADOU-UHFFFAOYSA-N 430.313 2.335 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)NC[C@@H]3Cc4ccccc4O3)CC2)cc1 28407358 KMKFGKYTTFHMRW-IBGZPJMESA-N 429.542 2.405 0 40 IEAB O=C(NCCC(=O)N1CCN(C(=O)C2CCCC2)CC1)c1ccc(Br)cc1 29323628 CBVZCPXIGWARRI-UHFFFAOYSA-N 436.350 2.430 0 40 IEAB CSCC[C@@H](C(=O)N1CCN(c2nccs2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 32904500 ZYASWKQGKDHPMB-XHSDSOJGSA-N 436.603 2.089 0 40 IEAB O=C(CN1CCN(C(=O)c2nccnc2-c2nc3ccccc3s2)CC1)N1CCCC1 35325697 NRZVXZVGGGBEPG-UHFFFAOYSA-N 436.541 2.134 0 40 IEAB CCc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(OC)cc2)C(=O)N3)cc1 35432404 YPBSGXOZTXZMGY-UHFFFAOYSA-N 427.526 2.358 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 36385499 VELMFSOGJNVARG-OALUTQOASA-N 445.585 2.310 0 40 IEAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1nc(N2CCOCC2)ncc1Cl 40141454 WRSDEKSDHOFKCB-CQSZACIVSA-N 427.896 2.381 0 40 IEAB CSc1ccc(CNC(=O)Cn2nc3c(N4C[C@@H](C)C[C@H](C)C4)nccn3c2=O)cc1 49400326 IKBGKHUGDIHXNR-HOTGVXAUSA-N 440.573 2.412 0 40 IEAB O=C(CC[C@H]1NC(=O)NC1=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 72393448 YVOOXMRWYVZZBT-LJQANCHMSA-N 430.524 2.206 0 40 IEAB COCCN1CCN(c2ncc(-c3cc(OC)nc(OC)n3)c(-c3cccs3)n2)CC1 72396895 FJLFOJVGLDAYLB-UHFFFAOYSA-N 442.545 2.448 0 40 IEAB Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)cc1 97943488 XBPLATWWTLXMFQ-NRFANRHFSA-N 431.496 2.456 0 40 IEAB O=C1CCCC(=O)C1[C@H]1c2ccccc2CCN1C(=O)CSC(=S)N1CCOCC1 100709721 SAZIVPFYDNXHFE-OAQYLSRUSA-N 446.594 2.401 0 40 IEAB COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCCO)cc1OC 222806369 PXAACFHCCXFIMA-OAHLLOKOSA-N 434.920 2.426 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1cccc(C)c1C)c1ccc2c(c1)OCCO2 223932746 UOSZSUOXCKUJFC-UHFFFAOYSA-N 448.541 2.426 0 40 IEAB O=S(=O)(Cc1ccccc1F)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224311006 HHUIIHSJABGFSP-UHFFFAOYSA-N 442.534 2.109 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@H]2[C@@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@]21O3 245229877 HYAMMVAHJFRONE-MWZJSTOFSA-N 443.588 2.443 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)n(C)n2)C1 257241461 HYCIIWALYSNTDA-HXUWFJFHSA-N 440.541 2.141 0 40 IEAB O=C(NCC1CCCCC1)c1nnc2n1CCN1CCN(C(=O)c3cccc(F)c3)C[C@H]21 585109921 MPVVOXRFJGGWFZ-LJQANCHMSA-N 440.523 2.240 0 40 IEAB Cc1cc(C)n(CCOc2ccc(CN(C)C[C@]3(O)CCN(c4ncccn4)C3)cc2)n1 585271122 RELKELUOVSFARC-XMMPIXPASA-N 436.560 2.442 0 40 IEAB COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(C2)CN(C2CCC(F)(F)CC2)C3)c1 604382659 XSIAYUCGOAUTDI-LJQANCHMSA-N 435.515 2.484 0 40 IEAB biogenic,in-vitro O=C1NC[C@@]2(CCCCCOc3ccccc31)CCCN(C(=O)CN1CCOCC1)C2 643559497 LQDGBZYUJGUARW-XMMPIXPASA-N 429.561 2.310 0 40 IEAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3ccc(-n4ccnc4)cc3)C[C@@H]12 1549162214 ROPGQULORATXMG-OAQYLSRUSA-N 435.528 2.280 0 40 IEAB CC(=O)N[C@H]1C(=O)N=C(SCC(=O)N[C@H](C)c2ccccc2)N(c2ccccc2)C1=O 2769763 VAXZPDMUADBGJV-KUHUBIRLSA-N 438.509 2.031 0 40 IEAB CCCCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@H](CC)N(C)C 4144624 QRDZBHKGPVQDNL-JKSUJKDBSA-N 445.655 2.219 0 40 IEAB CCOCCn1c(=O)c2c(nc3n(-c4ccc(OC)c(Cl)c4)c(C)c(C)n23)n(C)c1=O 6089658 CJRAYPMEIYRFJD-UHFFFAOYSA-N 445.907 2.454 0 40 IEAB CC[C@@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 6631723 CRYUUJXIJCHLNO-MSOLQXFVSA-N 444.536 2.087 0 40 IEAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)CNC(=O)c1ccco1 9119605 LLSVYILOTTUDTP-UHFFFAOYSA-N 444.362 2.235 0 40 IEAB CCn1cc(C(=O)NCC(=O)N[C@@H](C)CCc2ccco2)c(=O)c2cc3c(cc21)OCO3 9134707 CBTBIKNOURENSU-AWEZNQCLSA-N 439.468 2.210 0 40 IEAB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OS(=O)(=O)c1ccc(OC)cc1 9761626 ANJTVESJPUZIBG-UHFFFAOYSA-N 444.465 2.494 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 12599123 FLBNVTZIPLRWFR-UHFFFAOYSA-N 446.916 2.289 0 40 IEAB Cc1cccc(CN2CCN(C(=O)CN(C)CC(=O)Nc3cccnc3Cl)CC2)c1 12925592 BYCUAWDHMAXQHR-UHFFFAOYSA-N 429.952 2.258 0 40 IEAB Nn1c(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccco1 12974456 SAGIRLUKFAJYAY-AWEZNQCLSA-N 427.486 2.479 0 40 IEAB Cc1ccc(CN(C)C(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 12984872 IKCOXPALEIJEEZ-UHFFFAOYSA-N 433.549 2.489 0 40 IEAB CS(=O)(=O)c1cccc(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)c1 13009187 FVKFRHWAWNXGFQ-UHFFFAOYSA-N 435.461 2.335 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)N[C@@H]1CCCc2ccccc21 13038442 HDOJLIIVCRAGQF-OAQYLSRUSA-N 449.523 2.465 0 40 IEAB Cc1cc(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)CC2)nc(C(C)C)n1 13114778 SJRROOIGIRJPSM-QMHKHESXSA-N 442.564 2.058 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)c1 13668485 QITZRWACTGBQJK-UHFFFAOYSA-N 434.470 2.387 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 13683566 INENAZFBYDVFJV-AWEZNQCLSA-N 431.942 2.104 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 14168655 RXQPHUBTMZQJGA-UHFFFAOYSA-N 437.562 2.095 0 40 IEAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)NCCc1ccc(OC)cc1 15127307 YCAYAFPGFFSMOH-UHFFFAOYSA-N 434.562 2.148 0 40 IEAB COCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCN(c3ccc(F)cc3)CC2)no1 15673444 BYJFVJDVZCOFIM-ROUUACIJSA-N 430.524 2.467 0 40 IEAB biogenic,in-vitro CC(=O)c1ccc(N2CCN(C(=O)CNS(=O)(=O)/C=C/c3ccc(C)cc3)CC2)cc1 15976040 MJMLONSKNOWGGD-LFIBNONCSA-N 441.553 2.437 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)n1 16849705 PHLUKNVGWQXKIZ-UHFFFAOYSA-N 444.517 2.014 0 40 IEAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 18356095 ZMNJMGMHKBULKO-JSGCOSHPSA-N 436.461 2.266 0 40 IEAB NS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc3c(c2)OCCCO3)c1 19182869 QGRPTHRKIHEQHC-UHFFFAOYSA-N 425.846 2.188 0 40 IEAB CNC(=O)c1cnc([C@@H]2CCCN(C(=O)COCc3nc4ccc(C)cc4[nH]3)C2)nc1C 19763578 VIFFGSVNTHAIJK-MRXNPFEDSA-N 436.516 2.252 0 40 IEAB O=C1C[C@H](C(=O)NCc2ccccc2)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 19821488 FLMKFMCKXQQZMF-SFHVURJKSA-N 429.480 2.075 0 40 IEAB CN(C(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)C1CCCC1 20039890 HOQGLUQCEOTVHO-UHFFFAOYSA-N 436.315 2.458 0 40 IEAB CCCc1nnc(NC(=O)CCC(=O)N2CCN(CCn3c(C)ccc3C)CC2)s1 20358345 UPNXYLWEWKAARE-UHFFFAOYSA-N 432.594 2.472 0 40 IEAB CC(=O)N1C[C@@H](C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)Oc2ccccc21 22286971 FIYRCYFBMAUWTO-IRLDBZIGSA-N 427.476 2.129 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)c2)CC1 23684644 IGHNHSGBUIVHDM-RXVVDRJESA-N 433.574 2.334 0 40 IEAB O=C1CN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c2ccccc2N1 25876918 YBMXWEOYWCPHCP-UHFFFAOYSA-N 445.405 2.345 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCO2 28646103 JHSMZDYLKQJULP-JTQLQIEISA-N 427.276 2.483 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccc(F)cc3)C2)cc1 29298786 YASQCYORFWZDOG-MRXNPFEDSA-N 436.505 2.430 0 40 IEAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cnn3cccnc23)CC1 32754608 RIYSVGZPHALILP-GOSISDBHSA-N 427.892 2.445 0 40 IEAB Cc1cc(N2C[C@@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)ccc1Br 32796032 JRFMDWVUTXHDHE-ZDUSSCGKSA-N 434.290 2.250 0 40 IEAB CC(C)Cn1c(SCC(=O)NC[C@H]2COc3ccccc3O2)nc2ncccc2c1=O 32893465 WSVQRTNFZAJMGJ-HNNXBMFYSA-N 440.525 2.496 0 40 IEAB O=C(CN1CCN(c2ccccc2)CC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 58176589 NHEGVUQYDKBXNX-IBGZPJMESA-N 433.599 2.086 0 40 IEAB O=C(Nc1ccc2[nH]c(CN3CCOCC3)nc2c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 69947811 UQPIENLXIKHRHM-SFHVURJKSA-N 433.512 2.382 0 40 IEAB Cc1nc(N)cc(N2CCC[C@H](c3nc(N4CCN(C)CC4)ncc3-c3ccncc3)C2)n1 72338454 IWKGXNBJDHKULS-IBGZPJMESA-N 445.575 2.355 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2)c(C)c1N(C)S(C)(=O)=O 95116973 NENXGAAOMZKVKV-UHFFFAOYSA-N 439.559 2.006 0 40 IEAB O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)N1CCN(c2ccccn2)CC1 96230867 NUOBHJKVUFIIMP-SFHVURJKSA-N 441.919 2.284 0 40 IEAB Cc1ccc([C@@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCC(C)C)CC4)c3CO2)cc1 97943691 RGTNUOCVMXWIFW-FQEVSTJZSA-N 425.533 2.482 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4)[C@@H]3C2=O)cc1OC 101169797 QXTDQFHPEQLLPL-ROUUACIJSA-N 443.847 2.289 0 40 IEAB COCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 113937423 PTAXLWHXRHDXNT-UHFFFAOYSA-N 442.921 2.315 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCC[C@H](C)C4)nc(=O)c32)c1 139085310 DKZGPSXJDFHMPK-GXTWGEPZSA-N 441.488 2.088 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222943968 CJJYGRDIJLSGQU-IBGZPJMESA-N 435.521 2.145 0 40 IEAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C(=O)N(Nc5ccccc5)C(=O)[C@H]34)[C@H]2C(=O)N1Nc1ccccc1 245265332 GAUSSJFFZJVPNW-XETNVZRVSA-N 428.448 2.059 0 40 IEAB CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3ccc4c(c3)OCCCO4)CCN2C)c1 257266930 MFFDMKKEBHFMLM-FQEVSTJZSA-N 438.528 2.135 0 40 IEAB COc1ccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 408562042 XFVJCEZKNJUKAU-CYBMUJFWSA-N 426.922 2.383 0 40 IEAB CCN1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)CC1 409389596 QPJDKEFSBYCZQP-UHFFFAOYSA-N 445.585 2.093 0 40 IEAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9467075 RROJFLCOHQODTH-KXOMFBTKSA-N 444.491 2.396 0 40 IEAB C[C@@H]1CN(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)C[C@@H](C)O1 9631275 YKNWSMNHFHNBNO-NUJGCVRESA-N 430.526 2.268 0 40 IEAB COC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1 9747335 MRYBABHUDYLWEL-UHFFFAOYSA-N 444.557 2.201 0 40 IEAB CCOc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCC1 9957420 ALGKZTNTKLEBLO-CQSZACIVSA-N 435.502 2.220 0 40 IEAB Cc1ccc(N(CC(=O)NCc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1C 12472598 XJYCPWHPURQALJ-UHFFFAOYSA-N 437.525 2.404 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1c(=O)n(C)c2ccccc21 12770325 LBDBKQDBGZFHLK-UHFFFAOYSA-N 431.290 2.166 0 40 IEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)NC1CCCC1 12805446 JAZMWDNTACZCAL-UHFFFAOYSA-N 427.482 2.142 0 40 IEAB CSCC[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)NCc1ccc(C(=O)O)cc1 12938706 CMXRZMDGDXJJDX-QGZVFWFLSA-N 430.482 2.251 0 40 IEAB O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2ccc(Cl)cc12 12971700 LCUPTRAIRVYAKX-UHFFFAOYSA-N 436.896 2.222 0 40 IEAB CC1CCC(N2CCc3nc([C@@H]4CCCN(S(=O)(=O)N(C)C)C4)nc(O)c3C2)CC1 19495969 HJKOHZLEYWHRHS-AQFXKWCLSA-N 437.610 2.105 0 40 IEAB COc1cc(C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1OC 19549487 RCRDTUVOCSHMRX-HNNXBMFYSA-N 436.468 2.487 0 40 IEAB COc1cccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C)CC2)c1OC 19589904 PELOSHKKYZFQPE-FQEVSTJZSA-N 426.496 2.215 0 40 IEAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(CCCc4ccccc4)CC3)C2=O)cc1 22782357 YCCVJUXTHYEAOU-QFIPXVFZSA-N 435.524 2.356 0 40 IEAB COc1cccc([C@H](CNS(=O)(=O)c2cc(OC)ccc2OC)N2CCOCC2)c1 23108078 JOAPGTIUQSZTIB-IBGZPJMESA-N 436.530 2.064 0 40 IEAB CCOc1ccc(OCC(=O)N2CCN(c3nc(CC)nc4c(C)nn(C)c34)CC2)cc1 28559417 AGAKRICKGJHIEU-UHFFFAOYSA-N 438.532 2.360 0 40 IEAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCC[C@H](OCC(F)(F)F)C3)cnc21 32402091 ADZQNDGISABKTJ-OLZOCXBDSA-N 428.411 2.115 0 40 IEAB CCn1c(SCC(=O)N2CCOCC2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 32579293 CDADUZHRAKGWGI-SFHVURJKSA-N 431.562 2.376 0 40 IEAB CCCCc1ccc(N2C[C@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 32795528 SHBOPNLEPAPQMH-GOSISDBHSA-N 429.542 2.346 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2noc(-c3ccc(C)cc3)n2)cc1 40157434 QNIVZPSTQLTRLW-AWEZNQCLSA-N 431.470 2.464 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccccn3)CC2)cc1 61717508 SEJPETXKFYUQOQ-INIZCTEOSA-N 425.489 2.117 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(Cc2nc(-c3ncccn3)no2)C1 62022918 XEIVCAHZXKUDMM-KRWDZBQOSA-N 449.515 2.214 0 40 IEAB O=C(CCCN1C(=O)CNC1=O)NC1CCN(CC2(c3ccccc3)CCCC2)CC1 72393420 LOAFSVWNIKSIKD-UHFFFAOYSA-N 426.561 2.411 0 40 IEAB COc1cccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5c(OC)cccc5[C@@H]4[C@H]3C2=O)c1 79502137 UNZYQERRJYJOOV-RKVPGOIHSA-N 438.461 2.182 0 40 IEAB COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4ccncc4)CC3)O2)cc1 96036702 VZDZKIJZFUHZLB-JOCHJYFZSA-N 447.539 2.493 0 40 IEAB C[C@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCC1)N(C1CC1)C(=O)[C@@H]3[C@@H]2C(=O)NCc1ccccc1 100431369 BECBFNRVEMJVFB-ZGKMFGPYSA-N 449.551 2.065 0 40 IEAB COc1cc2nc(CSCC(=O)NC[C@H]3CC[C@H](C(=O)O)CC3)[nH]c(=O)c2cc1OC 101589744 AEHVKFKQAHUQLW-BETUJISGSA-N 449.529 2.181 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1ccc(SCC(=O)NCCN2CCOCC2)cc1 223396187 NGLKASFARZTRIA-UHFFFAOYSA-N 449.598 2.052 0 40 IEAB CSc1nnc(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)s1 224510597 IJJRVDTYUNPVNM-LLVKDONJSA-N 434.952 2.469 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@](O)(c2ccco2)c2cccs2)cc1 225591453 FWXSUMBVABNZIP-FQEVSTJZSA-N 446.506 2.209 0 40 IEAB CC(C)CSc1nnc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)s1 225612657 RAEWZMNZEVPSEQ-UHFFFAOYSA-N 444.560 2.420 0 40 IEAB O=c1sc2cc(S(=O)(=O)NCCCN3CCOCC3)ccc2n1Cc1ccccc1 225749629 CAQCDJMFJNMSHS-UHFFFAOYSA-N 447.582 2.112 0 40 IEAB COc1ccc(C)cc1CC(=O)N1CCC(c2n[nH]cc2C(=O)N2CCOCC2)CC1 257300168 RTELKHIADHPLSD-UHFFFAOYSA-N 426.517 2.148 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2nnc(SCc3ccccc3)s2)C1 260813204 QQSQGXAVLTYBDL-AWEZNQCLSA-N 441.604 2.287 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)Cc2ccccc2)cc1 408635748 IFEBHZADNALYCC-UHFFFAOYSA-N 431.558 2.050 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666145 SJXBBWKRUOTRSW-PRNVEUERSA-N 449.301 2.350 0 40 IEAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCC(S(=O)(=O)N4CCCC4)CC3)C2)cc1 506522830 ROYIKGPIULJWDZ-FQEVSTJZSA-N 447.601 2.264 0 40 IEAB Cc1ccc(CN2CC3(C2)[C@H](C(=O)N2CCOCC2)c2ccccc2C(=O)N3C(C)C)cn1 1549168170 UIAZCNDSCVSBFX-QHCPKHFHSA-N 448.567 2.451 0 40 IEAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1ccccc1 3228526 SAXLLODDZSLDEX-UHFFFAOYSA-N 430.526 2.377 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1C 3388681 JIDPYQLYXLFLCB-UHFFFAOYSA-N 442.877 2.149 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@H]1c1ccccc1OC 6354046 RLUVCVKYRFJPNQ-ZPBCLNFZSA-N 435.505 2.202 0 40 IEAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)c3ccc4c(c3)OCO4)c2n1 8946513 TWOWSJPHMRENDK-UHFFFAOYSA-N 426.502 2.307 0 40 IEAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)CC2=O)cc1 9036068 VQJNIMSWFLGPAX-HNNXBMFYSA-N 432.498 2.188 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3)CC2)c1 9051098 MAXLVMLYTZAEJM-QGZVFWFLSA-N 448.541 2.313 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccccc1 9295490 ZNEQGGGSDYRRLG-GTVARFKMSA-N 434.473 2.106 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N1CCN(c2ccc(O)cc2)CC1 9373111 LXLWFFUIGGIJCC-UHFFFAOYSA-N 434.587 2.470 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(C)c1 9500335 VDICQFQZIWSCFN-HXUWFJFHSA-N 430.526 2.285 0 40 IEAB CSc1ccc(CN(C)C(=O)CNC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)cc1 9781120 DUEZYJIAQIKRBS-UHFFFAOYSA-N 449.598 2.078 0 40 IEAB COc1ccc(Cc2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n2N)cc1 9799396 OIZAVQAIYWRINL-HXUWFJFHSA-N 439.541 2.284 0 40 IEAB COc1ccc(NC(=O)C[C@@H](NCCc2ccc(OC)c(OC)c2)C(=O)O)c(OC)c1 10186421 GSXNUZHSRBOTRA-QGZVFWFLSA-N 432.473 2.335 0 40 IEAB Cc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 10283985 GNIIZONBYPZBOT-UHFFFAOYSA-N 449.960 2.453 0 40 IEAB CNS(=O)(=O)Cc1ccccc1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 10745392 WHSAHRIGQJBCCW-UHFFFAOYSA-N 438.449 2.113 0 40 IEAB CCc1cccc2sc(N3CCN(C(=O)[C@H]4CCCN(S(C)(=O)=O)C4)CC3)nc12 13790566 RRKHIWKLBFYPLY-INIZCTEOSA-N 436.603 2.179 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccccc1 13940298 HQWSFANIJGJSAI-LVSKKATPSA-N 448.500 2.497 0 40 IEAB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc4c(c3)OCCO4)c2C(N)=O)C1 17297155 RWGSBBLMUQFZHS-UHFFFAOYSA-N 431.470 2.385 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)c1 19690126 ILUXZGQQJMXDGJ-HXUWFJFHSA-N 448.527 2.447 0 40 IEAB Cc1nn2c([C@H]3CN(C(=O)Cc4ccccc4)CCO3)ccnc2c1CN1CCOCC1 19707716 ZBJVOQSUNIVLCZ-JOCHJYFZSA-N 435.528 2.013 0 40 IEAB COCCN(C(=O)c1cc2ccc(F)cc2nc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 22060907 LGXQSYXITTYKFS-UHFFFAOYSA-N 443.479 2.064 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 22526621 QATBGHGGUVYNIF-QGZVFWFLSA-N 448.541 2.055 0 40 IEAB Cc1ccccc1OC[C@H](O)CN1CCN(C[C@@H](O)COc2ccccc2C)[C@H](C)C1 22924127 FAGWHYGBKPHGSL-DNVJHFABSA-N 428.573 2.489 0 40 IEAB CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc2c(c1)N(CC(=O)O)C(=O)CO2 26533931 VFKUFEUPZSCAIA-UHFFFAOYSA-N 426.450 2.475 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)o1 32704686 JYZDSRLIIWOADZ-UHFFFAOYSA-N 431.470 2.084 0 40 IEAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)N1CC=C(c2ccccc2)CC1 32805930 WSVQZCZYVWAEDD-XMMPIXPASA-N 447.535 2.429 0 40 IEAB COc1ccc(S(=O)(=O)NCc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)cc1OC 32927738 YNTCOKGOWQQQHU-UHFFFAOYSA-N 447.513 2.013 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(CN3CCCC3)cc2)Oc2ccccc21 38831802 IGUMONDJLSPXNH-NRFANRHFSA-N 429.542 2.126 0 40 IEAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)c1csc(-c2cnn(C)c2)n1 40144443 WUPYELLOHLLTTH-UHFFFAOYSA-N 427.486 2.419 0 40 IEAB Cc1occc1C(=O)Nc1nc(CC(=O)NCc2ccnc(N3CCOCC3)c2)cs1 48237235 VINLBQWQFOIHTI-UHFFFAOYSA-N 441.513 2.387 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)Cn1nc2nc(Nc3ccccc3)ccn2c1=O 57507335 BSSKLPGOYKZAPS-UHFFFAOYSA-N 432.440 2.450 0 40 IEAB COC(=O)CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C1CCCC1 58017729 MRQZDIQHXSCLMC-GOSISDBHSA-N 446.544 2.429 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1 62165880 FNCPLKGZGMVRRS-OAHLLOKOSA-N 440.481 2.393 0 40 IEAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCCc3nc4ccccc4[nH]3)C2=O)cc1 96231952 QAXHPGHYJLQFBJ-IBGZPJMESA-N 435.484 2.131 0 40 IEAB Cc1nc2cc([C@@H]3CCCN(C(=O)c4ccc(CN5CCOCC5)o4)C3)nn2c(O)c1C 100137662 BZUWUEDWTMQOCE-QGZVFWFLSA-N 439.516 2.497 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnc2sc3c(n2c1=O)CCCC3 223042697 KCWUPKZBYQLKTD-UHFFFAOYSA-N 446.554 2.446 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)cc1 225093388 JJPUDUDHUUKSAM-UHFFFAOYSA-N 428.510 2.367 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 408596845 SPDIOQQITBRAID-LLVKDONJSA-N 425.894 2.143 0 40 IEAB O=C1NCCN(C(=O)Cn2ccc(C(F)(F)F)n2)[C@@H]1c1ccccc1Br 503900424 IILVSLNEKGPPRN-CQSZACIVSA-N 431.212 2.364 0 40 IEAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CCn3ccnc3)CCO2)C1=O 643556904 QWGFGJQFAWAWIM-XMMPIXPASA-N 440.544 2.135 0 40 IEAB COC1(CNC(=O)C2c3ccccc3Oc3ccccc32)CCN(S(C)(=O)=O)CC1 1889270347 NODKQUIGLKPGSO-UHFFFAOYSA-N 430.526 2.481 0 40 IEAB CCCn1c(N)c(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(=O)[nH]c1=O 3414050 DZNZDICTCSQOBY-UHFFFAOYSA-N 440.529 2.021 0 40 IEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 8965975 CFSHCFCFUNJSCY-KUHUBIRLSA-N 445.479 2.395 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 9418331 CPVIDUMYXZTGOV-IBGZPJMESA-N 443.569 2.445 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3cccc(C)c3)CC2)cc1 9868794 VSQMBVGKRXXLPD-UHFFFAOYSA-N 433.530 2.099 0 40 IEAB CCOc1ccc(C(=O)C2=C(C(=O)OC)Nc3nnnn3[C@H]2c2ccc(OC)cc2)cc1 10232096 GFJBDJCUAAWIFZ-IBGZPJMESA-N 435.440 2.405 0 40 IEAB CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1cccc(CC)c1 10385676 IFFKTUIIHSPZMZ-KRWDZBQOSA-N 443.548 2.418 0 40 IEAB O=C(NCc1ccc(N2CCOCC2)nc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 11129759 OEIOYAJRCQZANX-VQHVLOKHSA-N 434.540 2.486 0 40 IEAB O=C(Cn1cc(OCc2ccc(F)cc2)c(=O)cc1CO)NCc1ccc2c(c1)OCO2 12231120 KLOYKSNRFMDRFQ-UHFFFAOYSA-N 440.427 2.104 0 40 IEAB C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CCO1 12760226 DOUFLOUPDXMCBD-VXGBXAGGSA-N 437.381 2.159 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)O 12885641 HORMGZBYZMQGQC-HHHXYUNESA-N 447.557 2.155 0 40 IEAB biogenic CC1CCC2(CC1)NC(=O)N(NC(=O)CN[C@@H](c1ccc3c(c1)OCCO3)C(C)C)C2=O 12895239 AQRUUMSLDWSHEG-NKTGRTDOSA-N 444.532 2.276 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cc(F)ccc3F)CC2)cc1 12947174 ZUKFKTMGOXJKHK-UHFFFAOYSA-N 446.497 2.105 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 13018215 RQFWLILWQUUCDZ-UHFFFAOYSA-N 431.514 2.237 0 40 IEAB O=C(Nc1ccnn1Cc1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 13042221 PUSZASSLUINKQL-UHFFFAOYSA-N 432.527 2.266 0 40 IEAB CCN(C(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccccc1)[C@H]1CCS(=O)(=O)C1 14240874 JRZBBVKAURTIDX-HOCLYGCPSA-N 445.570 2.332 0 40 IEAB CCCCN(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14719867 XQSIOLYCMTYHRG-INIZCTEOSA-N 428.489 2.210 0 40 IEAB O=C(C1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 19014561 ASRYVMBGPIWJNW-RTBURBONSA-N 428.533 2.077 0 40 IEAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)OCO4)[nH]c2=O)C1 19499129 IYLAUNCCBYCMBZ-KRWDZBQOSA-N 438.484 2.161 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(N(C)C)n2)CN(C)CC3)cc1 19710436 JGDIDNLJRFKYDW-FQEVSTJZSA-N 445.589 2.455 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)C(C)(C)O4)C2)ncc1C(=O)N(C)C 19757556 BHINUBUIQRWJQM-OAHLLOKOSA-N 437.500 2.226 0 40 IEAB CS(=O)(=O)N1CCc2cc(NS(=O)(=O)c3cc(C(=O)O)ccc3Cl)ccc21 19819409 JIKSMLNCAXTMHZ-UHFFFAOYSA-N 430.891 2.161 0 40 IEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCN(CCc4ccccn4)CC3)cc2O1 20592140 RDMGNRHGRLOVSK-UHFFFAOYSA-N 439.512 2.297 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2)cc1C 21149499 WIZINOHXVZZSNJ-UHFFFAOYSA-N 446.964 2.439 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C 22247393 TVGSFYCRCHMXAA-FQEVSTJZSA-N 432.542 2.142 0 40 IEAB COc1ccc(C(=O)NCCc2nnc(S[C@H](C)C(=O)NC3CCCC3)n2C)cc1 28211710 UNFLREKABLJCGH-CQSZACIVSA-N 431.562 2.336 0 40 IEAB CCC(CC)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 35413781 GSNXRNLRKLRRDW-UHFFFAOYSA-N 438.413 2.122 0 40 IEAB CC(=O)N[C@@H](CC(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1)c1cccs1 37136567 PJLYXCCTQVDHIM-AWEZNQCLSA-N 440.424 2.417 0 40 IEAB COc1ccc(-c2cc3c(=O)[nH]nc(SCC(=O)NC4CCCC4)n3n2)cc1OC 45925802 LQCGLOSVFZLFTD-UHFFFAOYSA-N 429.502 2.253 0 40 IEAB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1c(C)nn(C)c1C 58015960 GTKGUWYPGCLSAQ-QGZVFWFLSA-N 430.505 2.155 0 40 IEAB CC(C)N1C(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4F)CC3)cc2S1(=O)=O 70012380 BRGHVXJQRATONO-UHFFFAOYSA-N 445.516 2.337 0 40 IEAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)N(C)S(=O)(=O)N1 72335110 JHLZWOGJOTZZPR-KGLIPLIRSA-N 432.333 2.254 0 40 IEAB CCCCN(C(=O)CN1CCS[C@H]2CCCC[C@@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O 79053488 NAUUWMMTLYWBMG-HOTGVXAUSA-N 437.610 2.022 0 40 IEAB COc1ccc([C@@H](O)[C@@](Br)(I)S(C)(=O)=O)cc1 96521060 KXKRPUJMQBBADJ-NXEZZACHSA-N 435.077 2.257 0 40 IEAB C[C@@H]1Cc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2N1S(=O)(=O)c1ccccc1 223070747 XINQBOGGXMOISM-OAHLLOKOSA-N 427.526 2.164 0 40 IEAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 223875032 HJLYHALRYDNGJS-UHFFFAOYSA-N 448.541 2.387 0 40 IEAB CCc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)cc1 224163046 UFWTWJFWEWLFLO-UHFFFAOYSA-N 448.541 2.372 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)CC1 224407351 OURZXPOLPGCZPR-UHFFFAOYSA-N 445.541 2.422 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 247748186 SYAJQMSNCWYZCA-LDAQOBCYSA-N 445.523 2.276 0 40 IEAB Cc1nc2cc([C@@H]3CCCN3C(=O)C(C)(C)C)nn2c(O)c1CCC(=O)N1CCOCC1 257237751 HHZIZNVQOHMCFC-SFHVURJKSA-N 443.548 2.244 0 40 IEAB O=C(CN1CC[C@H]2[C@@H]1CCCC(=O)N2Cc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 257325310 WSJSOFSOLXPXCD-SFTDATJTSA-N 433.512 2.450 0 40 IEAB CCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2nnc(C)s2)cc1 408688544 QSYBSRDMSNWXCC-UHFFFAOYSA-N 434.474 2.314 0 40 IEAB Cc1c(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cccc1-n1cnnn1 8705001 SYXBWNGVBVEKIU-LRTDBIEQSA-N 425.493 2.046 0 40 IEAB CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(Br)cc4)c(=O)n3C)n2[C@H]1C 8725091 ZWUNJVDABVVFSO-NSHDSACASA-N 431.294 2.094 0 40 IEAB C[C@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)C(=O)N1CCOCC1 10199357 QXCYTPZRMHKVQB-HNNXBMFYSA-N 427.592 2.374 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1nc(C)cs1 10555627 RXYIHKLXOTWMIL-CYBMUJFWSA-N 443.572 2.261 0 40 IEAB Cc1cc(C)n2nc(CC(=O)N[C@H]3C[C@@]4(CCC(=O)N(C)CC4)Oc4ccccc43)nc2n1 12086437 FTJOQJLRXNNXKI-UUOWRZLLSA-N 448.527 2.305 0 40 IEAB O=C(CSc1nnc2n1CCCCC2)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 12600882 KHKSTJAEWGNBQC-KRWDZBQOSA-N 434.587 2.313 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](C)c3ccc(F)c(F)c3)CC2)cc1 13038725 SZNVHZKKNCQEEQ-INIZCTEOSA-N 437.512 2.457 0 40 IEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 14932256 NCBWJZRRFWVKQJ-CYBMUJFWSA-N 429.502 2.328 0 40 IEAB NC(=O)c1ccc(C(F)(F)F)n(C[C@@H](O)COc2ccc(Br)cc2)c1=O 15544365 HZSAYZFHYGJIKW-SNVBAGLBSA-N 435.196 2.168 0 40 IEAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(-n2nc(C)cc2C)cc1)[C@H]1CCS(=O)(=O)C1 16716856 JUGLKGSYCWECFY-APWZRJJASA-N 433.530 2.070 0 40 IEAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)on1 19122029 MUEQHBCXWYMNBY-SJORKVTESA-N 438.532 2.225 0 40 IEAB COc1cc(C(=O)N2CCO[C@@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)ccn1 19550295 ODKYZUQODMPPBU-XMMPIXPASA-N 432.480 2.091 0 40 IEAB Cn1nc(C(=O)N2CCC([C@@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)ccc1=O 19695840 MRFZHIFCLZAYNQ-FQEVSTJZSA-N 438.503 2.377 0 40 IEAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)[C@@H]4CCCO4)nc32)c1 19698634 BJZRTCUWXAQHEQ-FQEVSTJZSA-N 438.528 2.453 0 40 IEAB CNc1cc(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc(CN(C)C(C)=O)n1 19710088 BEDXTLQOHLLMFG-UHFFFAOYSA-N 431.562 2.373 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2)cc1 20021229 LIBOVMDVNSENOW-UHFFFAOYSA-N 436.530 2.430 0 40 IEAB O=C(NCCCN1CCOCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 20062158 ILUCWRPCYDNYJH-UHFFFAOYSA-N 443.997 2.357 0 40 IEAB O=C(NCCCN1CCc2ccccc21)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20453496 MRHAUAOURZMHFK-UHFFFAOYSA-N 443.569 2.031 0 40 IEAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 24985592 WEVCZSZWZIICBR-ZFWWWQNUSA-N 432.420 2.406 0 40 IEAB O=C1NC(=O)C2(CCN(C(=O)c3nn(-c4ccc(F)cc4)c4c3CCCCC4)CC2)N1 25007673 JYLSRWFVLDPXCA-UHFFFAOYSA-N 425.464 2.095 0 40 IEAB O=C(CN1CCCc2cc(F)cc(F)c21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 26726327 LYQCQLXENAGTTN-UHFFFAOYSA-N 449.523 2.392 0 40 IEAB COc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1OC 30854347 JCOORAYSCBQGHN-MRXNPFEDSA-N 448.541 2.357 0 40 IEAB Cc1ccc(Nc2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(N3CCOCC3)n2)cc1 32603958 IFMHVMQFUJUTAX-UHFFFAOYSA-N 441.517 2.151 0 40 IEAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cn1cnc2sccc2c1=O 32983444 IKAAEKAFQUOBAF-UHFFFAOYSA-N 431.499 2.245 0 40 IEAB CN1CCC(N2CCC[C@H]2c2nc(-c3ccnc(N4CCC(C(N)=O)CC4)c3)no2)CC1 35424695 HZIIXMCRNSUXRF-IBGZPJMESA-N 439.564 2.064 0 40 IEAB biogenic,in-vitro COC(=O)c1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)cc1 49008613 HRJVSBHFCJGTNX-UHFFFAOYSA-N 433.424 2.417 0 40 IEAB O=C(COc1ccccc1)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1 72321535 YLQLLRDCUZQHJK-ZJSXRUAMSA-N 440.496 2.144 0 40 IEAB biogenic,in-vitro O=C(c1ccc(CN2CCCC2)o1)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338796 ZXOKAWORCNZHRP-NRFANRHFSA-N 444.557 2.458 0 40 IEAB O=C(CCc1nc2ccccc2[nH]1)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338894 GVKJHGAICRWEIA-JOCHJYFZSA-N 439.541 2.464 0 40 IEAB O=C(O)CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1ccc(Br)s1)C(=O)N2 96129877 GTQHDDGPIFQOAP-WZUFQYTHSA-N 443.300 2.366 0 40 IEAB COC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)c(OC)c3)C2)sc1C 96231774 SOASISDLMTZTLK-ZDUSSCGKSA-N 433.486 2.243 0 40 IEAB O=C(Nn1c(S)nc2ccccc2c1=O)c1ccc(CN2CCN3CCC[C@@H]3C2)cc1 102003221 PZQUVJUCHUTOLX-GOSISDBHSA-N 435.553 2.349 0 40 IEAB C[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 113940655 PDVYGPSMPRTRRS-MRXNPFEDSA-N 434.537 2.371 0 40 IEAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)c1 223906845 JBDBLXBAJRSITR-UHFFFAOYSA-N 432.458 2.191 0 40 IEAB Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cn(C)c2c(cnn2C)c1=O 553199273 VEJGMSGIFZPSKT-GOSISDBHSA-N 445.527 2.476 0 40 IEAB CN(C)C(=O)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)COc1ccccc1)C2 585107489 XNOGUNYMFDEWFR-RUZDIDTESA-N 445.523 2.287 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1=O 643557806 WRJDTHWBTPTJAB-XMMPIXPASA-N 440.544 2.285 0 40 IEAB Cc1ncsc1-c1ccc(CNC(=O)[C]2C[C@@H](O)CN2C(=O)[C@@H](N)C(C)(C)C)cc1 1560403734 KNPXLAQOWZJNGL-VQIMIIECSA-N 429.566 2.233 0 40 IEAB O=S(=O)(CCc1ccccn1)Oc1cccc(OS(=O)(=O)CCc2ccccn2)c1 2061681 RDXSZHHFKLATER-UHFFFAOYSA-N 448.522 2.379 0 40 IEAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 3571455 CPXMNCZMVROQGA-UHFFFAOYSA-N 446.456 2.368 0 40 IEAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c3=O)cc1 8849558 YWFYVUAIUCHGGZ-UHFFFAOYSA-N 441.875 2.248 0 40 IEAB CCOc1cc(C(=O)N2CCN(C(=O)C3CC3)CC2)ccc1OCC(=O)N1CCCCC1 9048888 ITINGBWMBCHIQV-UHFFFAOYSA-N 443.544 2.171 0 40 IEAB COC(=O)c1ccc2c(=O)[nH]c(CSc3nnc(-c4ccccc4F)n3N)nc2c1 9633611 FINJUYKOAOTGKM-UHFFFAOYSA-N 426.433 2.113 0 40 IEAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)N2CCN(c4ccccc4)CC2)CCCC3)n1 9828783 ACKCWYNTAXIVLU-UHFFFAOYSA-N 446.555 2.273 0 40 IEAB COc1ccc(S(=O)(=O)NCCCc2ccc(C)cc2)cc1C(=O)N1CCOCC1 10110549 MTYQIZDJJDKFDR-UHFFFAOYSA-N 432.542 2.387 0 40 IEAB COc1ccc(-n2nc3c(c2NC(=O)C(=O)NC2CCCCCC2)CS(=O)(=O)C3)cc1 10219752 ICUVIVODCAKBRT-UHFFFAOYSA-N 446.529 2.087 0 40 IEAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2Br)s1 10678760 VCDRMENCJGNFRE-UHFFFAOYSA-N 439.378 2.239 0 40 IEAB CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)cc1 11858155 QWMCUFDTYYSKKB-UHFFFAOYSA-N 436.511 2.373 0 40 IEAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccccc2O)CC1 12536445 VVLQWBVAGWSPGH-LJQANCHMSA-N 443.569 2.358 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)c(C)c1 12696365 QIGCCBWNAFXFOV-UHFFFAOYSA-N 439.541 2.339 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)C[C@@H](C)O1 13040869 BUCMBUNPXXONCY-IXDOHACOSA-N 449.573 2.214 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc4nc(C)cc(C)n4c3=S)CC2)cc1 13063547 PUZYBBMQURYXRS-UHFFFAOYSA-N 432.575 2.150 0 40 IEAB C[C@@H]1CCc2c(sc3ncnc(S[C@H](C)C(=O)c4c(N)n(C)c(=O)n(C)c4=O)c23)C1 13108544 FUSMZHSAXNALSB-NXEZZACHSA-N 445.570 2.159 0 40 IEAB CN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc2ccccc2c1 13145592 VKLOCDCOCMHHAH-UHFFFAOYSA-N 441.509 2.038 0 40 IEAB COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 13566680 BBJMREBJCNMWGQ-UHFFFAOYSA-N 440.905 2.387 0 40 IEAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1OC 13992234 LDZQUUWOOQFOOU-UHFFFAOYSA-N 435.436 2.460 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)O[C@H](C(=O)N2CCCC2)c2ccccc2)cc1 17261400 MLOBEWPXCGCHLR-FQEVSTJZSA-N 430.526 2.299 0 40 IEAB Cn1c(=O)sc2cc(S(=O)(=O)N3CCC(c4nnc5n4CCCCC5)CC3)ccc21 19289855 NPHYVKBCXYHWSH-UHFFFAOYSA-N 447.586 2.486 0 40 IEAB Cc1scc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)c1C 19561884 NDJRWYBGGFQZSM-UHFFFAOYSA-N 445.570 2.307 0 40 IEAB Cc1nn2c([C@@H]3CN(C(=O)c4ccc(F)cc4)CCO3)ccnc2c1CN1CCOCC1 19707706 GXQNDCMMDALCBM-NRFANRHFSA-N 439.491 2.223 0 40 IEAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@@H]3CCCN3C(=O)CN(C)C)nc21 19741893 ZARBGBNNYAMGLU-IBGZPJMESA-N 437.544 2.498 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCCCN1CCc2ccccc21)c1ccccc1F 20107490 IFBUOVNEYKFCKV-UHFFFAOYSA-N 434.537 2.008 0 40 IEAB COc1ccc(CN(C[C@@H](O)COc2ccccc2OC)[C@@H]2CCS(=O)(=O)C2)cc1 20718664 FKTFMWJUZDFPSK-RTBURBONSA-N 435.542 2.133 0 40 IEAB Cc1ccc(-c2n[nH]c(SCC(=O)NN3C(=O)NC4(CCC(C)CC4)C3=O)n2)cc1 23805315 QTWNTUPEFFMTPR-UHFFFAOYSA-N 428.518 2.404 0 40 IEAB O=C(Cc1ccc(Br)cc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 26206467 ATMGWMFODUETHK-UHFFFAOYSA-N 444.395 2.257 0 40 IEAB COc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1S(=O)(=O)NC1CC1 29078477 WCJABYJVWYHBRS-INIZCTEOSA-N 441.513 2.156 0 40 IEAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 36383369 YWNXLQPQTASZEI-UZUQRXQVSA-N 435.524 2.487 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)N1CCC[C@H](CNS(C)(=O)=O)C1 58112532 FZIQAKGHPBDUEY-QZTJIDSGSA-N 433.578 2.077 0 40 IEAB COc1ccc(OC)c(CC(=O)N2CCC(n3nnc4c(O)nc(C5CC5)nc43)CC2)c1 72336843 NOTKWAYFRMONRM-UHFFFAOYSA-N 438.488 2.228 0 40 IEAB COc1ccccc1CC(=O)N[C@@H](C)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394886 NAIRYANIWDTHPT-PXNSSMCTSA-N 425.529 2.094 0 40 IEAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2nonc2C(=O)N2CCCCC2)cs1 78875565 MYRXIOFKCNVPOC-UHFFFAOYSA-N 444.473 2.487 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)Oc2ccccc21 219270772 DXFLBGWYFKQNPW-MRXNPFEDSA-N 448.888 2.233 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1)c1cccc(Br)c1 223639540 UAHPOQJIQWCGQF-UHFFFAOYSA-N 427.320 2.410 0 40 IEAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1C 223802274 RTELDLHGJUPZPJ-UHFFFAOYSA-N 438.527 2.367 0 40 IEAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1ccc2c(c1)OCCO2 224815350 WWBIARCDMPWIND-UHFFFAOYSA-N 434.514 2.199 0 40 IEAB COc1cc(CNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)ccc1OC(C)C 224839310 MUKZCJVIEICYEA-UHFFFAOYSA-N 428.536 2.407 0 40 IEAB O=C1CCc2cc(S(=O)(=O)NC[C@](O)(c3ccsc3)c3ccco3)cc3c2N1CC3 244975087 IATSKGFFBIVVKJ-NRFANRHFSA-N 444.534 2.391 0 40 IEAB CN1CCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H](Cc2cncc3ccccc23)C1 257212837 CFDRDRPGGLOFNO-QGZVFWFLSA-N 444.539 2.449 0 40 IEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCN3CCC[C@H](C)C3)s2)c1 260839112 IKPOUFQVUJWNFA-HNNXBMFYSA-N 437.591 2.499 0 40 IEAB Cc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(F)cc2)cc1 408601581 AOGKRJVZACSSRW-UHFFFAOYSA-N 449.548 2.168 0 40 IEAB COC[C@@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408618310 GFSQKLHYXSAYND-MRXNPFEDSA-N 436.530 2.046 0 40 IEAB COC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)sc2c1CCC2 408620622 PWAXUVMAIJXWDM-UHFFFAOYSA-N 437.543 2.275 0 40 IEAB O=C(N[C@H]1CO[C@@H](CN2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O)C1CCCC1 514289354 RCAADQWBHYOETF-SLFFLAALSA-N 441.494 2.262 0 40 IEAB biogenic,in-vitro O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575607715 VVZUIALZTXIDGT-CQSZACIVSA-N 437.834 2.330 0 40 IEAB COc1ccc(CNC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1OC 585289109 DVSPSFMDZYHEIW-UNMCSNQZSA-N 434.920 2.085 0 40 IEAB Cn1cccc(C(=O)N2CC[C@]3(CCc4nc(-c5ccccc5)cc(=O)n4CC3)C2)c1=O 1614940741 LMUNCVMCZYWVHF-VWLOTQADSA-N 430.508 2.478 0 40 IEAB COc1ccc(NC(=O)C2(N(CC(C)C)C(=O)Cn3nnnc3N)CCCCC2)cc1 718641 WOFGCGNDTZEHDO-UHFFFAOYSA-N 429.525 2.090 0 40 IEAB CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCCNC(C)=O)c2ccccc23)cc1 2693697 FBOPHOLMFLYCLT-UHFFFAOYSA-N 438.513 2.221 0 40 IEAB COCCN(C[C@H](O)Cn1cc(C=O)c2ccccc21)S(=O)(=O)c1ccc(C)cc1 8760464 AJXAJKKENOEDEO-LJQANCHMSA-N 430.526 2.460 0 40 IEAB Cc1cc(=O)oc2c3c(cc(OCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)c12)OC(C)(C)CC3 8879818 ZHZIDZPMMVHINO-AWEZNQCLSA-N 449.525 2.229 0 40 IEAB biogenic C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)C1 9507936 AXFGPWUJQQQPAF-ROUUACIJSA-N 443.573 2.106 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 9569879 NUQFRTGAPPIIFW-UHFFFAOYSA-N 425.913 2.361 0 40 IEAB CCOC(=O)N1CCC(NC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 9584082 QNPYPKCDPVXFNR-UHFFFAOYSA-N 440.566 2.137 0 40 IEAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11998119 QZQGSPJOEDKCEH-HXUWFJFHSA-N 427.526 2.320 0 40 IEAB COc1cc(CN2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc2c1OCO2 12089488 UCQOQMUXSABWFX-OAQYLSRUSA-N 431.514 2.366 0 40 IEAB COc1ccc(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)cc1CN1CCOCC1 12329004 UGKXERZCIAEACC-UHFFFAOYSA-N 447.539 2.231 0 40 IEAB Cc1noc(C)c1COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 12973351 QOQYLKZXLDBQEL-UHFFFAOYSA-N 429.498 2.490 0 40 IEAB COc1ccc(/C=C/C(=O)N[C@H](C(=O)OCn2nnc3ccccc3c2=O)C(C)C)cc1 13108154 FNCUCTVLLOGZJX-BGVYSJOJSA-N 436.468 2.155 0 40 IEAB COc1ccc(CC(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 13149723 OGOROXMSCYLAEH-UHFFFAOYSA-N 439.468 2.226 0 40 IEAB CC[C@@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 13287470 VELULQHFLLUZCG-MCIONIFRSA-N 446.953 2.209 0 40 IEAB C[C@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 14068743 VZDLJUZJGXLMAF-HNNXBMFYSA-N 430.468 2.260 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N=C(N2CCN(c3ccccc3F)CC2)N1 14607034 JZPAIEHIZRTISC-GOSISDBHSA-N 439.491 2.148 0 40 IEAB Cc1ccc(-c2c(C)sc3nc(CN4CCN(S(C)(=O)=O)CC4)[nH]c(=O)c23)cc1 15401303 VSUPDZIFHZJGDP-UHFFFAOYSA-N 432.571 2.346 0 40 IEAB O=C(O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 16033797 LGEIMNNDBQRHJD-BREDGVMVSA-N 439.855 2.130 0 40 IEAB C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 16869318 DBBLOJBWJVFITP-OCCSQVGLSA-N 435.523 2.498 0 40 IEAB COc1cc(CN2CCC(c3cc(O)nc(N4CCCC4)n3)CC2)ccc1OCC(N)=O 19550183 BHJBDVAFCRSBKR-UHFFFAOYSA-N 441.532 2.035 0 40 IEAB CC1CCN(CCNS(=O)(=O)c2ccc3c(c2)C[C@H](NC(=O)C2CCCC2)C3)CC1 19749580 FMDYYDKGFYDHCS-OAQYLSRUSA-N 433.618 2.470 0 40 IEAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1 20560200 FWLVYDWVDRHVLE-HXUWFJFHSA-N 429.517 2.441 0 40 IEAB CCOc1ccc(CN(C)C(=O)COC(=O)CSCC(=O)Nc2cc(C)on2)cc1 21331881 TZTSYOMJRZYZCT-UHFFFAOYSA-N 435.502 2.255 0 40 IEAB CCc1ccccc1N(CC(=O)NCc1ccc(OC)c(OC)c1OC)S(C)(=O)=O 22329782 MFMWKFVQRRBHRR-UHFFFAOYSA-N 436.530 2.357 0 40 IEAB CNS(=O)(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1 24094014 KTQBMIKFGSMXJW-UHFFFAOYSA-N 426.498 2.283 0 40 IEAB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccccc1O 32579362 LVRODBSATXIDKT-UHFFFAOYSA-N 429.477 2.363 0 40 IEAB COc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1NS(=O)(=O)c1ccc(F)cc1 32780796 WVUKACFURKTAEB-LBPRGKRZSA-N 442.490 2.008 0 40 IEAB CCOC(=O)C1=C(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)NC(=O)N[C@H]1c1ccco1 32797389 LNUJTRPFPWAUNJ-YJYMSZOUSA-N 447.513 2.205 0 40 IEAB COc1ccc(N[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 34879009 IVDAEEGVYHHXKR-YESZJQIVSA-N 439.578 2.021 0 40 IEAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(S(=O)(=O)NC2CC2)cc1 40013528 DZUPLNSXZYCWPX-UHFFFAOYSA-N 439.419 2.119 0 40 IEAB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccccc2OC)c1 57327660 AXUHLMRGHXAYLN-UHFFFAOYSA-N 429.498 2.445 0 40 IEAB CC(=O)NCC(=O)N1CCO[C@@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)N(C)C)C1 72389158 CUKOFESLUFKJLI-RUZDIDTESA-N 437.540 2.026 0 40 IEAB COC(=O)COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)OC)ccc1OC 79191441 JEBTWFNKPFFSSA-RXVVDRJESA-N 440.404 2.419 0 40 IEAB biogenic O=C(NC[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 89884738 TYVAOICRLUMXNW-ZWKOTPCHSA-N 439.564 2.028 0 40 IEAB COc1ccc(-c2nn(CCCC(=O)NCCCn3ccnc3)c(=O)cc2OC)cc1 96100920 UZACHMBGDKSJSM-UHFFFAOYSA-N 425.489 2.111 0 40 IEAB Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)cc1C 96251306 VPVYXVRWWAOGPC-RDGATRHJSA-N 437.588 2.480 0 40 IEAB CCc1ccccc1NC(=O)CN1CCN(CN(C)S(=O)(=O)c2ccc(C)cc2)CC1 97601695 QBFPDJLWZNPFGQ-UHFFFAOYSA-N 444.601 2.392 0 40 IEAB CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 101261731 YMLJWSIWMJJMGD-IVMZMKDDSA-N 436.555 2.165 0 40 IEAB Cc1noc([C@H]2CCCN([C@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C2)n1 105727794 DZTFHPZJAJKDOH-PWSUYJOCSA-N 425.411 2.118 0 40 IEAB Cc1c(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 113957931 VLRVUCCLDRTQBU-OAHLLOKOSA-N 446.504 2.417 0 40 IEAB Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1N(C)S(C)(=O)=O 222476748 CUVUGQSOJBPKQL-UHFFFAOYSA-N 431.514 2.116 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC(N)=O)cc3)cc2)CC1 222754077 LYDNIPDFZZNMDJ-UHFFFAOYSA-N 445.541 2.153 0 40 IEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 222887900 VHXORYMPXONSFL-LJQANCHMSA-N 445.585 2.275 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 223963077 YNOJPDUMLJHZHD-AWEZNQCLSA-N 439.509 2.333 0 40 IEAB COc1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1N1C(=O)CCC1=O 225845502 FIXPVCWBFDEUIW-UHFFFAOYSA-N 443.525 2.080 0 40 IEAB O=C1COc2ccccc2C/C=C/CC2(CCN(S(=O)(=O)N3CCCC3)CC2)CN1 257294608 QUWICEOADGCAKR-ONEGZZNKSA-N 433.574 2.107 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCCOc2ccc(F)cc2)Oc2ccc(Cl)cc21 260846213 JEWJRLYUXUBRJZ-QGZVFWFLSA-N 428.869 2.201 0 40 IEAB COCC(=O)N1CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2[C@H]1c1ccccc1 306128377 GYRUAASINVRQPL-LJQANCHMSA-N 439.903 2.440 0 40 IEAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCc1nnnn1-c1ccccc1 593072132 BRGIXRXZDAVSIQ-QGZVFWFLSA-N 440.891 2.245 0 40 IEAB NC(=O)C1(c2ccccc2)CCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 608085899 SHYJNAOKVAOEMB-UHFFFAOYSA-N 427.448 2.376 0 40 IEAB CC(=O)N1CCCN(C)CCN(C(=O)c2nn(C)c(=O)c3ccccc23)Cc2ccccc21 643557122 GTXRHOCHZKLAPC-UHFFFAOYSA-N 447.539 2.264 0 40 IEAB COc1ccccc1OCC(=O)Nc1nonc1NC(=O)COc1ccccc1OC 677046 NWOGLJONXCFIHD-UHFFFAOYSA-N 428.401 2.122 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 784021 NAJZXHLICWFIET-UHFFFAOYSA-N 443.569 2.445 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(OC)c1 3486516 ZHMWMHORWDVHBJ-VQHVLOKHSA-N 434.489 2.389 0 40 IEAB CCCCOc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 4583349 LYATYCGTUBXXAF-UHFFFAOYSA-N 425.533 2.455 0 40 IEAB Cc1nc2ccccc2n1CCNC(=O)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9200677 UCYZXJYYFPSXMU-IBGZPJMESA-N 437.525 2.074 0 40 IEAB CN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 9662819 XZYHDXZNNDZXSR-KRWDZBQOSA-N 443.554 2.067 0 40 IEAB Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)c1 9667735 ZOMPUNCMDSFKOE-GOSISDBHSA-N 445.541 2.309 0 40 IEAB Cc1nn(C)c2sc(C(=O)NCc3ccccc3CS(=O)(=O)N3CCOCC3)cc12 10278078 ACFBRNJESHBPJH-UHFFFAOYSA-N 448.570 2.035 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 10441049 QYGSNYRSMALSEQ-UHFFFAOYSA-N 436.486 2.285 0 40 IEAB CC(=O)N1CCCN(CC[C@H]2CN(C(=O)c3ccc(F)cc3)CC[C@H]2CC(=O)O)CC1 12481082 JHCCWTDKQUFIQO-PMACEKPBSA-N 433.524 2.323 0 40 IEAB biogenic,in-vitro O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 12945236 PPZJXNQKSIHJNN-AEFFLSMTSA-N 446.500 2.270 0 40 IEAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1 13084843 IYGHCYANSQUURT-OAQYLSRUSA-N 429.467 2.433 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 16009926 RDYYNNNAKVQNDY-VKDGWMQASA-N 431.448 2.043 0 40 IEAB CCOC(=O)C1=C(Cn2nnc(-c3ccccc3)n2)NC(=O)N[C@@H]1c1ccc(OC)cc1 16046236 WHHYLRJLTVENTE-LJQANCHMSA-N 434.456 2.220 0 40 IEAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 17712167 INCQRERAJIXSSL-OPAMFIHVSA-N 436.464 2.374 0 40 IEAB CCOc1ncccc1C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 18091205 HGJJOXHXPBZZSK-UHFFFAOYSA-N 438.937 2.322 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)[nH]c2=O)C1 19501661 BWRVYGLSHUTDMR-LJQANCHMSA-N 438.532 2.423 0 40 IEAB Cn1nc(C(=O)N2CCO[C@@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)ccc1=O 19693382 JIYOTVFWOOFPNY-MRXNPFEDSA-N 445.401 2.470 0 40 IEAB Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N2 19819965 GISCKUNPOXDHCD-JTQLQIEISA-N 437.287 2.267 0 40 IEAB Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1C 22329757 PYVWRUKKMRRCJY-MRXNPFEDSA-N 438.571 2.350 0 40 IEAB Cc1cccc(NC(=O)CSc2nc(=O)n(CCCN3CCOCC3)c3c2CCC3)c1 22908993 VOSKTDLBBWBBPK-UHFFFAOYSA-N 442.585 2.494 0 40 IEAB COc1cc(C(=O)NCCCCN2CCC(C(N)=O)CC2)cc(OC)c1Br 32916657 YSXSAYBRHVUCSN-UHFFFAOYSA-N 442.354 2.174 0 40 IEAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCCNC(=O)c2ccc(O)cc2)c1 48290890 IIQGOPVSEZAZNE-UHFFFAOYSA-N 426.473 2.331 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N(C)Cc1cnc(C)s1 48339737 LENNDCBDGXGDBT-GFCCVEGCSA-N 426.564 2.169 0 40 IEAB Cc1ccc(C)c2sc(N(C)CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)nc12 70973830 DOIZGSROHMXZBX-UHFFFAOYSA-N 432.571 2.356 0 40 IEAB CC(C)(CNC(=O)c1cc(Br)ccc1I)C(N)=O 72011200 JWDODEGWTSCAOX-UHFFFAOYSA-N 425.064 2.295 0 40 IEAB C[C@@H](NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)c1cccs1 72326411 RGTCSEANIHUMHU-LKBUQDJMSA-N 427.530 2.273 0 40 IEAB Cc1c([C@H]2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)N(C)S(=O)(=O)N2)cnn1C 72335062 RNKGTLXSMFTMGY-HUUCEWRRSA-N 432.333 2.254 0 40 IEAB CCCN1CCN(C(=O)[C@H]2CC(=O)N(C)C2)[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351906 KUFCCZSQEOTFGJ-VXKWHMMOSA-N 434.540 2.219 0 40 IEAB O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Cc1ccccc1 95385647 WOQMQAJWEVWPDS-OAQYLSRUSA-N 427.570 2.021 0 40 IEAB CCN1C(=O)C2(CCN(c3ncccn3)CC2)CC12CCN(C(=O)c1cc(C)on1)CC2 96262379 RXSXPFJICIEJIM-UHFFFAOYSA-N 438.532 2.287 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1Br 140931302 WXZRHOLQIJVHKA-BMEPFDOTSA-N 447.285 2.046 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2cccc(OC)c2)S(C)(=O)=O)CC1 220619991 UDAIASLBGRUXIJ-SFHVURJKSA-N 426.535 2.042 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1 226056462 QJVKXGLTUISWQA-UHFFFAOYSA-N 442.497 2.013 0 40 IEAB Cc1cc2nc(CCC(=O)N3C[C@@H](O)[C@H](n4ccc5c(C(N)=O)ccnc54)C3)[nH]c2cc1C 257205090 AXPRXAIPLKCVCN-WOJBJXKFSA-N 446.511 2.005 0 40 IEAB O=C(NCc1ccccc1)c1cn2c(nc1=O)[C@@]1(CCN(C(=O)c3ccccc3)C1)CC2 306136068 PIGDUWJPTQMECX-RUZDIDTESA-N 428.492 2.361 0 40 IEAB COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)cc2)cc1OC 409121852 YHERVFAZCGBQSQ-UHFFFAOYSA-N 429.292 2.383 0 40 IEAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3cccc(OC(F)F)c3)CC1)CC(=O)N2C 1772596214 WJCSWCNWHSCCFC-UHFFFAOYSA-N 440.472 2.339 0 40 IEAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)N2CCCCC2)c(OC)c1 828124 XRFAJMYBRNWETA-HXUWFJFHSA-N 447.557 2.442 0 40 IEAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CN2C(=O)CN(C)C2=O)nc1C 3251608 QJPLPILLJOTXDY-UHFFFAOYSA-N 430.486 2.055 0 40 IEAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)NCc1ccc2c(c1)OCO2 3528879 BKJHCHYESXHLTB-UHFFFAOYSA-N 449.463 2.325 0 40 IEAB CC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 6631799 HXCKZCSNRXIWJR-HNNXBMFYSA-N 445.545 2.317 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCCC3=O)CC2)cc1 9364311 ZMKMKXCSEXUWLG-UHFFFAOYSA-N 435.590 2.220 0 40 IEAB Cc1cccc(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3)CC2)c1 9714163 FUAAGUISAVVSDH-UHFFFAOYSA-N 444.539 2.102 0 40 IEAB C[C@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc(-n2cncn2)cc1 12697294 LITWWZMDUFCHCQ-XDHUDOTRSA-N 446.511 2.388 0 40 IEAB CN(Cc1ccsc1)C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12855370 CJURJYAUAKCKTP-UHFFFAOYSA-N 434.008 2.428 0 40 IEAB COc1cc(C(=O)OCC(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1 13038891 YHHDUDYINDPMEC-UHFFFAOYSA-N 442.468 2.037 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c(C)c1 13649570 KNCIHCXYZZEHET-UHFFFAOYSA-N 434.470 2.305 0 40 IEAB COCCn1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nc2c([nH]c3ccccc32)c1=O 13956821 XJLRMMDYGGLOKP-OKILXGFUSA-N 430.530 2.252 0 40 IEAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 14023111 VUPSJHYAKJHRAP-TZMCWYRMSA-N 440.616 2.391 0 40 IEAB C[C@]1(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)CCS(=O)(=O)C1 14124523 CSKCOBBCXFJODE-KRWDZBQOSA-N 426.589 2.051 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3c3ccc4c(c3)OCCO4)nc2)CC1 15130171 KPPDBNSUTWPQIR-IBGZPJMESA-N 444.557 2.130 0 40 IEAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 16038537 XYJHJKBRXBIALT-ZIBCJSCZSA-N 431.448 2.301 0 40 IEAB 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GCGVVGWZIGHXHU-UHFFFAOYSA-N 433.447 2.077 0 40 IEAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 14023121 VUPSJHYAKJHRAP-JSGCOSHPSA-N 440.616 2.391 0 40 IEAB COCCn1c(S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1-c1ccncc1 15852614 LPODWRXPGJPKSX-GFCCVEGCSA-N 439.501 2.275 0 40 IEAB COCCn1nnnc1[C@H](c1ccccc1OC)N1CCN(c2ccccc2F)CC1 19594129 JHHACJXZJGRZDV-NRFANRHFSA-N 426.496 2.379 0 40 IEAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(CCc3ccccc3)CC1)C2=O 19699434 ZSQDVGNXZZXYSP-UHFFFAOYSA-N 426.561 2.263 0 40 IEAB COc1ccccc1S(=O)(=O)N1CCO[C@H](c2c(C(N)=O)sc3ncccc23)C1 19703258 WDJUGSXMUMKTSL-AWEZNQCLSA-N 433.511 2.166 0 40 IEAB Cc1sc2nc(CN3CCN(CC(=O)NC4CCC(C)CC4)CC3)[nH]c(=O)c2c1C 21841982 XIXBYUVTPCDREN-UHFFFAOYSA-N 431.606 2.414 0 40 IEAB CC(C)(C)OC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 22822308 ZYMBIGGZRXMXFX-LJQANCHMSA-N 439.556 2.229 0 40 IEAB CNC(=O)Cc1csc(NC(=O)Cc2c(C)nc(SCc3ccccc3)[nH]c2=O)n1 23138465 OVKDBBVUILBKQB-UHFFFAOYSA-N 443.554 2.297 0 40 IEAB O=C(c1cccnc1N1CCCC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 23818602 OQGJQHWTNMHLND-VCHYOVAHSA-N 426.542 2.440 0 40 IEAB COc1cc(C)c(S(=O)(=O)Oc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1OC 27944181 PWUYGCAAISFMSJ-UHFFFAOYSA-N 434.514 2.448 0 40 IEAB COc1cc(NC(=O)[C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC 32088651 YAZALWDCRLNSDA-LSDHHAIUSA-N 441.484 2.209 0 40 IEAB CC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)ccc2c1=O 32636746 NSPKMROSAKGKPX-OAQYLSRUSA-N 436.512 2.074 0 40 IEAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nnc(CCC(N)=O)n1C[C@H]1CCCO1 32908777 WYUXEOZJYTVFFW-DOTOQJQBSA-N 431.562 2.187 0 40 IEAB O=C(Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1)Nc1ccc(-n2cnnn2)cc1 36709176 RMCIBNIGRHBLQO-UHFFFAOYSA-N 449.452 2.281 0 40 IEAB O=C(NCCCNc1ncccn1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 40135621 RZMHQWCOEDLJQE-LICLKQGHSA-N 429.546 2.108 0 40 IEAB CS(=O)(=O)c1cnc(-c2ccccn2)nc1C1CCN(C(=O)CN2CCCCC2)CC1 72335840 ZYZHSPASDCPLHE-UHFFFAOYSA-N 443.573 2.134 0 40 IEAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 72380729 AIPTWEKATDOPOD-GOSISDBHSA-N 426.517 2.230 0 40 IEAB CN1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 79074139 NNWALNKDNLRJEI-MSOLQXFVSA-N 430.549 2.245 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCCc1ccc(Cl)cc1 89787487 BGMQLICWXIEECZ-UHFFFAOYSA-N 439.940 2.144 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)cc1 96225249 FPRHASZDCGFURK-JOCHJYFZSA-N 442.541 2.348 0 40 IEAB O=C(c1ccccc1F)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 97137026 GXKQYLVTCWBSLQ-HXUWFJFHSA-N 435.459 2.287 0 40 IEAB COc1cccc(Cn2nccc2NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1OC 101426150 RCTRWPCNTYNHRL-CALCHBBNSA-N 440.500 2.452 0 40 IEAB COc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 222912884 QUUZEXPZUAMQLX-UHFFFAOYSA-N 440.543 2.134 0 40 IEAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(C)CC1 223641781 HYCDOESTSAHHKC-UHFFFAOYSA-N 443.978 2.385 0 40 IEAB CN(c1cccc(NC(=S)NCc2ccccc2CN2CCOCC2)c1)S(C)(=O)=O 225778105 XYVALGJLZQSVTG-UHFFFAOYSA-N 448.614 2.401 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCSc3nc(C)n[nH]3)C2)c1 225920147 WZDJRHZCAGQBPO-INIZCTEOSA-N 437.591 2.039 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 226035480 YOSSOSJKKBRNTO-UHFFFAOYSA-N 445.541 2.119 0 40 IEAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccc(Nc2ncccn2)c1 257238005 HJEFNSKBIPBLPR-NRFANRHFSA-N 430.512 2.293 0 40 IEAB CNC(=O)[C@H]1CN(C(=O)c2ccccc2OCc2nonc2C)CCN1Cc1ccccc1 257247382 IYTSSXKGCRXUJI-OAQYLSRUSA-N 449.511 2.030 0 40 IEAB Cc1ccc(C(=O)N2CCN(C)C[C@](O)(Cn3cccn3)C2)cc1NCc1cccnc1 257249722 JJMWOZUFSLDVLM-XMMPIXPASA-N 434.544 2.018 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)Cn3cccn3)C2)nc2c1CC(=O)N2Cc1ccccc1F 257253561 JZJVIISTRPTJDG-QGZVFWFLSA-N 434.475 2.226 0 40 IEAB Cc1ccc(C(=O)N2CCN(C)C[C@](O)(Cn3cccn3)C2)cc1NCc1ccncc1 257312325 UNKBBETYFXTSKU-XMMPIXPASA-N 434.544 2.018 0 40 IEAB O=C(c1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cnc4ccccc4c3)C2)C1 514290096 SRKWXWHUTJBURW-XZOQPEGZSA-N 428.536 2.380 0 40 IEAB biogenic,in-vitro CC(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)c2ccccc21 555740295 YCUAMIKJMWUBRY-BGYRXZFFSA-N 434.496 2.215 0 40 IEAB O=S(=O)(c1ccc(Br)s1)N1CCCc2cnc(N3CCOCC3)nc21 667391870 YQGJOQRYPAWXLF-UHFFFAOYSA-N 445.364 2.279 0 40 IEAB CC(C)(C)c1ccc(OC[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)C2)nn1 1888888058 FSIMVYDDRVNZFD-CQSZACIVSA-N 430.530 2.358 0 40 IEAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)Cc5ccc(Cl)cc5)C[C@H]4C3)nn12 1888941712 MGXOXUYCJRJDGA-HZPDHXFCSA-N 446.964 2.238 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)c1 1888994475 IPQICWBPQSCMNQ-HZPDHXFCSA-N 442.541 2.347 0 40 IEAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)O)ccc12 2130072 DJKPMGQAYBHPDA-LJQANCHMSA-N 436.420 2.479 0 40 IEAB biogenic Cn1c(=O)c2c(nc(Br)n2Cc2ccc(Br)cc2)n(C)c1=O 2570367 FTGYHYHFELGSEE-UHFFFAOYSA-N 428.084 2.007 0 40 IEAB CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccccc3F)c2n1 8793885 QALIHPNRYSLZAY-UHFFFAOYSA-N 430.509 2.344 0 40 IEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NC(=O)NC1CCCC1 9633490 XZUPRPXNEWABOA-QGZVFWFLSA-N 425.432 2.031 0 40 IEAB COc1cccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 9699431 XSBRQTXIKQDVPY-FPTDNZKUSA-N 431.489 2.314 0 40 IEAB O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NC[C@@H]1CCCO1 9831246 AQWBCWCLKGLNQC-SFHVURJKSA-N 431.496 2.320 0 40 IEAB CCOC(=O)c1sc(NC(=O)Cn2nc(-c3cccc(OC)c3)ccc2=O)nc1C 10132048 QEEYOGTYJJTOSP-UHFFFAOYSA-N 428.470 2.499 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)cc1Cl 10326629 MKWSDIKGGOGLLB-NSHDSACASA-N 425.894 2.241 0 40 IEAB CC(C)NC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1 12480927 KJTXEGFMXCILKP-LWYYNNOASA-N 444.576 2.188 0 40 IEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCN(C(=O)CCOc3ccccc3)CC2)cc1OC 12693585 RDNUEIGGWUAMPR-UHFFFAOYSA-N 434.514 2.006 0 40 IEAB Cc1cccc(C(=O)NCCC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 12910830 IEJWPPUGNJDAGI-UHFFFAOYSA-N 447.532 2.177 0 40 IEAB COc1ccc(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1Br 12914531 LVSGUVCEPBEYDE-UHFFFAOYSA-N 441.347 2.397 0 40 IEAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC[C@H](C)c2ccccc2)cc1 12919805 XTKGNSQKOPKBNB-HHNLSAEISA-N 430.526 2.348 0 40 IEAB O=C(CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)CC1)Nc1ccccc1 12971754 WDONZCZFZNCHRX-GOSISDBHSA-N 440.569 2.383 0 40 IEAB O=C(CCn1c(=O)c2sccc2n(CC(=O)N2CCCCCC2)c1=O)N1CCCCC1 13592662 AKJRBKBPMXPPPH-UHFFFAOYSA-N 446.573 2.030 0 40 IEAB CCCn1c(O)nnc1S[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 16787821 MWVFNNIDZSRKRM-JTQLQIEISA-N 447.970 2.417 0 40 IEAB O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400053 VECCTUFIKRRICO-HXUWFJFHSA-N 447.470 2.480 0 40 IEAB CN(C)[C@H]1N(C(=O)c2ccccc2Br)N=C2c3ccccc3S(=O)(=O)N21 19831634 HPZAHWIPSJMPOH-KRWDZBQOSA-N 435.303 2.116 0 40 IEAB O=P([C@@H](c1c[nH]c2ccccc12)N1CCOCC1)(N1CCOCC1)N1CCOCC1 19848939 ALRMUAGBCZVUJC-NRFANRHFSA-N 434.477 2.356 0 40 IEAB Cn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)N1CCCCC1 20416297 TYMPJXPHHNQYMB-UHFFFAOYSA-N 441.554 2.025 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@@H]1c1ccc(F)cc1 20674815 YCFYSUODLCAMTQ-WOJBJXKFSA-N 442.466 2.493 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 20738392 PIJQZANUACJWBY-KKSFZXQISA-N 435.480 2.430 0 40 IEAB CCc1nnsc1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 22685090 PKHJXYPMEHGBFE-UHFFFAOYSA-N 434.465 2.266 0 40 IEAB CCn1c(=O)n(CC(=O)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)c2ccccc21 24024502 PTZNPWBFUALIPX-QFIPXVFZSA-N 449.511 2.479 0 40 IEAB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O 24509345 FYGRQPQNSOMMOD-NRFANRHFSA-N 430.411 2.179 0 40 IEAB CCOc1ccc(CCNC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1OCC 28096644 FSQPWKHPHRZYEX-UHFFFAOYSA-N 438.532 2.497 0 40 IEAB Cc1nonc1CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)C(C)C)ccc23)CC1 36359514 LKVPZALEXLJUJF-HXUWFJFHSA-N 440.504 2.397 0 40 IEAB CN(Cc1c(Br)cnn1C)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 36614526 PPFTWFQQODTPDV-UHFFFAOYSA-N 427.324 2.130 0 40 IEAB COc1cc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)c(C)cc1C 42379722 UKALXXRNDDZDFF-UHFFFAOYSA-N 431.562 2.213 0 40 IEAB COC(=O)c1ccc2c(=O)n(Cc3ccc(F)cc3)c(N3CCC(C(N)=O)CC3)nc2c1 49006466 UIACDXQTOMSSEO-UHFFFAOYSA-N 438.459 2.072 0 40 IEAB CC(=O)Nc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1 67301072 KOJUOCKHXGPSNN-UHFFFAOYSA-N 438.459 2.490 0 40 IEAB Cc1nc(COc2cccc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCCCC3)c2)cs1 69978803 LXBAHHVOOWUSMN-PMACEKPBSA-N 449.598 2.412 0 40 IEAB COC(=O)N1CCc2ccc(Br)cc2[C@@H]1C(=O)NCCCN1CCCC1=O 77200077 PPDUOJLUSWPGHU-QGZVFWFLSA-N 438.322 2.243 0 40 IEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 102319506 NDZRXBHNYYYTOV-OALUTQOASA-N 445.541 2.141 0 40 IEAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 104667852 IWNDPIZGSQAVPY-RZLSGREXSA-N 427.457 2.012 0 40 IEAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCC(C(N)=O)CC3)cc2)cc1 108180747 ZSKFRDURVHUBQZ-UHFFFAOYSA-N 429.542 2.452 0 40 IEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)N(CC(F)(F)F)[C@H](C)C1CC1)C2=O 108848552 PSAVKVASRZKACH-XEKQOVJPSA-N 447.454 2.220 0 40 IEAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 222670516 WZNMMWFTHZHTJW-UHFFFAOYSA-N 434.470 2.371 0 40 IEAB COc1ccc(CN(C(C)=O)[C@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc1 223544016 DDAGGMGATYRNMM-QHCPKHFHSA-N 425.529 2.233 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN3CCCC3=O)cc2C)cc1 224213663 SPJPTHOHDQPMEM-UHFFFAOYSA-N 429.542 2.481 0 40 IEAB O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)[C@H]13 245230058 KVXGJFXNCYBZOS-YTMMVNBISA-N 449.551 2.065 0 40 IEAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccc(Nc2ncccn2)c1 257238006 HJEFNSKBIPBLPR-OAQYLSRUSA-N 430.512 2.293 0 40 IEAB Cc1cc(C)n(-c2cccc(C(=O)NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c2)n1 257246080 ISJQYQZYEZPGKJ-UHFFFAOYSA-N 433.511 2.011 0 40 IEAB CN1CCN([C@H]2CC[C@](CNC(=O)CC3CCOCC3)(c3ccccc3)CC[C@@H]2O)CC1 257276584 NUJPHNRNEXBRFM-GNKBHMEESA-N 443.632 2.408 0 40 IEAB COc1ccc(C(=O)N2CCC(NC(=O)c3nnc(O)c4ccccc34)CC2)cc1OC 605310467 RJJGCUNKLXGVKE-UHFFFAOYSA-N 436.468 2.387 0 40 IEAB COc1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2OC)c(OC)c1 932179 OVDOJMVBPDEKEW-UHFFFAOYSA-N 431.474 2.428 0 40 IEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)cc2)n1 4022993 HVEIJRPFCHFENC-GFOFROLCSA-N 428.470 2.047 0 40 IEAB Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 6444636 XQGLXWKZTLEAMA-OAHLLOKOSA-N 427.892 2.339 0 40 IEAB CC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC 6631808 SRGPVLTUKOQVAI-ZDUSSCGKSA-N 445.545 2.317 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(-c2cccnc2)o1 9126240 VJUHPEDWNJGAPU-UHFFFAOYSA-N 433.515 2.421 0 40 IEAB CC(C)NC(=S)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CCCCN21 9128681 NKWRPYDCQFRKOU-KRWDZBQOSA-N 443.573 2.333 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O 9610002 LAIRHZIAAMYTOL-XMMPIXPASA-N 449.463 2.235 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3COc4ccccc4O3)c2)C[C@H](C)O1 9783159 PQWRSSWBHXARSP-XYJFISCASA-N 446.525 2.054 0 40 IEAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)no1 10606288 HHONTMNLIQBNHV-UHFFFAOYSA-N 429.502 2.469 0 40 IEAB COc1ccc(C2=NN(CC(=O)N3CCOCC3)C(=O)c3cc4ccccc4n3C2)cc1 12113610 LSVPITSEJPCCPT-UHFFFAOYSA-N 432.480 2.369 0 40 IEAB O=C(Nc1nnc(-c2ccno2)o1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 12234613 QTIAYQDUKLZSEM-SECBINFHSA-N 443.894 2.479 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1 12584285 UIYUWRBUVCHDKW-UHFFFAOYSA-N 428.514 2.057 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H]2COc3ccccc3O2)cc1 12759993 HPNRHCHMUMBVDD-KUHUBIRLSA-N 448.497 2.084 0 40 IEAB COc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(N(C)S(C)(=O)=O)cc1OC 13582688 JTQQHIXZYCIWKU-UHFFFAOYSA-N 433.530 2.062 0 40 IEAB CCOC(=O)C1CCN(C(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2Cl)CC1 15858356 CWGDKJRDBKPIGT-GFCCVEGCSA-N 442.921 2.068 0 40 IEAB O=C(CN(C(=O)[C@H]1CSC(=O)C1)c1cccc(F)c1)NCc1ccc2c(c1)OCO2 15935650 FCLIUEKMJOVVFY-CQSZACIVSA-N 430.457 2.484 0 40 IEAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 16643958 PARAYWYDYHJKSH-UHFFFAOYSA-N 431.514 2.237 0 40 IEAB Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C[C@H]3CCCCO3)CC2)n1 19758635 GYJFZVJQQBFFNP-HXUWFJFHSA-N 439.560 2.485 0 40 IEAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1nc(C)ncc1C(=O)NCc1ccccc1 19767160 IHUFRLVGLKLSRC-LJQANCHMSA-N 431.562 2.439 0 40 IEAB O=C(c1ccncc1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 20744542 OMQUCSQUDYPVQK-MRXNPFEDSA-N 446.429 2.438 0 40 IEAB C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)N1CCc2sccc2C1 23349638 FMFOFWVQVXROQT-JTQLQIEISA-N 428.919 2.179 0 40 IEAB O=C(COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(Cl)cc1Cl 23653933 GGGXISLENSUIPZ-UHFFFAOYSA-N 442.299 2.408 0 40 IEAB Cc1ccccc1-n1ncc(C(=O)NCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1C1CC1 29186899 MVEUAMUGPSBEGR-CALCHBBNSA-N 446.573 2.227 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1=NN(c2ccccc2)C(=O)CC1 30064111 KIUCGYVNEAMCLV-UHFFFAOYSA-N 426.498 2.009 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 31070951 OPLNZSAUXJFQAT-UHFFFAOYSA-N 429.542 2.329 0 40 IEAB CCn1nnc(NC(=S)NC(=O)c2cc(I)ccc2Cl)n1 32126602 WEAPPUDOKCZDFL-UHFFFAOYSA-N 436.666 2.078 0 40 IEAB C[C@H]1CN(CCCNC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C[C@H](C)O1 36413127 ROWHPCLATPIKIA-QYZOEREBSA-N 437.606 2.336 0 40 IEAB Cc1cccc(N2CCN(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)CC2)c1C 38145341 XPQPUVJSXVUPCD-OAQYLSRUSA-N 433.618 2.384 0 40 IEAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)C1 69483864 JEFLHOUJBFJKJL-LBPRGKRZSA-N 431.440 2.437 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]2Cc2c(C(N)=O)sc3ccccc23)CC1 72370339 AHVFDYADQKFVLO-OAHLLOKOSA-N 449.598 2.205 0 40 IEAB CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cn1 84791159 TWNMNPZHHPJKBX-ZDUSSCGKSA-N 434.518 2.280 0 40 IEAB Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 95482525 PGQIKOSVEASJHH-UHFFFAOYSA-N 431.558 2.048 0 40 IEAB O=C(N1CCOCCOCCOCCOCCOCC1)C12CC3CC(CC(C3)C1)C2 143820844 GJUZCNYRYANAEM-UHFFFAOYSA-N 425.566 2.128 0 40 IEAB O=C(CNS(=O)(=O)c1ccccc1F)NC[C@H]1CCCN1c1nc2ccccc2o1 206772270 ODXRTQPPRQZZAW-CQSZACIVSA-N 432.477 2.030 0 40 IEAB Cc1ncc(-c2cc(CC3CCN(C4CCN(S(C)(=O)=O)CC4)CC3)ccn2)n1C 257324151 WNKFXXWTTRFEAM-UHFFFAOYSA-N 431.606 2.469 0 40 IEAB O=C1CN(C2CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)C(=O)N1C1CC1 618256639 VGQHOGBZZUTVID-UHFFFAOYSA-N 445.463 2.426 0 40 IEAB O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(-n2cnc3ccccc32)nc1 1543283591 FPVDFTXOIVCCAS-UHFFFAOYSA-N 425.445 2.477 0 40 IEAB CCCOc1cccc(CCNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)c1 1566548091 VBMXAFSMFKXAJK-DENIHFKCSA-N 428.504 2.478 0 40 IEAB Cn1c(N)c(-c2nc(-c3ccc4c(c3)OCO4)c(C(=O)C(C)(C)C)s2)c(=O)n(C)c1=O 2659393 LRERXVVMLRGTHV-UHFFFAOYSA-N 442.497 2.414 0 40 IEAB O=C(COC(=O)c1cccc(I)c1)NC(=O)NCc1ccccc1 3283188 FDKVYPAOIKAECI-UHFFFAOYSA-N 438.221 2.474 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1C 3360474 PXABCLGESQCCOU-UHFFFAOYSA-N 430.498 2.277 0 40 IEAB COc1ccc(C(OC[C@@H](O)CN2CCC(C(N)=O)CC2)c2ccc(OC)cc2)cc1 3422557 STEMWCURQRXHIP-FQEVSTJZSA-N 428.529 2.368 0 40 IEAB O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 6089014 LRCPPSVQHHIGHS-UHFFFAOYSA-N 437.524 2.356 0 40 IEAB O=C(N[C@H]1CCN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]2C1)c1cnccn1 8295011 GEYJYDOJEQYKFJ-NHYWBVRUSA-N 435.362 2.105 0 40 IEAB biogenic,in-vitro COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C(C)=O)cc3)=C2)c1 8587801 IRKWYAPWMYVYGX-UHFFFAOYSA-N 443.481 2.408 0 40 IEAB aggregator CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 8751751 GPRPXZHSCPHJHN-CJAUYULYSA-N 449.507 2.459 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 8790370 FIRAKOBZCZTWHB-DKIXSGTJSA-N 447.557 2.155 0 40 IEAB biogenic C[C@@H]1Oc2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)cc2NC1=O 8861017 QAMYEKRRGKEZSX-LBPRGKRZSA-N 435.527 2.433 0 40 IEAB Cc1nc2sc3c(=O)n(CC(=O)N4CCOCC4)cnc3c2c2c1COC(C)(C)C2 8992529 IITHUUQUXJVIED-UHFFFAOYSA-N 428.514 2.025 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 9313512 WTBDXBAKDBMSHW-KRWDZBQOSA-N 444.484 2.254 0 40 IEAB CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nnc(C)s1 9328576 AQGORNSUHUGMJC-UHFFFAOYSA-N 449.537 2.300 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(NC(=O)C2CC2)s1 10402161 DPPDTYMBPVLPAW-UHFFFAOYSA-N 449.554 2.048 0 40 IEAB CCOc1ccc(CNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 10448956 DVRAGKCPKDQZKS-HNNXBMFYSA-N 434.514 2.327 0 40 IEAB COC(=O)c1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)n2C 11726370 WKOYZWXUYHMUGR-FMQUCBEESA-N 433.511 2.018 0 40 IEAB CCCc1nc(SCC(=O)Nc2ccc(C)cc2C)c2c(=O)n(C)c(=O)n(C)c2n1 11758081 WROFJIOQEQMFHB-UHFFFAOYSA-N 427.530 2.327 0 40 IEAB COc1ccc(OCCNC(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)cc1 12003339 MFHRDWWVLONGRJ-UHFFFAOYSA-N 438.889 2.224 0 40 IEAB CCN1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(N4CCOCC4)nc3)n2)CC1 12154992 YEWCLWLYAJCRPM-UHFFFAOYSA-N 435.532 2.481 0 40 IEAB Cc1cc(C)cc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 12445743 NOVQVJAVHMOVHY-UHFFFAOYSA-N 436.505 2.272 0 40 IEAB O=C(c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)N1CCN(c2ncccn2)CC1 13135505 TZTYMBUUJWGYTN-UHFFFAOYSA-N 441.488 2.379 0 40 IEAB CCCC[C@H](CC)C(=O)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164440 WSKPDYWWGDGOSO-PZJWPPBQSA-N 428.577 2.269 0 40 IEAB O=C(c1cn2ccccc2n1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 15713614 IBHSGEBWMABODX-UHFFFAOYSA-N 438.431 2.500 0 40 IEAB COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 16187981 BUNJRPZZIJNKDJ-UHFFFAOYSA-N 427.320 2.395 0 40 IEAB O=C(C1CCCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)c3cc[nH]n3)[nH]c(=O)c2C1 19292548 SFBFZPNEQABDHR-LJQANCHMSA-N 438.532 2.325 0 40 IEAB COCCC(=O)N(C)Cc1nc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc(N(C)C)n1 19701435 IVMOVXSTQNVCLG-OAHLLOKOSA-N 429.496 2.197 0 40 IEAB O=C(CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1)N1CCS(=O)(=O)CC1 19748264 HVYIHLJOKJCMEU-UHFFFAOYSA-N 432.586 2.384 0 40 IEAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)N1CCC(C(N)=O)CC1 22668676 PSQHYHQDIZJHGP-VOTSOKGWSA-N 448.882 2.254 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2ccn(-c3ccc(OCC)cc3)c(=O)c2=O)cc1 22724393 IBRKUEHOLCOHLV-UHFFFAOYSA-N 437.452 2.213 0 40 IEAB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 22917826 QKDFDIKEWDYQJO-UHFFFAOYSA-N 442.585 2.227 0 40 IEAB O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCc1cn2ccccc2n1 32700819 KWJHITRNDLWXFN-UHFFFAOYSA-N 427.258 2.399 0 40 IEAB CCC(C)(C)NC(=O)CN(C(=O)C(=O)Nc1ccc2c(c1)OCCO2)c1cccnc1 35311470 XCCYRKZBRIYJGK-UHFFFAOYSA-N 426.473 2.129 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2cccnc2-n2cncn2)c1 40108960 SUFSRXKWSOHFSS-UHFFFAOYSA-N 448.508 2.417 0 40 IEAB CCOc1ccccc1NC(=O)N1CCN(CCNC(=O)c2ccc3c(c2)OCO3)CC1 44227223 WGSQWHYQNXEVEV-UHFFFAOYSA-N 440.500 2.394 0 40 IEAB CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)c1C(F)(F)F 58158572 YIXYFFOCGPHKHW-HNNXBMFYSA-N 438.406 2.466 0 40 IEAB CC(C)OCCS(=O)(=O)N1CCN(C(=O)CCc2ccc(OC(F)F)cc2)CC1 72309579 HIELXGWDKYNKLL-UHFFFAOYSA-N 434.505 2.120 0 40 IEAB Cc1ccccc1CCNC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326347 HPANBDQIBCPLPP-BXKMTCNYSA-N 435.528 2.002 0 40 IEAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 72342474 HQRWKTTVHHQXEG-FSNCLGKMSA-N 448.589 2.183 0 40 IEAB O=S1(=O)CC[C@@H](N(Cc2cccnc2)S(=O)(=O)c2ccccc2Br)C1 95381693 YHHQMPQEBYBOCB-CQSZACIVSA-N 445.360 2.222 0 40 IEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)CCCNS(=O)(=O)c1cccs1 100142969 NJGQTNJYOOKCIP-HOCLYGCPSA-N 445.570 2.446 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 220711487 IXKUARDHRWZEMV-INIZCTEOSA-N 445.969 2.494 0 40 IEAB CC(C)CSc1nnc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)s1 224078456 VLCDDKCTGQTDTG-UHFFFAOYSA-N 426.545 2.460 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)c2ccc(CN3CCCC3)cc2)cc1 224226801 APJBYZULMOATGQ-UHFFFAOYSA-N 431.558 2.342 0 40 IEAB COC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)CC1 225169601 ZLHQOBISNJGUNR-UHFFFAOYSA-N 444.922 2.018 0 40 IEAB CN(CC1(O)CCN(c2cccc3nccn23)CC1)C(=O)c1ccc(OCCCN)cc1 257266497 MDGNIGICHSAAJQ-UHFFFAOYSA-N 437.544 2.165 0 40 IEAB COc1ccc(S(=O)(=O)NCCN2c3ccccc3N(C3CC3)S2(=O)=O)cc1C 585147655 OAYFAHZSESQDGL-UHFFFAOYSA-N 437.543 2.016 0 40 IEAB COc1cccc(OCC(=O)N2CCO[C@](COc3ccc(Cl)cc3)(CC(N)=O)C2)c1 585287137 UILQAYNRKLQCAO-JOCHJYFZSA-N 448.903 2.279 0 40 IEAB CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 673873361 NQSJURZWKWYQKE-UGKGYDQZSA-N 441.532 2.374 0 40 IEAB CCOc1ccccc1NC(=O)CS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1522320 JVIYOFAMPRLMRB-UHFFFAOYSA-N 430.482 2.125 0 40 IEAB COc1cc2c(c3oc(=O)c(CC(=O)N4CCC(C(N)=O)CC4)c(C)c13)CCC(C)(C)O2 8765347 BWBMIZLLLQCEIW-UHFFFAOYSA-N 442.512 2.480 0 40 IEAB biogenic COc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4cccc(C)c4)cnc32)cc1 9016174 JSQSLXLYYZIZCH-UHFFFAOYSA-N 431.496 2.317 0 40 IEAB Cc1ccc(N2C(=O)N(CC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)C(=O)[C@@H]2C)cc1 9613817 MDIYSKWELPEIKA-LPHOPBHVSA-N 447.557 2.110 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cc(C)ccc3C)C2=O)cc1OC 9675629 UAQWPEKOMDLDOH-UXHICEINSA-N 437.456 2.253 0 40 IEAB COc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3Cl)c2N)c(OC)c1 9677911 SKWXBGOWEKFSOE-UHFFFAOYSA-N 430.852 2.422 0 40 IEAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 11906683 WTSBBCOITILDDC-UHFFFAOYSA-N 440.499 2.155 0 40 IEAB CSc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12770877 DDTHLONTMIELGD-IBGZPJMESA-N 427.526 2.331 0 40 IEAB COc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl 12772634 SMESEJYPPXQOCE-UHFFFAOYSA-N 437.949 2.466 0 40 IEAB CC1(C)Oc2ccc(C(=O)Nc3ccccc3F)cc2N(CC(=O)N2CCOCC2)C1=O 12875502 VSDHYGRWAIMPPC-UHFFFAOYSA-N 441.459 2.441 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 14248313 AJQDTQTYHXFDBE-LJQANCHMSA-N 434.562 2.111 0 40 IEAB COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 16187890 WHXXUVBYSJUCSE-UHFFFAOYSA-N 426.922 2.337 0 40 IEAB CCn1c(=O)n(CC(=O)N2CCC(C)CC2)c2c(C(N)=O)nc(-c3ccc(C)s3)nc21 19524213 VFBJSDCXEIRGKO-UHFFFAOYSA-N 442.545 2.007 0 40 IEAB CCCC(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 19699416 QDYIIEXHBYXLAM-UHFFFAOYSA-N 426.517 2.004 0 40 IEAB CNc1nc(C)c(C(=O)N2CCCC[C@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)s1 19765435 BLECNTQFDWDRGA-INIZCTEOSA-N 444.561 2.431 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2cn(CCF)c3c(F)c(OC)c(F)cc3c2=O)CC1 20744862 YYSROQSSBICNKR-UHFFFAOYSA-N 441.406 2.172 0 40 IEAB COCCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CCN(c3ccccn3)CC2)c1=O 22697848 BUCGNBIUQDIBBV-HSZRJFAPSA-N 435.528 2.210 0 40 IEAB C[C@@H](NC(=O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2)cc1 22790864 JKMVYPYLZPAZTH-AUSIDOKSSA-N 441.597 2.336 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CC(=O)N4CCc5ccccc5[C@@H]4C3)ccc21 36108756 KTMCAYURPHOMKN-QFIPXVFZSA-N 439.537 2.116 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)c2sccc2NC(=O)c2ccncc2)cc1 36398198 OVDFINGGXYZCJV-UHFFFAOYSA-N 430.511 2.015 0 40 IEAB CN(C)C[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)[C@H](O)c1ccccc1 40121721 DOOSHEHHYYYXPI-IFMALSPDSA-N 440.544 2.192 0 40 IEAB Cc1cccc(N2CCN(CC[C@@H](C)NC(=O)C3CCN(C(=O)N(C)C)CC3)CC2)c1 40134125 DYRLYWLYAJOKEW-HXUWFJFHSA-N 429.609 2.405 0 40 IEAB CC(C)[C@@H]1C(=O)N(CC(=O)NCC(=O)OCc2ccccc2)C(=O)N1Cc1ccccc1 68606533 ZGCDTJRFNMTOKY-JOCHJYFZSA-N 437.496 2.335 0 40 IEAB biogenic O=C(c1ccccn1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 72399077 ATKUVMJLCXSQNL-NRFANRHFSA-N 430.512 2.486 0 40 IEAB CN(CC(=O)N1CCCC[C@@H]1c1cccn1C)S(=O)(=O)c1ccc2c(c1)OCCO2 78971488 BHEIAWOKHOLWAQ-GOSISDBHSA-N 433.530 2.171 0 40 IEAB COCCn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc(S(N)(=O)=O)ccc21 100873040 GDQHCSBTYLISSE-UZYVYHOESA-N 448.551 2.347 0 40 IEAB COc1ccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cc1 223946135 VAIYTSKULLJNGI-UHFFFAOYSA-N 432.542 2.326 0 40 IEAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)s1 224010300 VDYMOFFVJHFFRU-UHFFFAOYSA-N 442.544 2.039 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1 225091273 UZIBXTRKIQMXMM-UHFFFAOYSA-N 427.526 2.067 0 40 IEAB COc1ccccc1OCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 225142927 IQYGARNICKBKCU-UHFFFAOYSA-N 448.526 2.465 0 40 IEAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC)S(C)(=O)=O 225421597 JQGLFFKOSBQZIE-INIZCTEOSA-N 449.548 2.317 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 247742192 OYJGBRJIJGGDCV-XQXALNAESA-N 432.524 2.456 0 40 IEAB COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CCOC4)nc(O)c3C2)cc1 247891991 MXFAMQBQRSOSMT-UWJYYQICSA-N 438.528 2.449 0 40 IEAB CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@@H](Cc2cccc3ncccc23)C1 257234723 GUVZOFHXVQGHHK-FQEVSTJZSA-N 432.572 2.468 0 40 IEAB NC(=O)c1cccc(-c2ccc([C@H]3CN(C(=O)CN4CCCCCC4=O)CCO3)nc2)c1 257263724 LRDTWXCBIGTFLB-OAQYLSRUSA-N 436.512 2.150 0 40 IEAB Cc1cc(-c2cncnc2)cc([C@@H]2CN(C(=O)CCn3c(C)cc(C)nc3=O)CCO2)n1 257341928 ZMLXAZCFORXSPA-NRFANRHFSA-N 434.500 2.011 0 40 IEAB COc1ccc(C(=O)N2CCC3(CC2)N(Cc2ccccc2)C(=O)[C@H]2CN(C)CCN23)cc1 1772595419 UTKGKVYRQNFGBW-HSZRJFAPSA-N 448.567 2.286 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1C[C@@H]2CN(c3nc(C)nc4c3CCC4)C[C@H]2C1 1888913494 JWIWPRIOMQYFLV-GJZGRUSLSA-N 432.521 2.178 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@H]1c1cccc(OC)c1 8964880 OIKLFGVPHUHKLX-LJQANCHMSA-N 433.464 2.476 0 40 IEAB biogenic Cn1cnc2c1c(=O)n(CCCSc1nnc(C3CC3)n1-c1ccccc1)c(=O)n2C 8966393 RVRSURSFIAHFGW-UHFFFAOYSA-N 437.529 2.074 0 40 IEAB O=C(O)/C=C/C(=O)N(C[C@@H]1CCCO1)[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O 9065187 CSEXFXUVFPQNRI-MEQIJJHFSA-N 441.267 2.274 0 40 IEAB Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)s1 9290077 VQVXTVWQWZFDLZ-SECBINFHSA-N 435.510 2.163 0 40 IEAB CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9513067 ICTZDXRBIIRFRW-UHFFFAOYSA-N 437.374 2.399 0 40 IEAB Cc1ccnc(Nc2ccc(N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)nn2)c1 11697014 GHXMLZXCMFSMOP-UHFFFAOYSA-N 429.506 2.039 0 40 IEAB Cc1ccc(-c2cc(NS(=O)(=O)c3c(C)n[nH]c3C)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 11795944 SAFDZMLHIHHXHB-MRXNPFEDSA-N 449.558 2.359 0 40 IEAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(N(C)C)cc1 12210557 NZUWGYOOVDSZGU-UHFFFAOYSA-N 439.559 2.492 0 40 IEAB COc1ccc(CCNC(=O)Cn2cnc3c(cnn3-c3ccccc3C)c2=O)cc1OC 12237648 QIAXAFZVVWXVDH-UHFFFAOYSA-N 447.495 2.267 0 40 IEAB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)NCCc1ccc2c(c1)OCCO2 12256424 RPECNEHUNPYCPR-IBGZPJMESA-N 442.493 2.163 0 40 IEAB Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1S(=O)(=O)N1CCOCC1 12595230 SQIPPMMRZDVHEB-UHFFFAOYSA-N 443.525 2.160 0 40 IEAB O=C(NCCOc1ccccc1F)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12915794 WUFGHDHYFLEYKP-UHFFFAOYSA-N 443.447 2.199 0 40 IEAB CN(C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 13721838 BVFJEKBVLZDJHT-UHFFFAOYSA-N 426.561 2.392 0 40 IEAB COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 13735038 ATVFWPMOFVXUOX-LLVKDONJSA-N 444.918 2.462 0 40 IEAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14094087 BXQWHULSOBYBCA-UHFFFAOYSA-N 446.504 2.397 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCC3)CC1)C2=O 19699422 PGTXTSDAAUTQGM-UHFFFAOYSA-N 438.528 2.004 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)CC1 20063052 KQBARZRXVMJUKN-UHFFFAOYSA-N 443.525 2.471 0 40 IEAB O=C1CC2(CCCCC2)C(=O)N1CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 23674058 BXYZJELSFVVWSQ-CXUHLZMHSA-N 431.558 2.272 0 40 IEAB Cc1cccc(CN2CCN(C(=O)CN(C)C(=O)Cc3cn4ccsc4n3)CC2)c1 24032620 JXHFZTATVAQVCU-UHFFFAOYSA-N 425.558 2.050 0 40 IEAB CCCc1cc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)[nH]n1 32905958 UWCMPAXTBUWZGA-UHFFFAOYSA-N 436.534 2.497 0 40 IEAB COc1ccc(-n2ncc3c(=O)n(Cc4nc(-c5ccc6c(c5)OCO6)no4)cnc32)cc1 33293082 JROFPENXANPCOX-UHFFFAOYSA-N 444.407 2.418 0 40 IEAB CCOC(=O)N1CCN(c2nc(NCCO)c3cnn(-c4ccc(Cl)cc4)c3n2)CC1 36656936 UFJKXVFPTQJOQT-UHFFFAOYSA-N 445.911 2.152 0 40 IEAB CN1CCN(CCNC(=O)c2nc(N3CCCC3)ncc2Cl)[C@H](c2ccccc2)C1 40154156 OMHIJDOIOJFVEZ-IBGZPJMESA-N 428.968 2.449 0 40 IEAB CN(C(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc(C(N)=O)cc1 40157588 WYXONBOOEFERID-UHFFFAOYSA-N 428.539 2.468 0 40 IEAB COc1cccc(C[C@@H](C(=O)NCCC(=O)N2CCCc3ccccc32)n2nnnc2C)c1 48302295 IOGPGFJGDBYCTO-QFIPXVFZSA-N 448.527 2.260 0 40 IEAB CNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)Cc2c[nH]nc2O)CCO1 72389148 MTCJTAIZGLROON-RUZDIDTESA-N 448.523 2.220 0 40 IEAB O=S(=O)(NCC1(c2ccncc2)CCCC1)c1ccc(S(=O)(=O)NC2CC2)cc1 95465315 OKDHYPVFFCYQDP-UHFFFAOYSA-N 435.571 2.313 0 40 IEAB NC(=O)CC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccsc1 96012415 ANYMFKJTGSKPMX-ZDUSSCGKSA-N 435.449 2.318 0 40 IEAB Cc1ccc(OCC(=O)Nc2n[nH]c(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1C 97010938 HXVYJQHPPQLKEY-UHFFFAOYSA-N 430.509 2.496 0 40 IEAB COc1cccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1 220165641 SMLZFMWQXHQDMF-INIZCTEOSA-N 435.521 2.338 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222937297 HFBHDMWQEFIHNY-GOSISDBHSA-N 435.521 2.145 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1cc(C)ccc1C)c1ccc2c(c1)OCO2 224011906 QSKDUEJKQXAQMA-UHFFFAOYSA-N 434.514 2.383 0 40 IEAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 260457998 IGGJIKNLGHVDFF-SPYBWZPUSA-N 443.997 2.351 0 40 IEAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCc3noc(C)n3)ccc21 643584229 JCNBLQFLKBODFW-UHFFFAOYSA-N 429.521 2.341 0 40 IEAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4cncc(Br)c4)nn23)C1 1501040575 ZDIIZWULCYLYBX-VIFPVBQESA-N 443.352 2.149 0 40 IEAB Cc1c(C(=O)Nc2ccccc2)[n+]([O-])cn1-c1ccc2c(c1)CCCN2S(C)(=O)=O 1547200967 PYAFOWKVDDEXQW-UHFFFAOYSA-N 426.498 2.384 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCn3cnc(C(F)(F)F)c3C2)c1C 1589543523 ZFQGWLUFFZMRCH-UHFFFAOYSA-N 444.479 2.456 0 40 IEAB O=C(COC(=O)c1ccc(I)cc1)NC(=O)NCc1ccccc1 3373036 NGSRVWDLGSHVGI-UHFFFAOYSA-N 438.221 2.474 0 40 IEAB CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)c2O1 3407075 UBYMVWWQWWCVOM-UHFFFAOYSA-N 436.555 2.374 0 40 IEAB COc1ccc(COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1F 3511307 JCHVLTARBHADAU-UHFFFAOYSA-N 427.425 2.351 0 40 IEAB COc1ccc(NC(=O)CCOc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 8899594 HHERHPRNQZYVHG-UHFFFAOYSA-N 434.514 2.432 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 9049689 FNCLGXJXVFKITB-CVEARBPZSA-N 426.510 2.028 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 9491301 NTSSXLQCENGRNV-MRXNPFEDSA-N 431.514 2.441 0 40 IEAB CC(=O)N1CCc2c(sc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)c2C(N)=O)C1 9621645 LWPVRBBXUKFXHU-UHFFFAOYSA-N 449.554 2.186 0 40 IEAB Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1-c1ccccc1F 10271903 PKECETSGCMQTDM-UHFFFAOYSA-N 438.507 2.380 0 40 IEAB Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)N1CCCCCC1 11898746 OOGIYJNZHMGUOK-IBGZPJMESA-N 426.517 2.468 0 40 IEAB O=C(COc1ccc(F)cc1)NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21 12071749 WOCSGHMPGADJQJ-UHFFFAOYSA-N 439.422 2.115 0 40 IEAB Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)Oc3ccccc3)CC2)c1 12445065 BSWQIQGWCPXRPT-LJQANCHMSA-N 431.558 2.031 0 40 IEAB C[C@H]1CN(C(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C[C@H](C)O1 12632065 NNWKKJSAXDUTQD-HOTGVXAUSA-N 438.480 2.395 0 40 IEAB O=C(c1cc(Br)ccc1O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12791536 KUOWUCJVTPSIPR-UHFFFAOYSA-N 443.294 2.441 0 40 IEAB C[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 13681989 AZLUHHYJNFFFCJ-CYBMUJFWSA-N 442.903 2.229 0 40 IEAB NC(=O)[C@@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 14093340 XPACVVMRXVSZNH-HXUWFJFHSA-N 431.475 2.303 0 40 IEAB O=C(Cc1ccccc1F)N1CC[C@H](c2nc(=O)c3c([nH]2)CN(Cc2cccnc2)CC3)C1 19348052 NROGSLYGKHCTMX-IBGZPJMESA-N 447.514 2.421 0 40 IEAB CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19446837 GSFAYDRYMNISSC-PMACEKPBSA-N 442.564 2.486 0 40 IEAB COc1ccc(CC(=O)N2CCC(c3nc(O)c4c(n3)CN(C)CC4)CC2)cc1OC 19590739 ZQTTYQWRARNXEJ-UHFFFAOYSA-N 426.517 2.136 0 40 IEAB CC1CCN(CCC(=O)N2CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)CC1 19693107 UKYZIHIEFIANMR-FQEVSTJZSA-N 437.544 2.264 0 40 IEAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2cccnc2N)CCO1 19697846 IJTPKAUBSFOPDB-INIZCTEOSA-N 440.525 2.468 0 40 IEAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 23909261 JGQKLTOMHZFKPG-HSZRJFAPSA-N 448.435 2.305 0 40 IEAB COc1cccc(NC(=O)C[C@@H]2C(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)c1 35324611 GBSFVKBZAXDDJJ-SFHVURJKSA-N 445.479 2.406 0 40 IEAB NC(=O)NCCC[C@@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)O 36360605 ZBHIZRSGHJAJIS-LJQANCHMSA-N 438.484 2.238 0 40 IEAB Cc1csc(NC(=O)C2CCN([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)n1 40149653 CFGLAEWNQIUNIF-GFCCVEGCSA-N 428.518 2.299 0 40 IEAB COc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)c(C(N)=O)cc1OC 58014575 QMWRAOVVIXVAGO-UHFFFAOYSA-N 435.502 2.132 0 40 IEAB O=C(Cn1c(-c2cccnc2)noc1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 58167131 MRBRQVOSKMYIBU-UHFFFAOYSA-N 431.334 2.137 0 40 IEAB Cn1ccnc1CN1C(=O)CO[C@H](c2ccc(NC(=O)c3cccs3)cc2)[C@H]1CO 72321502 JJMFZZUWSRZWOR-OXQOHEQNSA-N 426.498 2.195 0 40 IEAB biogenic,in-vitro COc1cccc(N2CCN(C(=O)COc3coc(CN4CCCCC4)cc3=O)CC2)c1 79482244 FTLMLPIDMJGVFB-UHFFFAOYSA-N 441.528 2.362 0 40 IEAB CCN1C(=O)C2(CCN(S(C)(=O)=O)CC2)CC12CCN(C(=O)Nc1ccccc1)CC2 96143710 MGVHPGDTOSASLI-UHFFFAOYSA-N 448.589 2.347 0 40 IEAB CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4cccs4)cn23)CC1 96156063 LWQAWXTWIRLZAX-UHFFFAOYSA-N 432.571 2.055 0 40 IEAB COC(=O)[C@H](Cc1ccc(Cl)cc1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 97141152 YBMLXNWCGCYCTH-IRLDBZIGSA-N 432.948 2.482 0 40 IEAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CN(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CCCCC1 100568435 QOIRFBJZTQNRBZ-HNHKBNTMSA-N 449.551 2.150 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)cc1 101167448 QALZFLJOSNPDHL-OALUTQOASA-N 435.440 2.104 0 40 IEAB COC(=O)c1cc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc(C(=O)OC)c1 224381311 GARMINMZQJPFJC-UHFFFAOYSA-N 446.481 2.442 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)ccc21 225842712 YNXQEAFAICZBDJ-UHFFFAOYSA-N 443.554 2.316 0 40 IEAB C[C@@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408666811 SPRZWOHHISOCOD-UKTVDESPSA-N 447.285 2.126 0 40 IEAB Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(=O)n(-c2ccccc2)n1C 8882426 VHNRNUYMHGSPJQ-MRXNPFEDSA-N 448.479 2.247 0 40 IEAB Cn1c(=O)c2c(SCC(=O)N3CCCCCC3)nc(-c3ccccc3)nc2n(C)c1=O 9382366 MLQOFFXFHVOBOU-UHFFFAOYSA-N 439.541 2.189 0 40 IEAB COc1ccc(C(=O)[C@@H](C)OC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 9670646 DNRFRDUAHSETHF-CQSZACIVSA-N 430.482 2.404 0 40 IEAB CCc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@H]32)cc1 9675654 GYAWGVNLMMLQEQ-UXHICEINSA-N 437.456 2.198 0 40 IEAB C[C@H](NC(=O)[C@@H](C)OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 9787653 ASSJGOHZYACNSZ-JKSUJKDBSA-N 443.525 2.314 0 40 IEAB COc1cccc(-n2nnc3c(N4CCN(C(=O)Cc5cccs5)CC4)ncnc32)c1 10256443 VXIZPRJFJDRXLT-UHFFFAOYSA-N 435.513 2.172 0 40 IEAB NS(=O)(=O)c1ccc(CCC(=O)N2Cc3ccccc3OC3(CCOCC3)C2)cc1 12121896 ZURUNLQKEWPJBR-UHFFFAOYSA-N 430.526 2.237 0 40 IEAB O=C(NC1CCCCC1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCC(Cc3ccccc3)CC2)[C@H]1O 12483499 OWYGNVVCWLGGFK-ZSXJVMONSA-N 443.588 2.426 0 40 IEAB biogenic,in-vitro Cc1cc(=O)c(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)nn1-c1ccccc1F 12805998 ISUYXRHZZDLUKU-UHFFFAOYSA-N 430.461 2.183 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccccc3C)c2)CC1 13134729 KUXOGJZDKMEICS-UHFFFAOYSA-N 429.542 2.120 0 40 IEAB CC[C@@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 14164498 ZWJBOHONSYYRQK-PKTZIBPZSA-N 448.567 2.246 0 40 IEAB CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)N1CCCCC1 14182133 YURVOTAPOMKQEN-UHFFFAOYSA-N 444.548 2.245 0 40 IEAB C[C@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 14245639 OJCCWYQKZXRREN-KXBFYZLASA-N 429.494 2.108 0 40 IEAB CCN(CC)C(=O)CN1CCC[C@H](c2nc(N(C)C)ncc2-c2ccc(C(N)=O)cc2)C1 19694670 YRTULNVDJDSGKZ-IBGZPJMESA-N 438.576 2.356 0 40 IEAB Cc1ccc(S(=O)(=O)N2CC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cc1C 19757665 AVYHRDHGELFLRS-SFHVURJKSA-N 444.557 2.052 0 40 IEAB COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O 20467182 YVPJFXRJOGVLRV-IINMDLNZSA-N 431.577 2.402 0 40 IEAB biogenic,in-vitro CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC1 22915864 LFSBAKJEWUQLLR-YJBOKZPZSA-N 438.956 2.185 0 40 IEAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23864956 RVLHHLHOSLRZCY-ZDUSSCGKSA-N 441.912 2.387 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 24578003 GCLUFRPXYPULMP-CYBMUJFWSA-N 427.375 2.252 0 40 IEAB O=C(CC[C@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc2c(c1)OCCO2 25108637 FTMAVLGJRXLIIW-OAHLLOKOSA-N 439.424 2.026 0 40 IEAB Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)c1 27663101 UMVCRZCBRDBTAN-AWEZNQCLSA-N 448.566 2.480 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)c1 29083027 LKJLRGULLXLKEE-HXUWFJFHSA-N 449.548 2.292 0 40 IEAB CCOC(=O)C1=C(CN(C)C[C@@H]2COc3ccccc3O2)NC(=O)N[C@H]1c1ccco1 34872023 KZONDHWEJSZFMJ-VLIAUNLRSA-N 427.457 2.223 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](c2ccccc2)C1 35388214 YQHQRPANIRVMCA-NRFANRHFSA-N 449.598 2.149 0 40 IEAB C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)c1cc(Br)ccc1Br 40135534 XRVKYIOAJDEZSD-RKDXNWHRSA-N 440.157 2.486 0 40 IEAB O=C(c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12)N1CCN(c2ccccn2)CC1 65026747 WCFJVWPDCRSWGU-UHFFFAOYSA-N 428.452 2.482 0 40 IEAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)n12 65196688 PGYVDNOWUKQZLY-UHFFFAOYSA-N 446.486 2.354 0 40 IEAB O=C(C[C@@H]1C=CCC1)N1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccnc2)CC3)CC1 72398923 KCRNLUXOTLPQBS-QGZVFWFLSA-N 447.539 2.426 0 40 IEAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)N1CCC(=O)CC1 80332451 ABDKOINYMHDPHH-CYBMUJFWSA-N 427.332 2.405 0 40 IEAB CS(=O)(=O)N1CCN(Cn2nc3c(Cl)cc(C(F)(F)F)cn3c2=S)CC1 95946769 KMVRHQMIINXENU-UHFFFAOYSA-N 429.877 2.072 0 40 IEAB O=C(c1ccoc1)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 97097919 FXCIAIYJSQBXLD-SFHVURJKSA-N 441.875 2.394 0 40 IEAB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 107945672 WRMRIRRGXXVLEO-UHFFFAOYSA-N 425.470 2.174 0 40 IEAB CCCCNC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219663838 DUCNOFJVROHQHS-UHFFFAOYSA-N 429.498 2.390 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222934224 CKJFJCGEJLHIAR-FQEVSTJZSA-N 431.558 2.314 0 40 IEAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223041036 MCYZKTPINYSGKY-NRFANRHFSA-N 445.585 2.044 0 40 IEAB CCOc1ccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccccc3)n2)cc1 223621736 RGVRLDQKLBDOHY-UHFFFAOYSA-N 444.513 2.414 0 40 IEAB CCCSc1nnc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)s1 225512224 NYHRLGQWUHOFHI-UHFFFAOYSA-N 433.556 2.431 0 40 IEAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1Cc2cnc(N3CCOCC3)nc2C1 238825270 DPDWJICSOIMKBD-UHFFFAOYSA-N 428.436 2.178 0 40 IEAB O=C(CCn1cnc2ccccc2c1=O)NC1CCN(c2ncnc3c2CCCC3)CC1 238936952 VPMKCWHSHYSGDC-UHFFFAOYSA-N 432.528 2.241 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOCc3ccccc3)C2)cc1 260850872 SKWHVGOBHQPFOR-IBGZPJMESA-N 432.542 2.429 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 536083648 WMBWGNLJBNBPQD-CYBMUJFWSA-N 448.383 2.330 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4cnn(-c5ccccc5)c4C)C3)n2)n1 1565523823 XSIZRJWGWSDWIQ-UHFFFAOYSA-N 443.511 2.312 0 40 IEAB Cc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363843 JHXNCLCAXVGJMN-INIZCTEOSA-N 426.502 2.010 0 40 IEAB O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)O[C@H]1CCOC1=O 3293464 FKOWLDIHPBEXFZ-MOPGFXCFSA-N 433.457 2.363 0 40 IEAB CCCCCCn1nc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c2ccccc2c1=O 3436323 FHYOWGUHGSMCGC-UHFFFAOYSA-N 435.484 2.427 0 40 IEAB CCOCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OCC)cc2)n(C)c1=O 8653984 UJVHFVMQJAASOG-HNNXBMFYSA-N 427.505 2.120 0 40 IEAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(F)cc1F 9761698 WIIIAVVWGVUVOF-UHFFFAOYSA-N 436.392 2.455 0 40 IEAB Cc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)cnc21 9829664 ILZNPAKDBCNXBE-UHFFFAOYSA-N 428.496 2.239 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(CCc2ccccc2)C3=O)cc1 11694166 JMDFWZIBSCDYEY-UHFFFAOYSA-N 443.525 2.013 0 40 IEAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1 12810737 AMDXWPSRLMGLAD-HNNXBMFYSA-N 429.473 2.404 0 40 IEAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(Br)cc1 12900019 LVUYLLXIZHSONM-HIFRSBDPSA-N 443.319 2.150 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1C 13019162 JTVLNSIPBUSSHZ-UHFFFAOYSA-N 443.569 2.475 0 40 IEAB O=C(COC(=O)CSCc1ccc(Cl)c(Cl)c1)N[C@H]1CCS(=O)(=O)C1 13164224 ZKCWONCBZRNUDZ-NSHDSACASA-N 426.343 2.073 0 40 IEAB COc1cccc(N2C(=O)C[C@@H](N3CCC(NC(=O)c4ccc(F)cc4)CC3)C2=O)c1 15024134 MMTKGAALSFWMMD-HXUWFJFHSA-N 425.460 2.361 0 40 IEAB CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 16682744 LQFUQEJOBUHUCS-UHFFFAOYSA-N 438.546 2.088 0 40 IEAB CNC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 18286313 CBVVZJDSCWMPLE-UHFFFAOYSA-N 438.267 2.265 0 40 IEAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2nc[nH]n2)CCO1 19449734 UINUHMJYGLYWGE-DEOSSOPVSA-N 433.512 2.450 0 40 IEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2)n1 21351575 CQDZOIGKEZGJDS-HNNXBMFYSA-N 443.529 2.315 0 40 IEAB CCN(C(=O)COC(=O)CCC1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 21944834 FGNKBKHKOIVROC-UHFFFAOYSA-N 442.516 2.034 0 40 IEAB C[C@@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 23053540 ITKRZVLQVRUHIF-QGZVFWFLSA-N 431.533 2.500 0 40 IEAB CCN(C(=O)COC(=O)CC1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 24724019 DPUGUNZHCFGKOG-UHFFFAOYSA-N 442.516 2.034 0 40 IEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 32753077 YWWOSYYNIJHAKT-UXHICEINSA-N 441.528 2.412 0 40 IEAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnn2c(C)cc(C)nc12 32796536 BGSFVJATYLXIGN-UHFFFAOYSA-N 436.472 2.262 0 40 IEAB Cc1ccc([C@@H](CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)N2CCOCC2)o1 32842206 IDAAXQZVWHGCJM-FOIQADDNSA-N 447.557 2.102 0 40 IEAB O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 32933229 BOLZFCYVJUVLGZ-QGZVFWFLSA-N 428.470 2.446 0 40 IEAB O=C1C[C@@H](C(=O)Nc2ccc(Br)cc2)c2c(nc(N3CCCC3)[nH]c2=O)N1 38828297 AMCBCVMILPSRGE-GFCCVEGCSA-N 432.278 2.197 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCC(C(=O)Nc3cccc(C)n3)CC2)C1 40154620 HBWCVDOFCQNNBB-HKUYNNGSSA-N 430.549 2.231 0 40 IEAB O=C(Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)Nc1ccc(F)c(Cl)c1 49409039 ZLYBXMLAYASMHE-UHFFFAOYSA-N 427.885 2.454 0 40 IEAB COC(=O)CN(Cc1cc(OC)cc(OC)c1)S(=O)(=O)c1cc(OC)ccc1OC 57994356 JLMQKLFPURSFFY-UHFFFAOYSA-N 439.486 2.085 0 40 IEAB Cc1nc(NC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)sc1C 72326403 DFBOLYHQRHKRSF-YUNKPMOVSA-N 428.518 2.046 0 40 IEAB O=C(c1cccnc1)N1CCc2nc(C3CCN(C(=O)[C@H]4CC=CCC4)CC3)[nH]c(=O)c2C1 72398920 OZJJOWFCJXOAAX-SFHVURJKSA-N 447.539 2.426 0 40 IEAB CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 79493587 ZINJHPGGNINNOG-TZWRJOPASA-N 434.602 2.480 0 40 IEAB COCCN(C[C@@H](O)COc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(C)cc1 95117087 QJWLOZNPIASHLS-LJQANCHMSA-N 436.530 2.030 0 40 IEAB Cn1cc(N2CCN(Cc3ccccc3)C3(CCN(Cc4nccn4C)CC3)C2=O)cn1 96230346 IIISXZRUBLGERY-UHFFFAOYSA-N 433.560 2.037 0 40 IEAB COc1cccc(C(=O)NCCOC(=O)c2snnc2-c2cnc(SC)nc2)c1 223857765 DEPNJZOGVLEKKQ-UHFFFAOYSA-N 431.499 2.312 0 40 IEAB CC(=O)N1CCC[C@](C[C@H]2CC(c3ccccc3F)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 247980327 JHVXHSRPSOIUHT-JTUHZDRVSA-N 432.540 2.404 0 40 IEAB NC(=O)CCn1cc(CN2CCC[C@]3(CC2)Cc2c(O)nc(O)nc2O3)c2ccccc21 257318564 VOMKETXMVPYDRW-QHCPKHFHSA-N 437.500 2.078 0 40 IEAB Cc1nn(CCNS(=O)(=O)c2ccc(OCC(N)=O)cc2)c(C)c1-c1cccs1 575612852 NJOLNILPBPMDOK-UHFFFAOYSA-N 434.543 2.071 0 40 IEAB CN(c1ncc(Br)cn1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775971944 ZNMVUMNBKUWUNO-UHFFFAOYSA-N 438.293 2.064 0 40 IEAB CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C1 1888866398 VOCOXKULHBFDID-BETUJISGSA-N 440.447 2.107 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)OCc2cc(=O)oc3cc(OC)ccc23)c1 2645607 FTBJDYTZFBVHEK-UHFFFAOYSA-N 427.409 2.292 0 40 IEAB CCCCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@H](CC)N(C)C 4144622 QRDZBHKGPVQDNL-HZPDHXFCSA-N 445.655 2.219 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1 6408172 GAPGGCNIRDJHAE-UHFFFAOYSA-N 444.538 2.333 0 40 IEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)cc1C 9126617 DLYGQBRGCOVGHG-SFHVURJKSA-N 441.509 2.399 0 40 IEAB COC(=O)C1CCN(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)CC1 9507144 SPQXBRKZUQSVAU-UHFFFAOYSA-N 441.513 2.485 0 40 IEAB Nc1nc(COC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)nc(Nc2ccccc2)n1 9669404 FMOULXBESOZCLP-QGZVFWFLSA-N 432.484 2.332 0 40 IEAB Cc1noc(C)c1CC(=O)N(Cc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9817181 LLWOUTUFSGVKHJ-UHFFFAOYSA-N 449.467 2.141 0 40 IEAB COCCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 11696094 INBXZCCPXFXLLV-INIZCTEOSA-N 428.514 2.143 0 40 IEAB Cc1ncc(-c2ccncc2)c(CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)n1 12088877 MFCIOHOPBOXZTD-ZDUSSCGKSA-N 439.497 2.387 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 12816141 AFIHESIICVPTBP-UHFFFAOYSA-N 446.497 2.105 0 40 IEAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc(-n2cnnn2)c1 13029915 ICJJMZXIFNIGGP-UHFFFAOYSA-N 448.508 2.492 0 40 IEAB CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1 13085072 UJQSMTDHIJEMTN-NRFANRHFSA-N 429.467 2.433 0 40 IEAB Cc1cccc(-n2nnnc2SCC(=O)NCC2(N3CCOCC3)CCCCC2)c1 14639831 RJQGFAHCDUITDK-UHFFFAOYSA-N 430.578 2.214 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 14663415 FRHNKNMQOWEYDA-UHFFFAOYSA-N 432.498 2.363 0 40 IEAB COc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 19618847 UACYUPVRFDUAMI-UHFFFAOYSA-N 448.541 2.176 0 40 IEAB CN(CC(=O)N1Cc2cn(C)nc2[C@@H](C(=O)Nc2nccs2)C1)Cc1ccc(F)cc1 19701391 RTQZMHOZDXPSEQ-KRWDZBQOSA-N 442.520 2.212 0 40 IEAB CCOC(=O)c1ccc(-n2nnnc2[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 20111409 FUYJFLPFIHTCKS-GOSISDBHSA-N 437.456 2.154 0 40 IEAB biogenic COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1S(=O)(=O)N1CCOCC1 22526208 KAVRBBNVLAANIT-MRXNPFEDSA-N 434.514 2.431 0 40 IEAB Cc1cc(/C=C/C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1Cc1ccco1 23995288 LYUUGISYQMTSQF-RRFGBZISSA-N 431.558 2.091 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 25953390 LIPURSOTANQGKB-UHFFFAOYSA-N 443.978 2.215 0 40 IEAB CCc1ccc(CN(C)C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 27534506 NYDCRXJYHYXFSW-UHFFFAOYSA-N 446.569 2.480 0 40 IEAB CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)c1 40149087 JSGMHBCDOWYZJA-UHFFFAOYSA-N 449.548 2.481 0 40 IEAB O=C(CSc1nnnn1-c1ccccc1)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386436 CYSRHDQQOPFOKV-GOSISDBHSA-N 448.508 2.323 0 40 IEAB COc1ccccc1N1C[C@@H](C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CC1=O 48308718 PMZRTHOESVVSSC-INIZCTEOSA-N 443.466 2.161 0 40 IEAB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccco3)c2=O)=N[C@@H]1c1ccc(O)c(OC)c1 59452406 IBLJTWZKQRKKLU-GTENMVSRSA-N 440.477 2.214 0 40 IEAB Cn1ccnc1CN1C(=O)CO[C@H](c2ccc(NC(=O)c3ccc(F)cc3)cc2)[C@H]1CO 72321489 IWAGBNYEBGNYPP-DENIHFKCSA-N 438.459 2.273 0 40 IEAB biogenic,in-vitro O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCN(CCc2ccccn2)CC1 95472679 XEYPNJDUWCDNTK-LJQANCHMSA-N 439.951 2.282 0 40 IEAB COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl 96136953 WTFOFYLFMYQLCG-UHFFFAOYSA-N 432.951 2.120 0 40 IEAB Cc1cccc(-c2noc(CN(C)C(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)c1 219271099 KTCSXVPQCKVBOD-GOSISDBHSA-N 442.497 2.231 0 40 IEAB COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCCO)cc1OC 222806309 PXAACFHCCXFIMA-HNNXBMFYSA-N 434.920 2.426 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223517074 OZYBKGZLVVXWNE-GOSISDBHSA-N 431.558 2.314 0 40 IEAB C[C@@H](O)c1ccc(C2(CNS(=O)(=O)c3ccc(OCC(N)=O)cc3)CCCC2)s1 225684701 YANYXWNRDFMDHP-CQSZACIVSA-N 438.571 2.456 0 40 IEAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)CS(C)(=O)=O)C4)nn3c2)c1 306133767 MVKLANCZDXACHE-QGZVFWFLSA-N 428.514 2.156 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1COCCN1C(=O)NCCc1nnc2n1CCC2 508337819 CZJWLFBKTNERRT-HXUWFJFHSA-N 449.559 2.412 0 40 IEAB O=C1NC(=O)c2cc(S(=O)(=O)Nc3ccc(-c4noc(C(F)(F)F)n4)cc3)ccc21 520236795 ADTKJRORTFHHHC-UHFFFAOYSA-N 438.343 2.440 0 40 IEAB Cn1cnc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2CCN2CCCC2)n1 585106363 CNHUCGNODPEQAH-UHFFFAOYSA-N 447.543 2.298 0 40 IEAB O=C(Nc1ccc2[nH]nc(NC(=O)[C@@H]3CCc4nccn4C3)c2c1)[C@H]1CCc2nccn2C1 682518429 ACTFUIIXCSEQEG-LSDHHAIUSA-N 444.499 2.358 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](Oc2ccncc2Br)C1 1775973118 HZJQGVKCBFTFGA-ZDUSSCGKSA-N 429.274 2.234 0 40 IEAB COC(=O)C(=O)c1c(C(=O)OC)nc2[nH]n(-c3ccccc3)c(=O)c2c1Cc1ccccc1 1612433 XCVLDGJOJJLXRX-UHFFFAOYSA-N 445.431 2.447 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCCc1ccccc1 2632141 RHIPYQMYHDEESY-UHFFFAOYSA-N 438.933 2.099 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N(C)C2CCCCC2)c1 3256105 NWJJWTZWAHEBNR-UHFFFAOYSA-N 426.535 2.371 0 40 IEAB O=C(Cc1ccccc1)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cnccn2)C1 4277701 GEZGPHLNDMPBEU-ZWKOTPCHSA-N 429.480 2.079 0 40 IEAB biogenic,in-vitro O=C(NCCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 8584765 AAKFESBLAVGACT-FQEVSTJZSA-N 444.484 2.409 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 8685954 LCVWTCNNRFDGIU-UHFFFAOYSA-N 446.481 2.088 0 40 IEAB CC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 8714305 KJKPLOVIJJMMBB-UHFFFAOYSA-N 437.587 2.123 0 40 IEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 9348201 KLXSEWYZOJWNMM-DUBGADTFSA-N 432.318 2.474 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccccc2OC)cc1 9512555 IYWGWZYWZFHVMP-INIZCTEOSA-N 447.557 2.333 0 40 IEAB Cc1cnccc1-c1cnc(N2CCN(S(=O)(=O)N(C)C)CC2)nc1-c1ccco1 12144378 OHGCCIYHIJPBSG-UHFFFAOYSA-N 428.518 2.035 0 40 IEAB O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1)OCCCc1ccccc1 12293920 FGPJVXIGHCAFQU-LJQANCHMSA-N 439.537 2.068 0 40 IEAB C[C@@H](C(=O)NCCC(=O)NCCc1c[nH]c2ccccc12)n1cnc2ccccc2c1=O 12296566 HHXHPOLEBHJKFX-INIZCTEOSA-N 431.496 2.304 0 40 IEAB biogenic COc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1S(=O)(=O)N(C)C 12688910 IVNYCUXMAJLOMJ-MRXNPFEDSA-N 435.527 2.387 0 40 IEAB C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 12814946 CVKZPFABZLFMRU-LLVKDONJSA-N 439.887 2.332 0 40 IEAB O=C(CN(c1nccs1)S(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 14184759 MRLQGFCEGCUYED-UHFFFAOYSA-N 431.495 2.384 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 14233201 QXPYYZXDAOTZCO-KNQAVFIVSA-N 443.569 2.239 0 40 IEAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCCN21 15955007 HOIKFIMALMGQNA-DNBVQBCISA-N 445.475 2.197 0 40 IEAB biogenic O=C(COC[C@H]1CCCCO1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19292061 WOAFYKIMUPUYSV-CQSZACIVSA-N 427.427 2.435 0 40 IEAB O=C(c1ccccn1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C1 19347668 VTVCUSXVCVUCRL-HNNXBMFYSA-N 447.470 2.132 0 40 IEAB O=S(=O)(N1CCOCC1)N1CC[C@H](c2cc(COc3cccc(Cl)c3)[nH]n2)C1 19704602 CUXJASPUJDUBLG-AWEZNQCLSA-N 426.926 2.008 0 40 IEAB CNc1nc(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nc2c1CN(C(C)=O)CC2 19711425 JTZXEHOTGPLVJW-UHFFFAOYSA-N 440.523 2.380 0 40 IEAB Cc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)ncn3C)ncc1C(=O)N1CCOCC1 19755710 MKJZUPYAMLCOEZ-HXUWFJFHSA-N 434.500 2.121 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)CCn3cnc4ccccc43)C2)ncc1C(=O)N1CCOCC1 19757595 CXSUQLHJQQQLIF-SFHVURJKSA-N 448.527 2.013 0 40 IEAB O=S(=O)(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc2c(c1)OCCO2 19819972 ZKTCUSKABBJXQS-GOSISDBHSA-N 438.933 2.463 0 40 IEAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 23030579 YYDVWKUVSQCVTR-LJQANCHMSA-N 433.505 2.384 0 40 IEAB C[C@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 23053520 XYQGZSDEKAEFCH-KRWDZBQOSA-N 431.533 2.500 0 40 IEAB CN(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Cc1ccccc1 23817392 BVMSFELBSSNUAX-HXUWFJFHSA-N 448.564 2.015 0 40 IEAB CC(C)[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc2c(c1)OCCO2 24176479 IQFABKBKRNZKKF-DEOSSOPVSA-N 449.507 2.343 0 40 IEAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1SC[C@@]1(C)NC(=O)NC1=O 25049251 YMBRBJCIIGBGQZ-JOCHJYFZSA-N 437.525 2.465 0 40 IEAB CCn1c(=O)n(CC(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)c2ccccc21 29985464 DYOUNNXGSBFXOA-UHFFFAOYSA-N 438.528 2.185 0 40 IEAB COc1ccc(-n2ncc(C(=O)N3CCN(c4ccccc4O)CC3)c2C(F)(F)F)nn1 32909190 DMHMPFJKXBOGFM-UHFFFAOYSA-N 448.405 2.358 0 40 IEAB O=C(CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2)NC1CCCC1 35289233 YUXBUIVAWSKFMG-UHFFFAOYSA-N 437.496 2.484 0 40 IEAB CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 40090297 YQZCKWOHQWSXED-UHFFFAOYSA-N 449.617 2.388 0 40 IEAB O=C(NCc1cccc(N2CCCC2=O)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 71850228 XUVNMEZCNSSTSD-KRWDZBQOSA-N 433.555 2.344 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NC1(C(=O)Nc2ccc(-n3ccnc3C)nc2)CCCC1 72301591 BDORHOOKEZKJOD-UHFFFAOYSA-N 444.517 2.410 0 40 IEAB CCCN1CCN(C(=O)CCn2cnnn2)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351409 QPIRYHJQKJRNFR-JOCHJYFZSA-N 432.528 2.422 0 40 IEAB COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)cc(=O)[nH]2)CC1 72399233 MHOGZLMRSSTULE-OALUTQOASA-N 442.560 2.185 0 40 IEAB COC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)c1ccc(F)cc1F 89396243 JSJNQKHCSRZELG-SFHVURJKSA-N 438.452 2.297 0 40 IEAB CC1=C[C@H]2C(=O)NC(CSCC(=O)Nc3ccc(Cn4cncn4)cc3)=N[C@H]2S1 94992940 ZSYDHKUBHCTZGJ-KXBFYZLASA-N 428.543 2.119 0 40 IEAB Cc1c(Cl)cccc1S(=O)(=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O 206640969 PQBCHPYXVAHSSM-UHFFFAOYSA-N 433.921 2.382 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O 222951247 OSDJWGKJKBYYSE-INIZCTEOSA-N 435.521 2.145 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223517261 QBISRUMZMSJEFK-SFHVURJKSA-N 431.558 2.314 0 40 IEAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1OC 223584147 GBTTVVAEZJCVRL-UHFFFAOYSA-N 447.469 2.346 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)cc2)Oc2ccccc21 225000464 NXJYDWOLTMTDDH-FQEVSTJZSA-N 431.514 2.079 0 40 IEAB CCCc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2ccc3cc(C(N)=O)ccc32)C1 257206128 BBYZQNYDGGDMIL-FGZHOGPDSA-N 445.523 2.487 0 40 IEAB O=C(CN1C[C@@H](c2cccc(F)c2)[C@@]2(CCCC(=O)N2)C1)NCCc1nc2ccccc2[nH]1 257324720 WPVOVMWEEQWRHV-UQBPGWFLSA-N 449.530 2.499 0 40 IEAB Cc1nc(CN2C[C@]3(CCN(C(=O)N(C)C)C3)Oc3ccccc3S2(=O)=O)cs1 306123668 ATLPQPODVNAREO-LJQANCHMSA-N 436.559 2.161 0 40 IEAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CCCO3)cn12 306134621 NTSGFGPJYWKMJG-PMACEKPBSA-N 426.565 2.115 0 40 IEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 390831050 PHWJHXNJMSJHEJ-VFNWGFHPSA-N 443.525 2.407 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3ccnc3)CC2)cc1Cl 408595577 SHGWOJBYFFUHBX-UHFFFAOYSA-N 440.953 2.152 0 40 IEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 409198051 VUWSKBZVPWWDDG-UHFFFAOYSA-N 449.548 2.488 0 40 IEAB CC(C)(NC(=O)c1ccccc1F)C(=O)N1CC[C@@](O)(CN2CCc3ccccc3C2)C1 585261760 HWDPIFAVOSCZQB-RUZDIDTESA-N 439.531 2.356 0 40 IEAB COc1cc(CN2CC[C@](O)(CN3CCOCC3)C2)ccc1OCCN1CCC(C)CC1 585274396 VXNKBTSTBHRYFE-VWLOTQADSA-N 447.620 2.075 0 40 IEAB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NCc4ccccc4F)[C@H]4CO[C@@H]3O4)c2cc1OC 1534639806 FYCWBGTZDUWZQL-CSEOROSGSA-N 429.448 2.008 0 40 IEAB CCOC(=O)C1=NN[C@@]2(c3ccccc3)C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 646082 LTZMZVNKGSZTKP-MGPUTAFESA-N 442.269 2.356 0 40 IEAB CCn1nc(CC(=O)Nc2nnc(CC(=O)N3CCCCC3)s2)c2ccccc2c1=O 1351533 LUNXVDYOSQSRSS-UHFFFAOYSA-N 440.529 2.004 0 40 IEAB CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4ccccc4)CO[C@H]23)c1 4235459 ZPHNRVJCXANIFK-MTQWCTHYSA-N 440.452 2.377 0 40 IEAB biogenic,in-vitro C/C=C/Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(OC)ccc2OC)n(C)c1=O 5252056 XSXYFJVQXQCNTM-PSKZRQQASA-N 425.489 2.278 0 40 IEAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1CCCN(C)C 8706560 MUQUKOUYHLZIBO-UHFFFAOYSA-N 428.924 2.111 0 40 IEAB COc1cccc([C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)C2=O)c1 8850484 IRQHJRJDENRENW-QKFKETGDSA-N 436.468 2.226 0 40 IEAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1nc(-c2ccccc2)no1 9254273 JBOXBMXENAZGIF-UHFFFAOYSA-N 428.470 2.199 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C 9373392 WOXZWDZKYPKWBP-UHFFFAOYSA-N 436.486 2.098 0 40 IEAB CN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9662152 ODMVUBWOVYCTGB-OAHLLOKOSA-N 432.527 2.265 0 40 IEAB C[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)CCC2 9789349 FZQPKDQTOSSTDG-KBPBESRZSA-N 434.587 2.400 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1 9960321 UKXWWJMOCDQZCV-HXUWFJFHSA-N 447.513 2.358 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCC2=O)cc1 10455072 CTWVYSXOJODFPN-AWEZNQCLSA-N 435.933 2.450 0 40 IEAB O=C(c1cc(C2CC2)n([C@H]2CCS(=O)(=O)C2)n1)N1CCN(c2ccc(F)cc2)CC1 12229830 VIFXCWZVTQEENG-SFHVURJKSA-N 432.521 2.222 0 40 IEAB O=C(COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 12551339 MMLKUSKVAZXDFK-CHWSQXEVSA-N 438.383 2.055 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12881768 ATPLPIAXNIWEIL-SFHVURJKSA-N 431.558 2.478 0 40 IEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 12911928 LEDPODQJTPWWHN-UHFFFAOYSA-N 439.438 2.004 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 14413284 GGVUQIDBDPZMOT-UHFFFAOYSA-N 433.530 2.084 0 40 IEAB Cc1ccc(-n2nnc3c(N4CCN(S(=O)(=O)c5ccccc5)CC4)ncnc32)cc1 15884112 NHHCWJUMPURQPD-UHFFFAOYSA-N 435.513 2.030 0 40 IEAB COc1cc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc(OC)c1OC 16845413 FPWVJAIWZWACBF-UHFFFAOYSA-N 447.517 2.446 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(C(=O)CN4CCCC[C@@H]4C)CC3)c(=O)c2c1C 19561365 KXFXPRVVPOLMHJ-HNNXBMFYSA-N 432.590 2.303 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 19709651 PTJREKLLNPLJMZ-GOSISDBHSA-N 425.533 2.306 0 40 IEAB CC(=O)N1CCC[C@H]1c1nc(CN(C)CC(=O)Nc2ccccc2F)cc(N(C)C)n1 19763377 PFPAHQWJNMJNHK-IBGZPJMESA-N 428.512 2.436 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1OC 19889748 UGKOURNPZFDUOJ-UHFFFAOYSA-N 433.530 2.169 0 40 IEAB CSc1nc(C)c(CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c(=O)[nH]1 22422750 DXRIWQWWAQQSCG-UHFFFAOYSA-N 430.578 2.303 0 40 IEAB O=C1COc2cc(C(=O)Nc3cccc(S(=O)(=O)NCc4ccco4)c3)ccc2N1 22591840 UEVOICIDVJZNOB-UHFFFAOYSA-N 427.438 2.341 0 40 IEAB NC(=O)c1ccsc1NC(=O)CN1CCN(Cc2ccc(Br)s2)CC1 22790161 LTDPEZAQBNGERM-UHFFFAOYSA-N 443.392 2.427 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 23457551 MSLBLIDRVPJKDF-UHFFFAOYSA-N 425.551 2.051 0 40 IEAB CC[C@H](C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC(C(N)=O)CC1 24829040 XENNSBVEMBFEGF-BLLLJJGKSA-N 449.495 2.122 0 40 IEAB COc1ccc(F)cc1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 27914977 IEAFVRRFEWYPQM-UHFFFAOYSA-N 434.445 2.410 0 40 IEAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@@H](C)CC)C2)NC(=O)NC1 29589505 OZRMCIVLGQBDRR-LSDHHAIUSA-N 443.500 2.226 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCCc3ccccc3)CC2)c(C)c1 34855423 IICBFLXHWURBFX-UHFFFAOYSA-N 429.586 2.359 0 40 IEAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 40158629 GBUBKUBQCBLSCK-CQSZACIVSA-N 443.481 2.274 0 40 IEAB COCc1nnc(NC(=O)[C@H](C)NC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 44891854 IXTXHASZIYODEK-LBPRGKRZSA-N 438.941 2.197 0 40 IEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)N2CCCCCC2)c1 71772606 UWLXXIKZKVNFLT-QGZVFWFLSA-N 446.573 2.362 0 40 IEAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)CN3C(=O)CNC3=O)cc2N1 72389786 ZMTUDLVCTBHSFT-FPMFFAJLSA-N 442.442 2.042 0 40 IEAB O=C(C[C@@H](CN1CCN(c2ncccn2)CC1)C(=O)O)Nc1cccc(C(F)(F)F)c1 72403077 LYARLEMGHWBVHG-AWEZNQCLSA-N 437.422 2.347 0 40 IEAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)C2)n1 79502269 YQMNVLMAZLXRMH-QGZVFWFLSA-N 429.546 2.488 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1F 95949286 OOGJQFXBKUMGAS-SFHVURJKSA-N 425.913 2.320 0 40 IEAB COC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc1 96120521 NTDWHQCWSVNQPW-UHFFFAOYSA-N 432.502 2.091 0 40 IEAB CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(S(=O)(=O)c1ccc(F)c(F)c1)C2 96237999 UUZDBQAZFFMZLK-HXUWFJFHSA-N 439.459 2.216 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1cc(C)cc(C)c1)c1ccc2c(c1)OCCO2 224081705 QVDCALMIAQKHKF-UHFFFAOYSA-N 448.541 2.426 0 40 IEAB CC(C)c1nc2cc(C(=O)N3CC[C@@](C)(O)[C@H](n4cnc5c(N)ncnc54)C3)ccc2[nH]1 257341771 ZLXOIXMPJWBHIQ-OPAMFIHVSA-N 434.504 2.246 0 40 IEAB Cc1ccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 260932823 NBUKCOAIQBWZQZ-JKSUJKDBSA-N 438.571 2.430 0 40 IEAB O=C(NCc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 306141623 WCEGGZIDLLWJSN-RBUKOAKNSA-N 431.496 2.241 0 40 IEAB COC[C@H](C)NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1OC 408619269 GZFSXXDWZVGFPE-INIZCTEOSA-N 436.530 2.359 0 40 IEAB CN(C)[C@@H]1C[C@@H](C(N)=O)N(C(=O)CCCNc2ncnc3ccccc23)[C@H]1c1ccccc1 585262201 LNTQMTVJXCQDLM-GIWBLDEGSA-N 446.555 2.580 0 40 IEAB COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604404641 GNOAGBVDDQBVOS-INIZCTEOSA-N 427.457 2.237 0 40 IEAB biogenic COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775974109 WOYZPNHAVHSAQW-UHFFFAOYSA-N 429.420 2.455 0 40 IEAB Cc1cnc(CCNC(=O)[C@H]2CN(C(=O)c3cccc(N4CCCC4)c3)CCN2C)s1 1848353530 HHUPMZUHAGARJJ-HXUWFJFHSA-N 441.601 2.167 0 40 IEAB COc1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1OC 3474214 DABYNFYIGKTINZ-JTQLQIEISA-N 440.374 2.421 0 40 IEAB O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3557215 QVTQOYJCANGMQI-FPYGCLRLSA-N 432.473 2.143 0 40 IEAB Cc1cccc(N2CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)c3ccc(Cl)cc3)CC2)c1 8746103 JOSWSVQFIYJLDT-HXUWFJFHSA-N 442.947 2.361 0 40 IEAB COc1ccccc1CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(O)cc(C(C)C)n1 9038524 JEISNUWKVKBYKA-UHFFFAOYSA-N 438.488 2.106 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21)Nc1ccc(F)cc1 9660636 SXSIUABINLGYFG-UHFFFAOYSA-N 448.410 2.113 0 40 IEAB CC(C)OCCCn1c(=O)c2ccccc2n2c(CCC(=O)NC[C@@H]3CCCO3)nnc12 9831617 XGDUZYJVQKPGFH-KRWDZBQOSA-N 441.532 2.087 0 40 IEAB COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9838069 WOAHSOIEPPPUII-OAHLLOKOSA-N 446.554 2.417 0 40 IEAB O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCc1ccc(Cl)c(Cl)c1 10039631 MSUZNCCFHFSTPB-UHFFFAOYSA-N 431.297 2.131 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H](c3nn(C)c4ncccc34)C2)cc1 12253745 CBKLNPVEBWTAJG-KRWDZBQOSA-N 441.557 2.215 0 40 IEAB O=S(=O)(Cc1ccc(F)cc1)c1nnnn1-c1ccc(I)cc1 12374463 UVYWABIDSLEMIA-UHFFFAOYSA-N 444.229 2.380 0 40 IEAB O=C(c1cnn(Cc2ccccc2)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12594451 ROZXMAPIMDORGB-JOCHJYFZSA-N 432.480 2.056 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1n[nH]cc1I 12649576 BZOONNYYFVADSV-UHFFFAOYSA-N 446.270 2.051 0 40 IEAB CNC(=O)C1CCN(C(=O)[C@@H](C)SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12817088 BJNQHVDQDAITKD-GFCCVEGCSA-N 448.614 2.470 0 40 IEAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccccc1Br 12856672 PVEWHSIQQXFUMS-IAQYHMDHSA-N 443.319 2.150 0 40 IEAB C[C@]1(CSc2ccccc2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)NC(=O)NC1=O 12927754 BNFWOLJKFQFEDZ-GAJHUEQPSA-N 438.553 2.381 0 40 IEAB COc1ccc2[nH]c(C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)cc2c1OC 13722374 BTBDCYNAJBUTBR-UHFFFAOYSA-N 436.512 2.259 0 40 IEAB CC(=O)c1ccc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 13728233 YUHDHLAPFZGDSI-GOSISDBHSA-N 443.525 2.045 0 40 IEAB CN(CC(=O)Nc1ccccc1Br)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 14228492 BHUUZMKEYAQJTK-UHFFFAOYSA-N 438.303 2.203 0 40 IEAB COc1cc(CNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC 15613818 IMPLCMAKUCCHEP-PSLXWICFSA-N 447.532 2.465 0 40 IEAB COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1OC 15739226 KFPHFRXQPXIFHN-UHFFFAOYSA-N 448.541 2.006 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4C[C@H](C)O[C@H](C)C4)CC3)CC2=O)cc1 18168600 MJXUTQYZEVFXTK-WSTZPKSXSA-N 427.545 2.222 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCC(c3nc4ccc(F)cc4cc3N)CC2)CC1 19572262 DLYHGNRRGYTLKQ-UHFFFAOYSA-N 434.537 2.334 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)c(C)c1 22246510 HUFMFCYQIQTZEZ-NRFANRHFSA-N 429.586 2.275 0 40 IEAB COc1cc(C(=O)NCCO)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 22253887 CXHVHLIEEKPNLS-UHFFFAOYSA-N 442.921 2.046 0 40 IEAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22805328 KYPJLQSPIXVHHW-RTWAWAEBSA-N 431.533 2.310 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN([C@H](C)C(=O)NC4CCCC4)CC3)cccc2c1 24669237 DPVUUTHRCUXMNE-QGZVFWFLSA-N 430.574 2.297 0 40 IEAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 28982003 YGNNRAHDCRMTAH-TVYZCSMLSA-N 425.510 2.226 0 40 IEAB COCCCNC(=O)c1nc(-c2ccco2)cc2c1nc(C)n2[C@H]1CCS(=O)(=O)C1 32616525 JAHVFECSKKAPCN-AWEZNQCLSA-N 432.502 2.126 0 40 IEAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 32810472 GOJWEAMXSNFECF-WOJBJXKFSA-N 427.476 2.463 0 40 IEAB O=C(Nn1cnc2ccccc2c1=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 32845341 CGMXUMHNFMIHHW-UHFFFAOYSA-N 445.460 2.341 0 40 IEAB CCOc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(OCC)cc1Br 36638919 NWOPLGRNWWSCEK-UHFFFAOYSA-N 435.340 2.133 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1nnn(-c2ccc(C)cc2)c1C 40157958 PALXACNLTPNORM-UHFFFAOYSA-N 443.529 2.324 0 40 IEAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCN1CCN(C(=O)c2cccs2)CC1 44226839 SLKQFHDWNFUOSS-UHFFFAOYSA-N 441.532 2.476 0 40 IEAB O=C(NCCc1cc2ccc(F)cc2[nH]c1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 49597379 ZCKOVVUMNBPOGT-UHFFFAOYSA-N 443.500 2.424 0 40 IEAB COc1ccccc1-n1ccn(CC(=O)Nc2cccc(Br)c2)c(=O)c1=O 67256375 KQJYWEAZUCRSFD-UHFFFAOYSA-N 430.258 2.409 0 40 IEAB COc1ccc(NC(=O)CN2CCCC[C@H]2c2cc(C(=O)N3CCOCC3)[nH]n2)cc1 72380727 JNPBCMZSSDTJFH-FQEVSTJZSA-N 427.505 2.056 0 40 IEAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CN2CCOCC2)[C@@H](c2cccs2)C1 95945946 TUGVBBLLQHCBAB-GOSISDBHSA-N 448.570 2.130 0 40 IEAB CC1([C@@H]2CCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)OCCO1 96010287 GYKBUFTXJYHMOW-IAGOWNOFSA-N 440.537 2.228 0 40 IEAB Cc1cc(OCC(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)cc(C)c1Cl 96124254 URPKREIPCYYCMO-UHFFFAOYSA-N 427.896 2.055 0 40 IEAB C[C@@H](C(=O)OCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102237906 RGELPPVZRYDVAP-RWMBFGLXSA-N 443.525 2.470 0 40 IEAB Cc1nc(CN2CC[C@]3(CN(C(=O)Cc4ccco4)C[C@@H]3c3cn(C)cn3)C2=O)cs1 306140258 UOEMQGHEGMUYPU-XMSQKQJNSA-N 439.541 2.365 0 40 IEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCCc1nc(-c2cccnc2)no1 604419365 FJMRWVAFXADYRV-NVVBAYIOSA-N 433.468 2.290 0 40 IEAB FC(F)(F)c1nnc2ccc(N3CCN(c4ncc(Br)cn4)CC3)nn12 1775974201 XZEWLDXVGQIRGF-UHFFFAOYSA-N 429.204 2.022 0 40 IEAB O=C(CSc1nnc(CNc2ccc(F)cc2)o1)N1CCN(C(=O)c2ccco2)CC1 4375075 XIDKOCJFMMSCJU-UHFFFAOYSA-N 445.476 2.491 0 40 IEAB CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C 8724553 XXOJSONQNNWMEF-AWEZNQCLSA-N 444.923 2.392 0 40 IEAB CC(C)C[C@H](NC(=O)C1CCC(CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 8790328 KPZYKZKTIXZRHP-OTBWCIGPSA-N 441.569 2.438 0 40 IEAB biogenic Cc1cccc(N2CCN(C(=O)[C@@H](NC3=NS(=O)(=O)c4ccccc43)C(C)C)CC2)c1 9313808 AXJULEMUDXPRSZ-NRFANRHFSA-N 440.569 2.407 0 40 IEAB COc1ccc(CC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 9595319 LQFDTZVFQYJBCT-UHFFFAOYSA-N 436.512 2.407 0 40 IEAB Cc1ccc(CN2N=C(c3ccc(F)cc3)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1 9707548 VAHCHJSGFDNXMO-UHFFFAOYSA-N 432.459 2.306 0 40 IEAB C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCOc1ccc(F)cc1 9729255 YRGSAOVJKCMNFD-SJCJKPOMSA-N 431.869 2.129 0 40 IEAB O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1F 9883963 VWVJCKINPRGSOY-UHFFFAOYSA-N 432.832 2.469 0 40 IEAB CCN(c1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1)S(C)(=O)=O 10008591 SAAOMKGQRDCWHR-UHFFFAOYSA-N 425.532 2.121 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1 11694531 ZPYVPJOLUUNJBA-UHFFFAOYSA-N 425.470 2.157 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)CC1 12140134 PQWJVJPTSDPCSS-UHFFFAOYSA-N 427.482 2.243 0 40 IEAB O=C(CCc1cccnc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 12551777 UIUAFZNKZQFOBH-UHFFFAOYSA-N 443.447 2.446 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)c1C 12601676 RDTDPKZHHGGRPR-UHFFFAOYSA-N 435.864 2.325 0 40 IEAB Cc1nn(-c2ccc(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)nn2)c(C)c1C 13009430 FBJRNOHCRCJVRQ-UHFFFAOYSA-N 426.546 2.240 0 40 IEAB O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 13627702 SCXRYRRBNODITJ-UHFFFAOYSA-N 431.514 2.124 0 40 IEAB COc1ccc(S(=O)(=O)NCCCc2ccc(F)cc2)cc1C(=O)N1CCOCC1 13675389 YKIWWHZWWXNGBS-UHFFFAOYSA-N 436.505 2.218 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2 13992265 NOQLKAKJYSNWHQ-UHFFFAOYSA-N 433.420 2.214 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 14804402 MWYQMLOOPAAUDT-UHFFFAOYSA-N 442.497 2.028 0 40 IEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 15646428 OBLVQXOPKGCHKZ-UHFFFAOYSA-N 430.465 2.228 0 40 IEAB COCCNC(=O)CSc1ccccc1C(=O)OCC(=O)N(C)Cc1ccsc1 19314985 JMXTXENZYYWHIL-UHFFFAOYSA-N 436.555 2.418 0 40 IEAB O=C(c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3)N1CCC[C@H](CO)C1 19372403 HLHQMKPHZUGKCZ-FQEVSTJZSA-N 446.551 2.299 0 40 IEAB O=C(CCN[C@H]1C=CS(=O)(=O)C1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 19374522 NXMJNBTVJSKTLG-KRWDZBQOSA-N 426.542 2.011 0 40 IEAB COc1ccc(OCCN2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)cc1 22815577 AOHDECMLXCIYQO-UHFFFAOYSA-N 430.549 2.294 0 40 IEAB CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)Cc2nc(Cc3ccccc3)no2)c1 48230626 GCTBYGCYDUTFCB-UHFFFAOYSA-N 435.527 2.026 0 40 IEAB COc1ccc(-n2cnnc2SCC(=O)N2CCCC[C@@H]2C(=O)N2CCCC2)cc1 58224024 VENHDOWQZSFVEP-GOSISDBHSA-N 429.546 2.372 0 40 IEAB CCOC(=O)[C@H]1CCc2sc(NC(=O)C3CN(C(=O)COc4ccccc4F)C3)nc21 70815076 AFZVWZSYJNAEKM-ZDUSSCGKSA-N 447.488 2.351 0 40 IEAB O=C1CN(C(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c2ccccc2N1 71772331 HONRSONDSXCTPN-UHFFFAOYSA-N 430.424 2.048 0 40 IEAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)N(C)S(=O)(=O)N1 72335109 JHLZWOGJOTZZPR-ZIAGYGMSSA-N 432.333 2.254 0 40 IEAB Cn1cc2c(n1)[C@@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)COc1ccccc1)C2 72345637 WTTBOEVLUXYCMI-NRFANRHFSA-N 436.487 2.423 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96103510 LBZZHPGFUPJJKD-KRWDZBQOSA-N 443.930 2.364 0 40 IEAB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)N1C[C@H]2C[C@H](C1)C1=[N+](C2)C(=O)CC=C1 101362930 HQRRSAOXPVENFX-MJTYITSWSA-N 442.542 2.203 0 40 IEAB CC(C)(C)C(=O)NCc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 103637857 ZMGZXZHBQRBGHU-GASCZTMLSA-N 448.541 2.312 0 40 IEAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)C1 222617949 KEURFONKDOGCQB-CYBMUJFWSA-N 426.926 2.410 0 40 IEAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 253373088 HQRWKTTVHHQXEG-DBHNTLKXSA-N 448.589 2.183 0 40 IEAB CCCOc1ccc(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260899475 LGEGXUMOYFONMH-SFHVURJKSA-N 434.514 2.198 0 40 IEAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306124966 CDKVPTNXXUZBPW-YADARESESA-N 447.543 2.251 0 40 IEAB COc1ncc(CN2CCO[C@@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cc1C 585102145 CJYSFMQVJYINQR-NZQKXSOJSA-N 447.482 2.353 0 40 IEAB Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@@H](OC1CCOCC1)c1ccccc1 1636632848 BVDPBAUBGMVELA-FOIQADDNSA-N 433.530 2.093 0 40 IEAB O=C(Cn1c(=O)oc2ccccc21)N1CCC(Oc2ncc(Br)cn2)CC1 1775976591 BVPSSSMJHPLRBH-UHFFFAOYSA-N 433.262 2.217 0 40 IEAB COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)c1 2494173 DVPYJVMIEBRAQC-UHFFFAOYSA-N 432.458 2.256 0 40 IEAB CC(C)COC(=O)N1C[C@H](O)C[C@H]1C(=O)OCC(=O)c1ccc(Br)cc1 6134791 MXSLYWKFWKQMGA-CABCVRRESA-N 428.279 2.403 0 40 IEAB biogenic CCOc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3cccnc3Cl)C2=O)cc1OCC 9170704 WMUMURYMXNTFQH-UHFFFAOYSA-N 446.847 2.466 0 40 IEAB Cn1nnnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 9507761 TVOCUMLUNCPETL-UHFFFAOYSA-N 444.970 2.159 0 40 IEAB CN(C)c1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 9509921 SVEOYGWQGXWYTQ-UHFFFAOYSA-N 431.514 2.333 0 40 IEAB O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1 9806911 UBSPYJNVGAGFLX-CQSZACIVSA-N 427.935 2.310 0 40 IEAB COc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC 12561175 NXPRYPDHQFVIAN-VQHVLOKHSA-N 432.498 2.377 0 40 IEAB CC[C@H](C)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 12883244 YFTLVPAMEUTPTF-SGDAXVNKSA-N 433.574 2.063 0 40 IEAB biogenic C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 14521275 MULFMASTDFBAJD-RNXZQOMOSA-N 425.577 2.493 0 40 IEAB COCc1cnc2c(c1SCC(=O)Nc1ccc(C)cc1C)c(=O)n(C)c(=O)n2C 15883760 JKNJRCHXHJLGQC-UHFFFAOYSA-N 428.514 2.126 0 40 IEAB CCOC(=O)C1=C(COC(=O)COc2ccc(OC)cc2)NC(=O)N[C@H]1c1ccco1 18269666 VTIXWNPVPZLZIU-IBGZPJMESA-N 430.413 2.082 0 40 IEAB CCNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2n[nH]c(=O)[nH]2)C1 19528954 ZOYBVENWWWJTFX-OAQYLSRUSA-N 425.514 2.038 0 40 IEAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cnc(N(C)C)nc2)C3)c(OCC)n1 19531668 DGYFJUAVOVOJAD-NHJWOMDBSA-N 442.564 2.250 0 40 IEAB CN1C[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)[C@@H](c2ccnc(N3CCOCC3)n2)C1 19590797 WHERDHRNTFYSDY-ROUUACIJSA-N 449.477 2.294 0 40 IEAB Cc1ccc(C(=O)N2CCC[C@@H](N3C(=O)NC4(CCN(C(=O)C(C)C)CC4)C3=O)C2)s1 19699592 ANNJHZBABMTWJB-MRXNPFEDSA-N 446.573 2.230 0 40 IEAB COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 22227782 IBROGPBRAFUPQO-UHFFFAOYSA-N 438.571 2.391 0 40 IEAB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22512491 QVIASPVJSJROGS-LSDHHAIUSA-N 434.514 2.498 0 40 IEAB COc1cc(N2C[C@@H](C(=O)Nc3cccnc3-n3cccn3)CC2=O)cc(OC)c1OC 23177091 YVWZZUMQEVEVJB-AWEZNQCLSA-N 437.456 2.285 0 40 IEAB COc1cc2nc(CN3Cc4c(OC)ccc(OC)c4[C@H](O)C3)[nH]c(=O)c2cc1OC 32836283 CUQYUYLZMDIPJK-OAHLLOKOSA-N 427.457 2.007 0 40 IEAB CC(C)(C)OC(=O)CC[C@@H](NC(=O)CC[C@H](N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 38992105 KBONZTYAIRBOLZ-LSDHHAIUSA-N 444.569 2.384 0 40 IEAB O=C1CN(c2ccc(NC(=O)N(C[C@@H]3CCCO3)C[C@H]3CCCO3)cc2Cl)CCN1 48325588 ZATVACXSIVOBAW-CALCHBBNSA-N 436.940 2.468 0 40 IEAB CCCCCn1c(CN2CCN(c3ccc(F)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 57010937 AQBKQHVYSWRECN-UHFFFAOYSA-N 442.539 2.085 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 59250654 KGMWRYHKZTXCHM-UHFFFAOYSA-N 436.555 2.209 0 40 IEAB COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)NCCc2nc3ccccc3[nH]2)C1=O 96232129 UGHNIFFGVPWSFO-SFHVURJKSA-N 435.484 2.131 0 40 IEAB COc1ccc(S(=O)(=O)C2CN(C(=O)CCc3ccc(OC)c(OC)c3OC)C2)cc1 96377954 ICVQYVLNSYBFJD-UHFFFAOYSA-N 449.525 2.338 0 40 IEAB COc1ccc([C@H](CNc2c(N3CCN(Cc4ccccc4)CC3)c(=O)c2=O)N(C)C)cc1 101702127 YVCHHFGNVJBDMU-QFIPXVFZSA-N 448.567 2.328 0 40 IEAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 219970926 LJDQLIGOJKQGCL-GOSISDBHSA-N 432.542 2.354 0 40 IEAB CCOC(=O)C1CCN(C(=O)c2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)CC1 408699588 YANTVGCIMIUHFF-UHFFFAOYSA-N 438.546 2.285 0 40 IEAB Cc1ccc(CC(=O)N2CCO[C@@]3(C2)C(=O)N(CCN(C)C)C[C@H]3c2ccccc2)cc1 585106740 HAJDXASMFRHZFM-JYFHCDHNSA-N 435.568 2.323 0 40 IEAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1ccn(C(F)F)n1)O[C@H](C(C)C)C(=O)N2 585281688 PCAHAVDKTIVTJI-CQSZACIVSA-N 428.417 2.061 0 40 IEAB COc1cccc(CCN2C[C@@]34CN(CCc5ccccc5)C[C@@H](C[C@@H]3S2(=O)=O)O4)c1 2055785090 BUJRNGRHZIRBNE-SGNDLWITSA-N 442.581 2.338 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1cccs1 631716 GTDSMGZOLUVLOF-QMJOVRGKSA-N 426.519 2.478 0 40 IEAB COc1ccc(C(=O)Oc2cccc3cccnc23)cc1S(=O)(=O)N1CCOCC1 806196 ZWVXCARJWQKEEI-UHFFFAOYSA-N 428.466 2.484 0 40 IEAB COC(=O)c1ccccc1S(=O)(=O)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O 914365 LYQFSUJNABZQPM-UHFFFAOYSA-N 444.509 2.115 0 40 IEAB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 3570194 QKJIJYVDLMEAOD-UHFFFAOYSA-N 437.452 2.455 0 40 IEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C(=S)NC[C@@H]2CCCO2)CC1 9052132 POEOJXDGGBPEQI-AWEZNQCLSA-N 437.509 2.065 0 40 IEAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(-n2cnnn2)cc1 9712103 JSPRVPSEXLRTOA-UHFFFAOYSA-N 448.508 2.492 0 40 IEAB Cc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc12 9713209 QOJRIEPUAKINGX-UHFFFAOYSA-N 429.480 2.496 0 40 IEAB O=C(NCCc1cccc(Cl)c1)NCc1ccccc1S(=O)(=O)N1CCOCC1 9868662 NRBDUJHZKNTULJ-UHFFFAOYSA-N 437.949 2.403 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccccc2Cl)cc1 10283267 YIQGFVNRYRKNAC-UHFFFAOYSA-N 435.933 2.144 0 40 IEAB Cc1ccc(-n2nnnc2SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)c(C)c1 11282064 ASTHGGSHYYCYEL-UHFFFAOYSA-N 425.474 2.456 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11795963 ASPCNHUNTFUJRJ-ZDUSSCGKSA-N 437.499 2.312 0 40 IEAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCN1C(=O)COc2ccccc21 12522615 WGGQDJRYXPIBTK-UHFFFAOYSA-N 446.529 2.123 0 40 IEAB O=C(c1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12860033 CUNRPGORDWEAOM-UHFFFAOYSA-N 441.509 2.476 0 40 IEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 13001518 SSRIOBANIGQBBK-RTBURBONSA-N 440.521 2.305 0 40 IEAB O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)N[C@@H]1CCS(=O)(=O)C1 13572594 IDKWZDJWVOAIKS-CKXDQPNJSA-N 428.919 2.070 0 40 IEAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCCC2)c1=O)C[C@@H](C)CC3 13608024 FXVBKVBZPHYAMH-HNNXBMFYSA-N 433.574 2.399 0 40 IEAB COc1cc(NC(=O)CCNC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC 13609917 BEVGJZXJSDIWRV-UHFFFAOYSA-N 428.445 2.209 0 40 IEAB COc1ccc(OCC(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CN(C(C)=O)CC3)cc1 19018939 FDLLYUYOMZSXDI-HXUWFJFHSA-N 440.500 2.228 0 40 IEAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)c3ccncc3)[nH]c(=O)c2C1 19239480 VJFBBKZRAAERAS-HXUWFJFHSA-N 444.495 2.044 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C[C@H](C)n3cccn3)[nH]c2=O)C1 19501645 XASUFDBVMVSZIU-QFBILLFUSA-N 440.548 2.356 0 40 IEAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 19591363 AIGQURRXXSJXBF-JPYJTQIMSA-N 425.554 2.401 0 40 IEAB COCCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C4CCC4)C3)cc(=O)[nH]2)CC1 19593101 NYDFWKFREUJKNY-GOSISDBHSA-N 430.549 2.019 0 40 IEAB Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)Cn3cccn3)nc21 19698413 PVGXEADOAIJEJM-UHFFFAOYSA-N 448.527 2.307 0 40 IEAB CN(C)c1ccc(C(=O)N2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cc1 19759472 OADXSEDEOVMWPO-HSZRJFAPSA-N 448.523 2.237 0 40 IEAB CNC(=O)c1cnc(C2CCN(C(=O)CCS(=O)(=O)c3ccc(C)cc3)CC2)nc1C 19766451 SQZVARDJAYFOQU-UHFFFAOYSA-N 444.557 2.023 0 40 IEAB COc1ccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 20460381 NBBPRTDVOHIMQS-UHFFFAOYSA-N 432.542 2.220 0 40 IEAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(CCOc2ccccc2)CC1 22024981 KPLNEGPLMWCTPR-UHFFFAOYSA-N 443.569 2.308 0 40 IEAB CCN1C(=O)[C@H](CC(=O)Nc2ccc(OC)cc2)N(NC(=O)CCc2ccccc2)C1=O 22133947 LEXOQANLCFLRQQ-IBGZPJMESA-N 438.484 2.341 0 40 IEAB Cc1ccc(N(Cc2ccco2)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 23270777 WYGNSAYWEGSTMM-QGZVFWFLSA-N 429.498 2.287 0 40 IEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(=O)Nc3ccc(C)c(F)c3)C2=O)cc1 23805255 MDAWOXYNGFYMDW-JOCHJYFZSA-N 427.432 2.391 0 40 IEAB C[C@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1ccccc1 25100110 URVHTTRPZWYIBC-MAUKXSAKSA-N 436.464 2.496 0 40 IEAB Cn1c(=O)c2c(ncn2CCOC(=O)/C=C/c2ccc(-c3ccccc3)s2)n(C)c1=O 26699973 YNEZPUHXPJLZFS-PKNBQFBNSA-N 436.493 2.419 0 40 IEAB COCCn1cnnc1SCC(=O)Nc1cc2c(cc1Br)OCCO2 29772080 BORBCAGCWJXALU-UHFFFAOYSA-N 429.296 2.189 0 40 IEAB CSc1nc(-c2cccs2)nc(C)c1C(=O)NC1CCN(S(C)(=O)=O)CC1 29825505 MECCPPXVEMGHSS-UHFFFAOYSA-N 426.589 2.389 0 40 IEAB COc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc(OC)c1OC 31582210 IJKYLTSZCJNRDI-KRWDZBQOSA-N 448.541 2.430 0 40 IEAB COc1cccc(N2CCN(C(=O)c3cc(-n4cnnn4)ccc3Br)CC2)c1 32103026 XITXLPDJQXGVRX-UHFFFAOYSA-N 443.305 2.396 0 40 IEAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(N)=O)c1 32741920 NIIORBDDYUKYKW-UHFFFAOYSA-N 441.513 2.487 0 40 IEAB CCOC(=O)c1cc(CC)sc1NC(=O)CN1CCc2cc(S(N)(=O)=O)ccc21 32851088 LPMKSFVRZZVVFK-UHFFFAOYSA-N 437.543 2.136 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 41157387 WDEZJAKRNITIMU-VQTJNVASSA-N 444.553 2.447 0 40 IEAB COc1ccc(OC)c(N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)S(C)(=O)=O)c1 44883925 ITCAHTKJZQACTA-UHFFFAOYSA-N 447.513 2.235 0 40 IEAB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 44886273 FWLBSRSMCPLDEV-OAHLLOKOSA-N 434.514 2.327 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNCc1ccccc1Cl 57211564 CFHYLBKIBXOJQB-UHFFFAOYSA-N 437.949 2.398 0 40 IEAB Cc1cc(C)n([C@@H](C)CC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338836 CSPGFEGRXJMPOI-HRAATJIYSA-N 431.562 2.420 0 40 IEAB O=C(c1ccccn1)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2ccc(O)cc2)CC3)CC1 72398960 VPPMMRLUHYXLND-UHFFFAOYSA-N 445.523 2.449 0 40 IEAB COC(=O)[C@@](C)(c1ccccn1)N(C)C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 95462367 IUJRZDGZNVBRJH-QMHKHESXSA-N 425.485 2.298 0 40 IEAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2 96114574 SIXXQZJTKODWHB-FQEVSTJZSA-N 445.479 2.372 0 40 IEAB biogenic COc1ccc(C(=O)N2CCN(C)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224761681 ZZXIKHXNXDAWCG-UHFFFAOYSA-N 435.521 2.188 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)ccc21 225114098 DRAJENXYMNNHEX-UHFFFAOYSA-N 447.538 2.356 0 40 IEAB CCOc1ccc(N([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 225245360 QVFXCIITMWTZLU-MAUKXSAKSA-N 434.514 2.196 0 40 IEAB CCOc1ccc(CN2CC[C@@H](c3nc4c(c(NC)n3)CCN(C(C)=O)C4)C2)cc1CO 257344980 ZZLFUAIFISVXJW-GOSISDBHSA-N 439.560 2.303 0 40 IEAB COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1NC(=O)c1ccc(C)cc1 408586682 AXNKKOPRZRAKGN-UHFFFAOYSA-N 447.557 2.257 0 40 IEAB O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)c1cccc(-n2cnnn2)c1 575608926 YYMAIPQMXNFJKW-UHFFFAOYSA-N 425.412 2.345 0 40 IEAB CCc1[nH]nc(-c2nc(-c3ccc(C(=O)N4CCN(C)CC4)nc3)no2)c1Br 579940882 SMALREFXFFBARR-UHFFFAOYSA-N 446.309 2.234 0 40 IEAB COC(=O)c1ccsc1N1CC[C@H](NC(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)C1=O 1587732131 KWQFVSGEFSRIJN-HIFRSBDPSA-N 431.445 2.021 0 40 IEAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)Nc2ccccc2F)c1 3509460 RMICRRAFCUYCOF-UHFFFAOYSA-N 449.504 2.472 0 40 IEAB CN1CCN(NC(=O)CN2C(=O)S/C(=C\c3c(Cl)cccc3Cl)C2=O)CC1 6878821 KWCGBXJFGTYYJI-ZROIWOOFSA-N 429.329 2.308 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)ccc1C 7265025 XWWRLAUMGLDZMC-BEFAXECRSA-N 425.576 2.418 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@@H]3c3cccn3C)CC2)cc1 8922834 DEQHPUWMVLKJDK-OAQYLSRUSA-N 430.574 2.004 0 40 IEAB Cc1sc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1-c1ccc(Cl)cc1 9283981 PMMKEYUDDOJNEM-UHFFFAOYSA-N 444.904 2.158 0 40 IEAB O=C(COC(=O)CSc1cccc2cccc(Cl)c12)N[C@H]1CCS(=O)(=O)C1 9691219 ZQJJEEWNLTZHOR-ZDUSSCGKSA-N 427.931 2.432 0 40 IEAB CSc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 10021860 XRCOOSCJTVYJJY-UHFFFAOYSA-N 449.554 2.112 0 40 IEAB COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2ccc(Br)cc2)n2nnnc2N1 10232475 CHFJSSNMYVYANU-AWEZNQCLSA-N 430.218 2.354 0 40 IEAB COc1ccc(-c2nnc3n(Cc4cc(C)ccc4C)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 10965502 CGGVQSJCDNAFJR-UHFFFAOYSA-N 430.468 2.412 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2ccc(NC(=O)c3cccs3)nn2)CC1 11739452 ZSZSBNNJZCRTIX-UHFFFAOYSA-N 435.531 2.183 0 40 IEAB O=c1ccc(-c2ccncc2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 11744897 VXKWJECJUSHCQQ-UHFFFAOYSA-N 440.403 2.182 0 40 IEAB Nn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc(Cc2ccccc2)c1=O 12348375 YERZNVHVBNVCTG-UHFFFAOYSA-N 433.440 2.275 0 40 IEAB O=C(NCCOc1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12811496 PDNQULSEELTQOA-UHFFFAOYSA-N 425.457 2.060 0 40 IEAB CCN(C(=O)COC(=O)/C=C/c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 12816489 VUAYECABXNFFOQ-LQYUOIDQSA-N 430.320 2.041 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](c2ccccc2)C1 13165378 YQHQRPANIRVMCA-OAQYLSRUSA-N 449.598 2.149 0 40 IEAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 14200094 LNSALOQNNOIGAC-UHFFFAOYSA-N 438.465 2.176 0 40 IEAB COc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1S(=O)(=O)NC1CCCC1 14265555 WBPJSROAQCHXRN-UHFFFAOYSA-N 430.486 2.338 0 40 IEAB CC(C)CNC(=O)NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC(F)F)cc2)n1N 14568174 RMEAFQGMMAVTCV-JTQLQIEISA-N 428.465 2.223 0 40 IEAB CCOc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 15333408 RGGJHOAVMKFFET-QFIPXVFZSA-N 425.441 2.262 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)OC)[C@@H]2C1=O 16013069 TZIHBFDCGFSPRF-MTQWCTHYSA-N 432.432 2.162 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 17722460 LXYBOBKEZMQWAX-HXUWFJFHSA-N 446.525 2.130 0 40 IEAB CCS(=O)(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 19520334 GIKCBLXKCKCPIA-SFHVURJKSA-N 436.578 2.112 0 40 IEAB Cc1cccn2c(=O)c3cc(C(=O)NCCN4CCOCC4)n(Cc4ccccc4)c3nc12 20518653 SWTQYMJBQVWFPQ-UHFFFAOYSA-N 445.523 2.068 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4nc(C)cc4C)ncn3)CC2)cc1C 23144500 PJUGNKFMVPKXKH-UHFFFAOYSA-N 442.545 2.107 0 40 IEAB O=C1/C(=C/NCCCN2CCOCC2)c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2 25227708 WRQGPKKVAOMAOW-RCCKNPSSSA-N 449.507 2.251 0 40 IEAB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2 32752728 LLHIKIUARGRDMS-UHFFFAOYSA-N 426.498 2.321 0 40 IEAB O=C(CSc1nnc(-c2ccccc2Br)o1)N[C@@H]1CCCCNC1=O 40127366 UQOIZCWOPDAETN-GFCCVEGCSA-N 425.308 2.376 0 40 IEAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 48366561 WXPMXFUPYZMOPE-PKOBYXMFSA-N 434.479 2.353 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 59291706 GIKVNXQOOQNTRF-SFHVURJKSA-N 433.530 2.107 0 40 IEAB O=C(NC1CC1)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 69946235 UJUFZHIYAQMPLE-UHFFFAOYSA-N 433.574 2.382 0 40 IEAB O=S(=O)(Cc1ccccc1Cl)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70924538 WDWCYOQJCQHLLK-UHFFFAOYSA-N 443.978 2.255 0 40 IEAB Cc1ccc(C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)nc2)c(=O)n1C 72324749 MQQDVHCRFXDLSI-SJORKVTESA-N 431.496 2.126 0 40 IEAB biogenic Cc1nc2cc(C(=O)N3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)ccc2n1C 72338795 FVNHMUSDGRMNIM-NRFANRHFSA-N 439.541 2.464 0 40 IEAB C[C@H](C(=O)Nc1nn(-c2ncccn2)cc1Br)N1C(=O)c2ccccc2C1=O 84001939 OVBDWSFZTXJWOY-SNVBAGLBSA-N 441.245 2.048 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 89791105 IXERNJUYDSSTFF-AWEZNQCLSA-N 436.964 2.210 0 40 IEAB CN1CCN(c2ccc3c(-c4ncc(C(=O)NCC(C)(C)CO)s4)noc3c2)CC1 96266616 FJGQZUNBTCCEJS-UHFFFAOYSA-N 429.546 2.451 0 40 IEAB CCN(CC)C(=O)c1cnc(C)nc1[C@H]1CC[C@H](CNC(=O)CCN2CCOCC2)CC1 100205067 WORIEGXEKVXOGY-BGYRXZFFSA-N 445.608 2.379 0 40 IEAB CCOC(=O)[C@H](Cc1ccccc1)NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100758237 RHXCZTGKYSMARR-FHWLQOOXSA-N 425.554 2.316 0 40 IEAB biogenic CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)O 101409183 CEXBUMZOLVUHHY-CQSZACIVSA-N 440.547 2.429 0 40 IEAB CCN(CC)CCn1c(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nc2ccccc21 102242220 IFRMHLUTEUKYKM-SNHGZMDHSA-N 435.528 2.124 0 40 IEAB CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 106185559 MKYMWSRYJCNVGL-UHFFFAOYSA-N 433.368 2.393 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccc(C)cc2)cc1 113938109 QDKXFWSODLCZNL-UHFFFAOYSA-N 431.558 2.409 0 40 IEAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@H]4CCCC[C@H]43)CC2)Nc2ncccc21 247755352 DDFXEHPUNBXZGB-UQNRQAKVSA-N 425.533 2.127 0 40 IEAB O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CCN(CC4CC4)C[C@@H]13)O2 253403363 PSTFUYYBVXBMHP-ZJOUEHCJSA-N 427.545 2.059 0 40 IEAB C[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 260947539 WGWTUXWSJCLOND-KGLIPLIRSA-N 442.534 2.261 0 40 IEAB CS(=O)(=O)N[C@@H]1CCN(C(=O)NC2CCCC2)C[C@]12CCN(Cc1cccs1)C2 306134574 NSJIFSWPFGDBFM-UYAOXDASSA-N 440.635 2.216 0 40 IEAB CC(C)C[C@@H]1NC(=O)C2(CCCCOC[C@@H](C)NC1=O)CCN(Cc1ncc[nH]1)CC2 643576065 HEGSSUKXHRSIQG-MOPGFXCFSA-N 433.597 2.228 0 40 IEAB C=CC(=O)N1CCC(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)(c2ccccc2)CC1 1540591731 JIWIGEINXOZLIQ-UHFFFAOYSA-N 438.572 2.483 0 40 IEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCC1)n2CCSc1nc2ccccc2s1 1256213 NGSSHQQERRFOLQ-UHFFFAOYSA-N 428.543 2.426 0 40 IEAB COc1cccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)c1OC 1451315 ILRXNOSTMIFZGY-BOPFTXTBSA-N 441.896 2.320 0 40 IEAB COc1ccc2cc(CN(CCCN(C)C)C(=S)NCCCN(C)C)c(=O)[nH]c2c1 4161998 DRBUJWGLPLINQF-UHFFFAOYSA-N 433.622 2.117 0 40 IEAB Cc1ccccc1N(CC(=O)NC[C@H]1CCCO1)C(=O)[C@]1(C)CC(=O)N=C2C=CC=CN21 4388612 CWJPKDMBHZFZRP-KOSHJBKYSA-N 436.512 2.096 0 40 IEAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2OCC)c1=O 8223577 FMGKEIPSVSMIQX-UHFFFAOYSA-N 429.521 2.030 0 40 IEAB COc1cccc(N2C[C@@H](CNC(=O)c3ccccc3S(=O)(=O)C(F)F)OC2=O)c1 9106546 HRWRZNWUMXTKEY-CQSZACIVSA-N 440.424 2.447 0 40 IEAB CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCN(C)c1ccccc1 9220386 YNABSAFCYZUKPW-GOSISDBHSA-N 446.598 2.099 0 40 IEAB O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)Nc1ccc(Br)cc1 9278072 CBMZCZYZTCVVII-UHFFFAOYSA-N 439.273 2.438 0 40 IEAB O=S(=O)(c1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)nc1)N1CCOCC1 9669398 MDXAQUKKOWGHHI-UHFFFAOYSA-N 442.994 2.140 0 40 IEAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccc(F)cc1 9743005 CYKPQGBSNJXWOC-IBGZPJMESA-N 447.532 2.192 0 40 IEAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)n(N)c2=O)cc1 12347890 ASXMHIIXCFJANS-UHFFFAOYSA-N 425.514 2.381 0 40 IEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)n1 16680477 CDMFMTXWWXHAAG-UHFFFAOYSA-N 438.307 2.385 0 40 IEAB CCn1cc(CCC(=O)N2CCC[C@@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)c(C)n1 19524475 XGGHBBPOKYSSLB-QGZVFWFLSA-N 429.546 2.405 0 40 IEAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19528606 AYSKRWHZSUVJGF-RUZDIDTESA-N 445.523 2.433 0 40 IEAB COc1cccc(OC)c1-c1cnc(N(C)C)nc1C1CCN(C(=O)CNC(C)=O)CC1 19695293 ONSFVYKNYPTXPJ-UHFFFAOYSA-N 441.532 2.069 0 40 IEAB Cc1cnc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3CCCCCC3=O)CC2)cn1 19746970 TUIWSXPRMVGHIF-OAQYLSRUSA-N 441.576 2.421 0 40 IEAB COCCNC(=S)N(CCCN1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 19823523 QRPUAPZGQZHJGO-UHFFFAOYSA-N 446.617 2.190 0 40 IEAB CCOc1ccc(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4c3[nH]c3ccc(OC)cc43)c2=O)cc1 20611463 WXZITQLVZMISSE-NRFANRHFSA-N 448.479 2.355 0 40 IEAB biogenic O=C(CN1CCN(Cc2cccs2)CC1)NCc1ccc(CN2CCOCC2)cc1 22781217 CWTQXPJNYQIFFL-UHFFFAOYSA-N 428.602 2.014 0 40 IEAB O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 31242596 PFWDMWWXZHAONJ-NVXWUHKLSA-N 434.489 2.183 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 32945099 OXKOPELFGLGORG-GOSISDBHSA-N 438.480 2.436 0 40 IEAB CC(C)CN1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 33939814 AHMYIHLZXLGTIQ-GBHCNSOCSA-N 443.588 2.301 0 40 IEAB Cc1cc(C(=O)Nc2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)s2)no1 42379179 VPSVSGZAWSWMNF-UHFFFAOYSA-N 433.471 2.224 0 40 IEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)c1 61402321 BRXHPRRDMLLCIT-UHFFFAOYSA-N 431.923 2.180 0 40 IEAB CCn1c(C2CCN(C(=O)c3ccccc3Br)CC2)nn(CCOC)c1=O 77147243 ONJZLUJOQJQREA-UHFFFAOYSA-N 437.338 2.493 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 78878553 HHNCIHAVWPPZGG-GRDNDAEWSA-N 443.541 2.302 0 40 IEAB CN(Cc1cccnc1)C(=O)CNS(=O)(=O)c1cc(Br)c(F)cc1F 97033699 SNZVFCJJMYZMBH-UHFFFAOYSA-N 434.262 2.059 0 40 IEAB COCCNC(=O)CN1CC(O)=C(c2nc(-c3ccc(OC)c(OC)c3)cs2)C1=N 102750215 ZXJBQLJUOKBNOE-UHFFFAOYSA-N 432.502 2.152 0 40 IEAB CC(C)Oc1cccc(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 113958271 BAGOSZZOXVHYRZ-UHFFFAOYSA-N 431.558 2.340 0 40 IEAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCCN3CCCC3)cn12 306141498 VYCOPWQFGWCVQH-NRFANRHFSA-N 439.608 2.032 0 40 IEAB COc1ccc(/C=C/C(=O)NCc2c3c(c(O)c4c2OCO4)C(=O)N(C)CC3)c(OC)c1 604404090 CBXMKBGXRWBZNC-FNORWQNLSA-N 440.452 2.096 0 40 IEAB biogenic Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)c1 640238 APGVUHGIUUARFM-UHFFFAOYSA-N 445.541 2.181 0 40 IEAB CCOc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(C)cc2)c(=O)c2c1cnn2C 8592173 IDHVPNPQEMHRLC-UHFFFAOYSA-N 433.468 2.232 0 40 IEAB O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@@H]1CCCc2ccccc21 8718767 JCSASBLKRSQVDI-HXUWFJFHSA-N 427.526 2.286 0 40 IEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2ccc3c(c2)OCCCO3)C1=O 8849996 MHMUOBWWYXODIT-OAQYLSRUSA-N 427.482 2.438 0 40 IEAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 8936680 HOGXOOWDXAWKEI-UHFFFAOYSA-N 443.525 2.196 0 40 IEAB Cn1ccnc1SCCNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 9202755 NAHJYQHYMYHXOA-UHFFFAOYSA-N 436.584 2.482 0 40 IEAB COc1ccc(OC)c(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1 9421319 FMIHNSIYOGMGEL-UHFFFAOYSA-N 435.415 2.489 0 40 IEAB CN1CC(=O)N(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)C1=O 9515054 JUJUIIAOIMGSJH-IBGZPJMESA-N 433.512 2.376 0 40 IEAB O=C(CCCc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9570027 KPFCKLSUCVWHJT-UHFFFAOYSA-N 433.549 2.417 0 40 IEAB COc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 9807317 UWLOSZICKNTZQK-SFHVURJKSA-N 445.541 2.220 0 40 IEAB COc1ccc(CC(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 9911128 XNFDZNQCKXMZOF-HXUWFJFHSA-N 444.553 2.452 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc3nc(C)cc(C)n3n1)n2CC 9968888 HXBVTHLNLMRQSR-UHFFFAOYSA-N 428.522 2.053 0 40 IEAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(CC(=O)NC(C)(C)C)nc12 12117658 RRBREKNIWJVLLT-HZPDHXFCSA-N 440.548 2.060 0 40 IEAB CN1CCC(N(C)C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 12232871 LMZIGCPOMJFQQA-QGZVFWFLSA-N 438.557 2.172 0 40 IEAB COc1ccccc1[C@@H](C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 13019081 FVBUARQPGWXZDW-QGZVFWFLSA-N 449.548 2.408 0 40 IEAB C[C@@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)OC5C[C@@H]6CC[C@H](C5)N6C)nc4c23)C1 13566312 ACHHTMXMBVPGDS-JKXDFHQYSA-N 441.557 2.399 0 40 IEAB COc1cccc(N2CCN(C(=O)COc3ccc4nc5n(c(=O)c4c3)CCC5)CC2)c1 13689453 KKFFOVNEDZGYIZ-UHFFFAOYSA-N 434.496 2.079 0 40 IEAB CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1 16044447 MEDKQDJZAOQRDR-OAHLLOKOSA-N 446.529 2.232 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)nc2c1CCCN2Cc1ccccn1 19706992 KUGGJPTVCQQTJV-LJQANCHMSA-N 448.571 2.461 0 40 IEAB CCS(=O)(=O)N1CCC(c2ncc(C(=O)NCc3ccccc3OC)c(C)n2)CC1 19766554 DCLFFOOEBPBJRI-UHFFFAOYSA-N 432.546 2.253 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCc1ccc(F)cc1 20023180 JRPNTJVQOPRDNG-UHFFFAOYSA-N 442.896 2.195 0 40 IEAB CCn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCCN2CCOCC2)c2ccccc21 20519264 JMHLXWXVUPDJIA-SILNSSARSA-N 436.512 2.474 0 40 IEAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@](C)(c3ccccc3)C1=O)O[C@H](C)C2 23819940 QJSZTEYUZMWEIV-OYLFLEFRSA-N 437.496 2.492 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)n3)CC2)cc1Cl 35598093 ZTZUDXWRHHXNSX-UHFFFAOYSA-N 448.936 2.144 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)N(C)C2CCCCC2)cc1 39978308 QRJZBLJDJTWQCK-GOEBONIOSA-N 438.546 2.279 0 40 IEAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc[nH]2)cc1S(=O)(=O)N1CCOCC1 40135419 DIUARAUDKCZJNH-IBGZPJMESA-N 432.546 2.120 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(OCc3ccccn3)c2)C[C@H](C)O1 48252677 HZPWYTDQPZIDNJ-IRXDYDNUSA-N 448.545 2.221 0 40 IEAB O=C(NCc1cccnc1N1CCOCC1)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48290472 TVLWRYOIMDOVNG-HXUWFJFHSA-N 440.519 2.155 0 40 IEAB O=C1CN(Cc2ccc3c(c2)OCO3)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 56998236 OLTRHQHJJKWOQE-IRXDYDNUSA-N 434.901 2.083 0 40 IEAB C=C(C(=O)OCC)C1=C(SCNC(=O)C[C@H](NCCCN(C)C)C(=O)O)CCCC1 65090368 GCYBDHBZLYISHM-KRWDZBQOSA-N 441.594 2.125 0 40 IEAB CCN1CCN(Cc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)CC1 71851687 YCKSACSYNHWRQT-ONTIZHBOSA-N 445.633 2.488 0 40 IEAB CC[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1noc(C)n1 72309294 KKNCVBCGZOKGJL-LBPRGKRZSA-N 438.414 2.318 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77158744 SHJSSWLRPMJNEC-UHFFFAOYSA-N 442.523 2.104 0 40 IEAB COC(=O)c1cn([C@H]2CCN(C(=O)Cc3c(C)nn(-c4ccc(F)cc4F)c3C)C2)nn1 95940533 WIVSBTKLXFSMKU-HNNXBMFYSA-N 444.442 2.162 0 40 IEAB CCc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 222420146 XYSMSVIOADMLMX-SFHVURJKSA-N 445.585 2.487 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)cc1F 257211842 CASFEWNWMQKSLU-KRWDZBQOSA-N 430.465 2.220 0 40 IEAB CC(=O)N(C)[C@H]1CC2(CCN(C(=O)COc3ccc4c(c3)CCCC4)CC2)OC[C@]1(C)O 585267275 RDDQCWNCHDTWIM-UPVQGACJSA-N 444.572 2.324 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)cc1 3332395 HLLPCOWMXONWSU-UHFFFAOYSA-N 443.506 2.239 0 40 IEAB COc1ccc(CCn2nnnc2[C@H](CC(C)C)N2CCC(C(N)=O)CC2)cc1OC 4875485 RXUJAKHODNAHJT-SFHVURJKSA-N 430.553 2.218 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCNS(=O)(=O)c1cccs1 9283806 HZUASDDYLUIKPO-UHFFFAOYSA-N 432.907 2.260 0 40 IEAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccc1 9418755 IDKYWFXALSIBBQ-SFHVURJKSA-N 447.532 2.049 0 40 IEAB COC(=O)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 9562787 WWSAVGKEUOYUGO-UHFFFAOYSA-N 435.527 2.303 0 40 IEAB CCn1c(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1C1CC1 9874122 VPLODJIUWVRYMN-UHFFFAOYSA-N 436.559 2.171 0 40 IEAB Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)c2cccc(-n3cnnn3)c2)cc1 9986127 UXMGSNMDPZUAPT-LNVKXUELSA-N 434.481 2.166 0 40 IEAB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1ccc2c(c1)OCCO2 10255268 IXFVGFIVZRMDBE-HNNXBMFYSA-N 443.525 2.413 0 40 IEAB CN(C)[C@@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccc(Cl)cc1 11998208 XZLQMGCWQQNXCM-SFHVURJKSA-N 435.933 2.439 0 40 IEAB COc1ccc2c(c1)CCN(C(=O)CN1CC[C@@]3(CCC1=O)NC(=O)c1ccccc1O3)C2 12085727 OMPOZNCFNFVCDB-VWLOTQADSA-N 449.507 2.111 0 40 IEAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 12122806 AROZOXJSFGSTMN-KRWDZBQOSA-N 430.526 2.324 0 40 IEAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc3ccccc3c1)n2CCN1CCOCC1 12525763 LAPDWSVTYKHMIZ-UHFFFAOYSA-N 433.512 2.449 0 40 IEAB Cc1cc(C)c(OCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(C)c1 12616714 BEHCHXKVJIKULL-UHFFFAOYSA-N 426.542 2.404 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)CC1 12755140 ZIMVGOIWVMDKTK-UHFFFAOYSA-N 440.525 2.456 0 40 IEAB Cc1nn(C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12936571 UPNVMAUKKBPEHW-UHFFFAOYSA-N 442.944 2.295 0 40 IEAB Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 13149455 IJIUDKWAWKOEII-UHFFFAOYSA-N 432.498 2.340 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccco1 17097230 YPKIXYMFDOHMKM-ZWKOTPCHSA-N 430.892 2.461 0 40 IEAB COCCn1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(C(=O)c2ccco2)CC1 19594009 UWSVKCIQDCRCHW-OAQYLSRUSA-N 447.499 2.008 0 40 IEAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[nH]c(=O)c21 22610270 PLCGNNLFYPFBEA-AWEZNQCLSA-N 425.489 2.469 0 40 IEAB COc1ccc(-c2nc(COC(=O)CN3C(=O)c4ccccc4S3(=O)=O)co2)cc1 22848247 HKYOPDOHNBUIHY-UHFFFAOYSA-N 428.422 2.238 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc4ccccc4c(=O)[nH]3)CC2)cc1 25610965 LQVOXNPIBBOIHP-UHFFFAOYSA-N 441.509 2.120 0 40 IEAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2nnc3ccc(C(F)(F)F)cn23)cc1 32837472 RYPKYTBPCOCIKG-UHFFFAOYSA-N 439.419 2.353 0 40 IEAB CC[C@@H](C)[C@@H](NC(=O)c1csc(-c2ccsc2)n1)C(=O)NCCN1CCOCC1 32925714 CFRXXGJIYVFGRL-RHSMWYFYSA-N 436.603 2.465 0 40 IEAB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 40155904 AZODBOVVMZJGOJ-AWEZNQCLSA-N 447.435 2.256 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)ccn1 48313488 UQMIKCOJZOPGDT-UHFFFAOYSA-N 445.570 2.354 0 40 IEAB CS[C@@H](C)C(=O)N1CCC(C(=O)NC2CCC(NC(=O)[C@@H](C)SC)CC2)CC1 72306376 GKJXMGWZGMDAHY-VBJONLRCSA-N 429.652 2.272 0 40 IEAB COc1ccccc1N1CCN(Cc2c(O)occ(CN3CCSCC3)c2=O)CC1 101373989 WUELFHLOYQLTQT-UHFFFAOYSA-N 431.558 2.225 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)cc1 106928151 SFHXBTFGEWTNRY-IRFCIJBXSA-N 430.574 2.264 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1C 223132228 NGTIMJJUENZRFP-UHFFFAOYSA-N 440.543 2.134 0 40 IEAB COC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OC)c(F)c1 225112584 DGTGFOPFOOGOOJ-UHFFFAOYSA-N 425.434 2.298 0 40 IEAB CC(=O)N1CCC(C(=O)N2CCC(COc3ccc(Cl)cc3)(CC(N)=O)CC2)CC1 257323842 WMATWAPKBBOHRK-UHFFFAOYSA-N 435.952 2.462 0 40 IEAB COC(=O)c1ccsc1N1CC[C@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)C1=O 1587732142 KWQFVSGEFSRIJN-ZFWWWQNUSA-N 431.445 2.021 0 40 IEAB COc1cccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2)c1 1619364662 XCMZDHWDMJIHFJ-HOCLYGCPSA-N 439.607 2.286 0 40 IEAB COCCN1C(=O)CC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n2nccc21 1772596206 UZYQZJRXODGQFH-UHFFFAOYSA-N 438.937 2.100 0 40 IEAB COCC(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)n1 1775964193 WDEQJVAVZGLZME-ZDUSSCGKSA-N 428.367 2.095 0 40 IEAB biogenic,in-vitro Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc4c(c3)OCCO4)ccc12 2658980 SDFAFJSDEOEBNC-UHFFFAOYSA-N 425.393 2.433 0 40 IEAB O=C(N[C@]1(C(F)(F)F)C(=O)O[C@H]2CCC[C@H]21)NS(=O)(=O)c1ccccc1Cl 4127203 XBANLHASJIBGNH-YACGNSKGSA-N 426.800 2.355 0 40 IEAB COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3ccc(F)cc3)s2)cc1 8770757 VEKAEOQXSPQWIK-ATJXCDBQSA-N 442.472 2.295 0 40 IEAB O=c1[nH]c(CN2CCN(C(=S)NC[C@@H]3CCCO3)CC2)nc2sc3c(c12)CCCC3 8941016 OAICGUFEVDNTAN-AWEZNQCLSA-N 447.630 2.035 0 40 IEAB COc1ccc(NC(=O)c2ccc(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)cc2)cc1 9467150 VZCWQJAGWQHBCA-SFHVURJKSA-N 431.514 2.005 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 10575505 FGXYURQLJXKNMR-GOSISDBHSA-N 433.505 2.396 0 40 IEAB Cc1ccc(N2C(=O)N([C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)[C@H]2C)cc1 12819914 RCMRPFKXQNQRLF-DLBZAZTESA-N 438.484 2.118 0 40 IEAB COc1cc(CC(=O)N2CC[C@@H](c3cc4nc(C)cc(O)n4n3)C2)cc(OC)c1OC 13225645 RKOHEFFAWUVZPU-OAHLLOKOSA-N 426.473 2.328 0 40 IEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 13278360 KBUCSBLPAOYUON-UHFFFAOYSA-N 433.467 2.381 0 40 IEAB Cc1ccccc1N(CC(=O)NC[C@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 13501939 ALWGWJSTZRJGOH-MRXNPFEDSA-N 430.530 2.499 0 40 IEAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(-n2cnnn2)cc1 13561951 VSIBBTSVYIVLSP-UHFFFAOYSA-N 431.422 2.442 0 40 IEAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 15139952 NOKWHVCIHPORCD-UHFFFAOYSA-N 443.569 2.233 0 40 IEAB Nc1nc(COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)nc(Nc2ccc(F)cc2)n1 16653912 VOFADPNVFNFNAL-UHFFFAOYSA-N 447.430 2.299 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@@H](C(=O)NC(C)C)CN3C)CC2)cc1F 19449758 LCVYUFBTBAOGQV-APWZRJJASA-N 441.569 2.080 0 40 IEAB CCc1nc(C)c(C(=O)N2CCc3c(nc([C@@H]4CCCN(C(C)=O)C4)nc3NC)C2)o1 19708530 WRVQFOGJYGMLHI-OAHLLOKOSA-N 426.521 2.302 0 40 IEAB CCOC(=O)CSCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 21760488 DHWQQIJYJGDGSH-UHFFFAOYSA-N 426.560 2.047 0 40 IEAB O=C(NCCCN1CCN(c2ccccc2)CC1)[C@H]1CC(=O)N(CCc2ccccc2)C1 31241239 CHOJKKKIIXSZIM-QHCPKHFHSA-N 434.584 2.406 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N3CCc4ccccc43)CC2)c1 34872625 XMPJNHSKBVJTKT-KRWDZBQOSA-N 441.553 2.173 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NC[C@@H](c1cccs1)N(C)C 58086267 YDCATVXGFWPDRD-HNNXBMFYSA-N 426.564 2.431 0 40 IEAB COc1ccc(CN2CCC(NC(=O)[C@H](c3ccccc3)n3cnnn3)CC2)cc1OC 79501229 NIWRPWQBTLCEBS-QFIPXVFZSA-N 436.516 2.061 0 40 IEAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCN([C@H]2CCOC2=O)CC1 95435107 FSTKRXOZTNMXOP-YADHBBJMSA-N 435.524 2.444 0 40 IEAB O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)NC1CCN(c2nccs2)CC1 96099801 ITIDDMIHZGWXON-UHFFFAOYSA-N 446.957 2.389 0 40 IEAB Cc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCC2)N(C2CC2)C(=O)[C@H]13 100431426 OYERLAYDOBTEPS-KHMSYKNRSA-N 435.524 2.305 0 40 IEAB COc1cc(NS(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)c(C(C)=O)cc1OC 223308526 FRKNJBLTFFCSDX-UHFFFAOYSA-N 436.486 2.174 0 40 IEAB COc1ccc(S(=O)(=O)NCCSC2CCCC2)cc1C(=O)N1CCOCC1 225568835 BSWFQGIQXVJWRY-UHFFFAOYSA-N 428.576 2.122 0 40 IEAB CS(=O)(=O)N(CCCC(=O)NCCCOC1CCCC1)c1ccc2c(c1)OCCO2 225729120 BSZQJBOOQDVBFM-UHFFFAOYSA-N 440.562 2.470 0 40 IEAB CCSc1nnc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)s1 225759241 JRUNRQZOFAEHPT-LLVKDONJSA-N 434.952 2.469 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3cnc(C(C)C)nc3)CCN2C)cc1C 257236746 HDOWOGXXUXGVPJ-HXUWFJFHSA-N 439.560 2.032 0 40 IEAB Cn1c(=O)n(C)c2cc(NC(=O)CN3C[C@H]4CCC[C@H](Cc5cncnc5)[C@H]4C3)ccc21 257281487 OPKGOJHZUTXGJH-QWFCFKBJSA-N 434.544 2.196 0 40 IEAB O=C(C[C@@]1(COc2ccc(F)cc2)CN(C(=O)c2ncccn2)CCO1)N1CCCCC1 585286453 PAFIZASEBXRVNO-QHCPKHFHSA-N 442.491 2.309 0 40 IEAB Cc1nnc(O)c2c(NC(=O)CN3CCN(C(=O)c4cc5ccccc5[nH]4)CC3)oc(C)c12 585752444 CAOFMJXQDXPGFJ-UHFFFAOYSA-N 448.483 2.423 0 40 IEAB CC(C)c1nccn1Cc1cccc(NC(=O)C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)c1 684317594 MVDDYWCJJCGDJY-IBGZPJMESA-N 435.532 2.232 0 40 IEAB CS(=O)(=O)Nc1cccc2c1CCN(C(=O)N[C@@H]1CCc3ccccc3NC1=O)C2 1230514622 LVXMBROBLCKZOA-LJQANCHMSA-N 428.514 2.079 0 40 IEAB C=CC(=O)Nc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cc1 1532582249 RGGFMNZDAJVPCC-AEFFLSMTSA-N 439.434 2.499 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)NCC(C)C)C(C)C)CC2)cc1 2376688 ORFWBVLGYWZVPY-FQEVSTJZSA-N 437.606 2.309 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)c(C)c1 8726660 DRDRFCIDWOJWRF-UHFFFAOYSA-N 435.590 2.141 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C2=O 8769190 JPICYBHPHWRBAL-UHFFFAOYSA-N 428.411 2.320 0 40 IEAB Nc1c(N(CCC2=CCCCC2)C(=O)c2cnccn2)c(=O)[nH]c(=O)n1Cc1ccccc1 9125963 BURRYNPXAWXMNH-UHFFFAOYSA-N 446.511 2.494 0 40 IEAB CC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Br)cc2)n(C)c1=O 9156920 GPNZGMLXUIDHAX-LLVKDONJSA-N 446.305 2.036 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 9348194 FFMQQYGXFIRNGV-DLLFGIHUSA-N 434.539 2.315 0 40 IEAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 9416460 RQWBQIOKWFEJRK-CYBMUJFWSA-N 427.486 2.256 0 40 IEAB CCOc1ncccc1C(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1ccncc1 9421936 LOHBVYHXNACCHB-UHFFFAOYSA-N 432.546 2.333 0 40 IEAB Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2C[C@H](O)CN1c1ccccc1 9518994 OQUBYEDBIZZTKB-MRXNPFEDSA-N 437.887 2.111 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3nccn3C)cc2=O)cc1 9712943 FJXGKAIQMKYRTI-UHFFFAOYSA-N 449.510 2.135 0 40 IEAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 9993021 FURNLRSBMTXEGD-INIZCTEOSA-N 449.602 2.018 0 40 IEAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 10334757 DDLWBPNNBRYBLC-UHFFFAOYSA-N 444.557 2.074 0 40 IEAB O=C(NCc1ccccn1)[C@@H]1[C@H]2C=C[C@]3(CN(CCc4c[nH]c5ccccc45)C(=O)[C@H]13)O2 12664489 RQLZILOXHMFMSJ-ILSIFQBBSA-N 428.492 2.204 0 40 IEAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)c1 12822347 XTROAMSVHYLTOF-MRXNPFEDSA-N 443.525 2.471 0 40 IEAB CS(=O)(=O)c1cccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)c1 12879701 BECPHIKJKJAGBE-MRXNPFEDSA-N 441.509 2.148 0 40 IEAB O=C(COC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(F)ccc1F 13074721 ILYGPGVUZLRQQC-UHFFFAOYSA-N 432.832 2.469 0 40 IEAB COCCCn1c(=O)c2ccccc2n(CC(=O)NCCc2ccc(Cl)cc2)c1=O 13992304 IDKIZQLIQSUYFE-UHFFFAOYSA-N 429.904 2.212 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 17027864 WDDYSDDYCOLBBE-YDLHNXBPSA-N 437.471 2.293 0 40 IEAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 17635719 AYIOBXOUOSNNPJ-HNNXBMFYSA-N 441.509 2.473 0 40 IEAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1 18227682 TULCPZWXCWEUTO-SFHVURJKSA-N 434.949 2.237 0 40 IEAB COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)cc1OC 19448253 WFVLGALOKATVNI-LJQANCHMSA-N 440.544 2.460 0 40 IEAB CCN1C[C@@H](C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCc4ccccc4C3)CC2)CC1=O 19526867 MHFXKHFTUHVZJD-FQEVSTJZSA-N 449.555 2.183 0 40 IEAB Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)nc2c1CC(=O)N2CCCc1ccccc1 19744575 GZPVYWAQIKFFGK-GOSISDBHSA-N 428.558 2.446 0 40 IEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCN2C(=O)c2cnccn2)cc1 19767105 WRLMBOWRKPMHPS-HXUWFJFHSA-N 432.484 2.491 0 40 IEAB Cc1ccc(C)c(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 22329066 WJIUHBRUPHGTKW-INIZCTEOSA-N 438.571 2.350 0 40 IEAB CCOc1cccc(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 22386047 RBRGFSWSTWKOQQ-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)Nc1ccc(F)cc1 24847099 XMZLPCPFIXGNEC-INIZCTEOSA-N 426.400 2.396 0 40 IEAB CNC(=O)c1ccc(CN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)C2CC2)cc1 26116644 HLXRVPSBUMJWHB-CMJOXMDJSA-N 426.517 2.038 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 30939589 MXKJMQSLKRQLMP-LJQANCHMSA-N 431.514 2.301 0 40 IEAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 32814201 UITDNKJYGLZFDY-LJQANCHMSA-N 447.513 2.088 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 34856317 RLXXBWFRAOCDHO-FQEVSTJZSA-N 429.586 2.439 0 40 IEAB O=C(CN1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1)Nc1ccc(F)cc1 35268865 AYNAYDBTDBSLBP-UHFFFAOYSA-N 448.445 2.007 0 40 IEAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(CCc3ccncc3)CC2)c2ccc(F)cc21 36352986 SNEKWIFLXZASHP-QFIPXVFZSA-N 440.475 2.246 0 40 IEAB Cc1noc([C@H]2CCCN(C(=O)CN3C(=O)COc4cc(Br)ccc43)C2)n1 59586494 ZEYHTWPGCSWYEM-LBPRGKRZSA-N 435.278 2.272 0 40 IEAB COc1cccc(CNC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)c1 67226271 CUDBEPRYSSIZDN-AWEZNQCLSA-N 427.530 2.414 0 40 IEAB CN1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCc2ccccc2C(=O)N3)CC1 72334398 YFEINVYRLISWLN-RPLLCQBOSA-N 446.595 2.398 0 40 IEAB Cc1ccccc1OCCC(=O)N(C)Cc1nc([C@@H]2CC(=O)N(C)C2)cc(N(C)C)n1 72352050 MXJHLHOGMBPSGW-QGZVFWFLSA-N 425.533 2.224 0 40 IEAB CS(=O)(=O)c1ccc2c(c1)N(CC(=O)NCC1(c3ccccc3)CCOCC1)CCO2 89490152 YWLWRHVXIFUCFS-UHFFFAOYSA-N 444.553 2.154 0 40 IEAB Cn1cncc1CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 96011899 RACVHMCOIJUYLW-UHFFFAOYSA-N 444.479 2.199 0 40 IEAB Cc1ccccc1CNC(=O)N1CCC2(CC1)[C@@H]1CN(c3ncccn3)C[C@@H]1C(=O)N2C 96262237 NNBHQBJYRGQFJV-VQTJNVASSA-N 434.544 2.054 0 40 IEAB CC(=O)N1CCC(NC[C@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)CC1 96269411 KQGYBDARLJNYLG-IBGZPJMESA-N 426.517 2.211 0 40 IEAB biogenic,in-vitro COc1cccc(C(=O)NCC(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)c1 101323049 MRFVNPCUNCOEQD-QZTJIDSGSA-N 442.537 2.421 0 40 IEAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 106371762 FFLYOLIJWGCZRT-UHFFFAOYSA-N 432.531 2.249 0 40 IEAB Cc1ccc(C)c(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(=O)(=O)N(C)C)c1 216117984 YWFHGUPKHXTOEC-UHFFFAOYSA-N 444.601 2.261 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1)c1ccc(Br)cc1 223641890 CQKUOEBFGMTFTC-UHFFFAOYSA-N 427.320 2.410 0 40 IEAB Cc1cccc(OCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224112737 DBAQOLVASKVCFZ-INIZCTEOSA-N 434.514 2.116 0 40 IEAB Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)on1 257330949 XQSZATUWWPMBNR-HFMPRLQTSA-N 426.561 2.202 0 40 IEAB CN(C)CCN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 585107022 OJZIKLNMDMVCCO-WIOPSUGQSA-N 439.531 2.153 0 40 IEAB CC(=O)NC1CCN(C[C@@]2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)C2)CC1 585270562 ZRGGBZHMPVVRLB-VWLOTQADSA-N 438.572 2.198 0 40 IEAB C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1141518721 QLSKIRRBPWXJJZ-MOXGXCLJSA-N 442.487 2.196 0 40 IEAB COc1ccc(F)c(CN2CCO[C@]3(CO[C@@H](C(=O)N4CCC(C)(OC)CC4)C3)C2)c1 2056226462 RWMSJKHVKGSHHY-OFNKIYASSA-N 436.524 2.222 0 40 IEAB CCCCn1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C 8582918 ZKDXWZPFWBRLMS-UHFFFAOYSA-N 425.514 2.368 0 40 IEAB COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(Cl)c1Cl 8747939 IFIPSKHMLSKHCH-ZDUSSCGKSA-N 442.251 2.323 0 40 IEAB CCCCn1c(=O)n(CC(=O)N[C@H]2CCCC[C@@H]2C)c(=O)c2c1ncn2Cc1ccco1 8778573 VWAYLIRQNUWTQH-WMZOPIPTSA-N 441.532 2.496 0 40 IEAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N[C@H]1CCS(=O)(=O)C1 8900674 MSYPGFDKTSCLAM-LBPRGKRZSA-N 431.543 2.157 0 40 IEAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1ccc(OC)c(OC)c1 8943422 GTGHGJWTKSJRQP-UHFFFAOYSA-N 446.533 2.054 0 40 IEAB COc1cccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(OC)c2)c1 9126739 HMNJXXRCWHZQDB-UHFFFAOYSA-N 431.452 2.360 0 40 IEAB CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccco1 9186972 AOVCKGOIOGCBLP-QAPCUYQASA-N 441.484 2.209 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 9233825 VARWAVMNTFHJRR-NSHDSACASA-N 438.303 2.088 0 40 IEAB O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCC1)Cc1ccccn1 9302577 OLNVEBYSPJAJTM-UHFFFAOYSA-N 426.926 2.110 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc1 9420488 HPFDDTYWRDTNKH-SFHVURJKSA-N 439.468 2.348 0 40 IEAB COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)N2N=CC=C[C@H]32)c(OC)c1 9427902 VLJMBSPSMGOAFN-WLRLJWMZSA-N 431.448 2.301 0 40 IEAB CN(C)[C@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 9631333 WVFXQMWOXYALOT-JOCHJYFZSA-N 445.585 2.059 0 40 IEAB O=C(O)[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 9723097 BWAQWHHMKQFJJJ-OAHLLOKOSA-N 434.436 2.182 0 40 IEAB Cc1ccccc1Nc1nc(N)nc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)n1 9781472 SJGGSZACSRALPB-QFIPXVFZSA-N 431.456 2.236 0 40 IEAB CSCC[C@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)N1C(=O)c2ccccc2C1=O 9791575 OMJGENZJUPRUFZ-QGZVFWFLSA-N 437.477 2.269 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c(OC)c1 9835825 DWWRNJUUMBJLQP-MSOLQXFVSA-N 443.847 2.289 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 11027663 ZNLUXZRUBBMZGR-UHFFFAOYSA-N 426.546 2.471 0 40 IEAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccccc3C)CC2)c1 11796678 RKTSOGIIAUSLHV-UHFFFAOYSA-N 445.585 2.341 0 40 IEAB O=C1C[C@@H](C2CCN(C(=O)c3cnc(N4CCOCC4)nc3)CC2)Oc2ccc(F)cc21 12154178 VRNQLELTXCBSAH-NRFANRHFSA-N 440.475 2.339 0 40 IEAB CC(C)n1c(=O)n(CC(=O)N2CCCC[C@H]2C)c2c(C(N)=O)nc(-c3cccs3)nc21 12239891 UHDGYYWBJYBNNZ-CYBMUJFWSA-N 442.545 2.402 0 40 IEAB O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12804304 RKGFOZBPXIULBB-HXUWFJFHSA-N 435.496 2.291 0 40 IEAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC(=O)NC1CCCCC1 13004917 BEGDJFPKKZDSLW-UHFFFAOYSA-N 430.288 2.425 0 40 IEAB Cc1ccnc(SCCCn2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 13956896 WXRRXBJAACOTQI-OKILXGFUSA-N 443.577 2.186 0 40 IEAB C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@H]1CCS(=O)(=O)C1 16872463 DMGFIWIZMAQDDB-APPZFPTMSA-N 442.872 2.185 0 40 IEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 18128322 SYDGQILIZDTECC-GVDBMIGSSA-N 427.501 2.099 0 40 IEAB C[C@@H](C(=O)N[C@H](C)CCc1ccco1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 19455829 IIZWWZFAVZCAPH-VBURHUQHSA-N 439.516 2.065 0 40 IEAB COCC(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C2CCCCC2)CC4)CC1 19592742 MFLUJLFNMWMOLF-UHFFFAOYSA-N 427.549 2.478 0 40 IEAB CN(C)c1ncc(CN2CCO[C@@H](c3c(C(=O)NCCO)sc4ccccc34)C2)cn1 19696932 PXMUXMJDTNDSHX-QGZVFWFLSA-N 441.557 2.053 0 40 IEAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21 20214968 GRAJYOLIAXXEOP-UHFFFAOYSA-N 432.521 2.493 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCCO)cc1Cl 22269346 KREIYWONOUSDMA-SFHVURJKSA-N 440.949 2.127 0 40 IEAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 24040238 JKNPXRIBOJXZHB-UHFFFAOYSA-N 438.889 2.400 0 40 IEAB COc1cc(OC)cc([C@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)c2nccn2C)c1 29130321 DSJIYGVAERPRGE-NRFANRHFSA-N 433.468 2.122 0 40 IEAB CN(C)C(=O)[C@@H]1CN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)c2ccccc2O1 32810555 SARYBFSCNSDTEQ-KRWDZBQOSA-N 440.481 2.413 0 40 IEAB CSCC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1C(=O)c2ccccc2C1=O 32995892 VESRQGHTXWZOLC-WMLDXEAASA-N 426.494 2.361 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O 40288410 ZRYBJPGDFXQWQZ-UHFFFAOYSA-N 426.429 2.019 0 40 IEAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2N)cc1 67336313 LCLGFJXUFRZDIG-UHFFFAOYSA-N 425.514 2.227 0 40 IEAB CNc1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3OC)C2)nc(CN(C)C(C)=O)n1 72370154 DYSWDLGCNHDWET-INIZCTEOSA-N 447.561 2.074 0 40 IEAB Cc1ccc(-n2cc(S(=O)(=O)NCC(C)C)cn2)cc1S(=O)(=O)NCC(C)C 84190087 ISEVHRJAVHOUMG-UHFFFAOYSA-N 428.580 2.049 0 40 IEAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cn3cccnc3n2)CC1 84614961 XHKGSVRIOKZCCR-UHFFFAOYSA-N 425.436 2.255 0 40 IEAB COc1ccc(S(=O)(=O)N2CC(Nc3ccc4nnc(-c5ccccc5)n4n3)C2)cc1 95443224 OXJOTDIDJYJLCF-UHFFFAOYSA-N 436.497 2.285 0 40 IEAB CCN1C[C@H]2C3(CCN(C(=O)NCc4cccc(OC)c4)CC3)CC[C@@]2(C(=O)NC)C1 96143871 QEDMUGNOPMFVOH-GBXCKJPGSA-N 428.577 2.465 0 40 IEAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)Nc1ccccc1 101174245 XZDGVDMXIMBFSD-HZPDHXFCSA-N 428.246 2.381 0 40 IEAB Cc1cc(N(CC(=O)Nc2ccccc2C(N)=O)S(C)(=O)=O)ccc1Br 113935443 WYXMANCICXZSJS-UHFFFAOYSA-N 440.319 2.261 0 40 IEAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223492762 DXTNFCCBSMRODH-OAQYLSRUSA-N 445.585 2.211 0 40 IEAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(F)c2)cc1 225100691 KVQZKXXKUSTACM-UHFFFAOYSA-N 425.434 2.379 0 40 IEAB C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225274777 PAMFBEXFECCRKU-GXTWGEPZSA-N 426.441 2.076 0 40 IEAB C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)[C@H]4CCCO4)CC3)n2)C1 253603821 MYZWTFPSFYSSEY-NVXWUHKLSA-N 436.578 2.001 0 40 IEAB CN1CCN([C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(=O)O)CC[C@@H]2O)CC1 257201960 AJUUNWUUDNHIFS-SFTDATJTSA-N 433.593 2.020 0 40 IEAB Cc1nn2c([C@H]3CN(C(=O)C4CCCC4)CCO3)ccnc2c1CN1CCC(O)CC1 257305435 SPYZOYVOKCETCU-OAQYLSRUSA-N 427.549 2.085 0 40 IEAB O=C(c1cccnc1)N1CCC2(CC1)COc1ncccc1S(=O)(=O)N(CC1CC1)C2 306140275 UOQNUUOKFXDGOB-UHFFFAOYSA-N 442.541 2.192 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C(C)C)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 504574943 IQCOJZDMHYTKKF-AZXNSQLWSA-N 433.464 2.193 0 40 IEAB biogenic O=C(CN1C(=O)CC[C@]12CCCN(c1cc(C(F)(F)F)ncn1)CC2)N1CCCC1 585100870 ZTSZHNGVWCIQLR-IBGZPJMESA-N 425.455 2.469 0 40 IEAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)C4(C(F)(F)F)CC4)C[C@@H]23)n1 1549162450 QHOUUVPLZLNWKG-CQSZACIVSA-N 439.438 2.130 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCC(C)CC1 2633102 XZDLXVSQELASAK-MRXNPFEDSA-N 428.576 2.116 0 40 IEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)n1 6156083 SKPKBMGEDUGATK-GOSISDBHSA-N 426.454 2.364 0 40 IEAB COc1ccc(OC)c(N(CC(=O)N[C@@H]2CCCC[C@@H]2O)S(=O)(=O)c2ccccc2)c1 6924477 VKBYMAUYWIQTJK-QUCCMNQESA-N 448.541 2.319 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)[C@H]1COc2ccccc2O1 7645349 XBVBXQRGXCNDBA-JOCHJYFZSA-N 425.485 2.138 0 40 IEAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 8696073 MNTYKPBUPXBQBR-HNNXBMFYSA-N 444.575 2.152 0 40 IEAB Cc1ccc(Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 8775109 PHPSDGMDNADDCO-UHFFFAOYSA-N 444.539 2.117 0 40 IEAB O=C1NC(=O)c2cc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)ccc21 9069159 MCYCVEKQBAAZQF-INIZCTEOSA-N 433.873 2.015 0 40 IEAB O=C(CSc1nnc(C2CC2)o1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9512352 KHGJNYTXJGJTPU-MDWZMJQESA-N 434.543 2.184 0 40 IEAB Cc1ccc(CNC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 9742855 MKPCUCZPKVUXGZ-HXUWFJFHSA-N 443.569 2.361 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)cc1 10187802 VLTXJHWABNYXIX-UHFFFAOYSA-N 443.456 2.113 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@H](c3ccc4c(c3)OCO4)N(C)C)ccc21 12196881 SVXVQOOKQKKIMT-HXUWFJFHSA-N 445.541 2.296 0 40 IEAB NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)CCNC(=O)c2cccnc2)C1 12255700 IQBSXAJYFAJSGN-GOSISDBHSA-N 431.496 2.255 0 40 IEAB O=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1cc(-c2ccccc2)[nH]n1 12548034 JJXDQDOOWTWHID-UHFFFAOYSA-N 440.525 2.169 0 40 IEAB Cc1nn(Cc2cc(=O)n3ccsc3n2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 14184923 GINJKVWASXNYRC-UHFFFAOYSA-N 433.515 2.031 0 40 IEAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)cc1 19695312 QWXYEOCRYWOSQM-SFHVURJKSA-N 437.544 2.403 0 40 IEAB CC(=O)NCc1ccc([C@H]2CN(C(=O)CCN(C)c3cccc(C)c3)C[C@@H]2C(N)=O)cc1 19698702 YFMUBBMRJLGJAO-PKTZIBPZSA-N 436.556 2.185 0 40 IEAB Cc1nc(C)c(C(=O)N2CCO[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)s1 19702964 PDBONBATROGBAQ-CQSZACIVSA-N 446.554 2.305 0 40 IEAB CC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)C 20889934 CRRSHTGZPSMBNI-UHFFFAOYSA-N 425.334 2.460 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)c2cc(F)ccc2OC)cc1 22228048 OVYDDWFSPSAQMW-UHFFFAOYSA-N 444.550 2.386 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1OC 23117927 SBZXCBFWZLHVPQ-UHFFFAOYSA-N 448.497 2.472 0 40 IEAB COCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 23889197 ASAGAPZJQZGNFD-UHFFFAOYSA-N 445.541 2.102 0 40 IEAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 24985584 WEVCZSZWZIICBR-DZGCQCFKSA-N 432.420 2.406 0 40 IEAB O=C(C[C@@H]1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1cccc(F)c1 30937556 UOVBYZJXVRZDSK-HXUWFJFHSA-N 437.475 2.424 0 40 IEAB Cc1ccccc1CCNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326345 HPANBDQIBCPLPP-XDHUDOTRSA-N 435.528 2.002 0 40 IEAB CCOC(=O)c1sc(NC(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)nc1C 79477433 PUSLKWGZNIJGPT-GFCCVEGCSA-N 426.520 2.053 0 40 IEAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 95385661 IFUJJQGQANTTID-ICSRJNTNSA-N 427.570 2.485 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NCc3nc4ccccc4[nH]3)C2=O)cc1 96231431 LDNFEPPUJIHRTR-IBGZPJMESA-N 435.484 2.131 0 40 IEAB O=C(Cc1cccnc1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1cccnc1 96261929 XKMCCQVYEAOCKE-HSZRJFAPSA-N 434.521 2.351 0 40 IEAB Cc1c(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cccc1N(C)S(C)(=O)=O 222434751 SRPSBTKAUZSABU-UHFFFAOYSA-N 431.514 2.116 0 40 IEAB COC(=O)CSc1nnc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)s1 225849931 UIQIAPCEVCTXSO-UHFFFAOYSA-N 437.908 2.044 0 40 IEAB CCS(=O)(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCCc2ccccc2)C(=O)C3)C1 257307783 TUCLGFWYGUPRHX-SFHVURJKSA-N 428.558 2.446 0 40 IEAB CCc1nccn1CCC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](NC(C)=O)CC1 257312478 UODGBTPPPXFBIZ-HFMPRLQTSA-N 426.561 2.329 0 40 IEAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(C(=O)c3ccc(C)o3)CC2)C1 306134902 OBCWUJCWUHKVAB-UHFFFAOYSA-N 436.472 2.455 0 40 IEAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCC(n2cnc3ncccc3c2=O)CC1 575614940 AJFWKISPENOFNC-UHFFFAOYSA-N 448.451 2.265 0 40 IEAB O=C(NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21)N1CCN(c2ccncc2)CC1 585112121 LROJDCNSRLBHHM-QFIPXVFZSA-N 432.528 2.472 0 40 IEAB CC(=O)N1CCC(CC(=O)NCCn2nc(C)cc2C)(N2Cc3ccccc3C2=O)CC1 1548348458 MEHIPZIMLYIHLB-UHFFFAOYSA-N 437.544 2.043 0 40 IEAB CN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O 2037884083 VAAGAEDJLLPDBA-WOIUINJBSA-N 434.968 2.232 0 40 IEAB O=C(NCC1CC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)Cc2noc3ccccc23)C1 2055785129 JXXIHOMLVVHMIR-XMMPIXPASA-N 448.527 2.357 0 40 IEAB Cc1onc(C(=O)N2CCCC2)c1C(=O)Nc1ccc(I)cn1 1398339 SHFOSOZHUQJPHX-UHFFFAOYSA-N 426.214 2.471 0 40 IEAB CC(C)CNC(=O)COC(=O)c1ccc(Cl)cc1NC(=O)CSc1nncn1C 3337786 XLBWRUNBUMWZBH-UHFFFAOYSA-N 439.925 2.128 0 40 IEAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CCOC)CCCC3 3521970 JTRNNDBTHHTBOP-NSHDSACASA-N 438.575 2.310 0 40 IEAB CCC[C@]1(c2ccccc2)NC(=O)N(CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 8943076 YKVOVMUQPPFGPI-OAQYLSRUSA-N 427.482 2.079 0 40 IEAB O=C(O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21 9044435 VXFKEANCXNFNSU-PKOBYXMFSA-N 436.468 2.491 0 40 IEAB biogenic Cn1c(=O)c2c(nc3n(-c4ccc5c(c4)OCO5)c(-c4ccc(F)cc4)cn23)n(C)c1=O 9192272 FYJVYVSLOMXCAH-UHFFFAOYSA-N 433.399 2.210 0 40 IEAB O=C(COC(=O)c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)NC1CC1 9490961 QKTZZBIOKSAEID-UHFFFAOYSA-N 425.460 2.224 0 40 IEAB Cc1cccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 9507319 FRYMVJDQFTWSRR-SFHVURJKSA-N 446.525 2.257 0 40 IEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)C2=O 9913124 AGZSJBLZOHTGLB-WAIKUNEKSA-N 426.517 2.364 0 40 IEAB NC(=O)c1nc(-c2cc(Br)ccc2O)nc2c1[nH]c(=O)n2-c1ccccc1F 10187991 SJTUTSUJWTXJTC-UHFFFAOYSA-N 444.220 2.482 0 40 IEAB COc1cc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccccc3)o2)cc(OC)c1OC 10691791 GQQXJDLIFFEQTI-UHFFFAOYSA-N 447.469 2.364 0 40 IEAB CCCn1nc(C)c(C(=O)N2CCC[C@@H]([C@H]3Nc4ccccc4S(=O)(=O)N3)C2)c1C 12232980 YVNHCOIEIBVEPK-UZLBHIALSA-N 431.562 2.492 0 40 IEAB O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCN(c2ccc(F)cc2)CC1 12557374 JVSVXYXRUXXBMM-HXUWFJFHSA-N 447.532 2.245 0 40 IEAB COc1ccc(-c2nc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)sc2C)cc1 12779312 GMJOFXUIJQBLHZ-UHFFFAOYSA-N 437.481 2.325 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)COc1ccc2c(c1)CCC(=O)N2 12983640 ORAYKJMUNPKDIO-UHFFFAOYSA-N 445.541 2.094 0 40 IEAB O=C(NCC(=O)N1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13692238 KEPNGYBWZDEPLW-UHFFFAOYSA-N 441.981 2.260 0 40 IEAB COC(=O)c1ccc(CSc2nnc(NC(=O)[C@H]3CCCN(C(N)=O)C3)s2)cc1 14120303 FXNBJUVKQFOJSD-ZDUSSCGKSA-N 435.531 2.346 0 40 IEAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(S(N)(=O)=O)cc1 14795711 PJOXZYUGKCRKJD-JNCPLXCYSA-N 447.601 2.307 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2nn(-c3ccccc3)c(=O)cc2OC)c1 15881258 ZLFMBEZQXVADQH-UHFFFAOYSA-N 437.408 2.067 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)cc1 15894317 ZXPRRSWBQCPNJX-HXKBJWFLSA-N 434.492 2.349 0 40 IEAB biogenic COc1ccc(-c2nc3n(n2)[C@@H](c2ccc4c(c2)OCO4)C(C(N)=O)=C(C)N3)cc1OC 17243500 RLCFSLJEBJNEJG-IBGZPJMESA-N 435.440 2.465 0 40 IEAB O=C(CN1CCC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CCN(C2CCCC2)CC1 19291999 ZFLXGJXZQQCYPA-HXUWFJFHSA-N 441.620 2.236 0 40 IEAB Cc1n[nH]cc1C(=O)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702929 CGPPXWYCNBLNGX-INIZCTEOSA-N 441.513 2.014 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(CN(C)C)cc(N(C)C)n3)C2)cc1 19709634 RLTMKXBTOKOJNI-INIZCTEOSA-N 433.578 2.181 0 40 IEAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1csc(N2CCCC2=O)n1 24945413 DCWLZOXHIJNPSB-UHFFFAOYSA-N 425.514 2.486 0 40 IEAB CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 26110223 SOCRZORZMRISJF-HNNXBMFYSA-N 434.389 2.309 0 40 IEAB O=C(COc1ccc(F)cc1Br)N1CCC(C(=O)N2CCOCC2)CC1 31279731 PGMRWTAIPHXVFX-UHFFFAOYSA-N 429.286 2.064 0 40 IEAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1[nH]c(C)c(C(=O)OC)c1C 40160370 MTTACUNNSCBRSE-UHFFFAOYSA-N 442.516 2.356 0 40 IEAB CCc1cccc(C)c1NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520581 UALAIURGGIKTFY-UHFFFAOYSA-N 427.530 2.266 0 40 IEAB C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326302 MSGKXUZRLGVXRO-RCDICMHDSA-N 441.919 2.304 0 40 IEAB C[C@H](C(=O)NCCC1=CCCCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326318 SJNQLOZVUYLZDF-WAIKUNEKSA-N 425.533 2.341 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1C 95447937 KSJOMWHLDHNJFY-UHFFFAOYSA-N 440.528 2.457 0 40 IEAB CC(C)[C@H](NC(=O)C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1)c1nnc2n1CCC2 95960531 RBAKEKQHBJIWQN-KRWDZBQOSA-N 434.504 2.339 0 40 IEAB COC(=O)c1cc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)ccc1OC 95977815 ZVLQPGHGZAULCT-UHFFFAOYSA-N 433.891 2.340 0 40 IEAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4cnccn4)CC3)c3ccccc32)CC1 96052953 WTRKDCDMPJKXRO-LJQANCHMSA-N 433.556 2.302 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2cccc(OC)c2)c(Cl)c1 222836637 LALGXSAHNZTBEI-UHFFFAOYSA-N 442.921 2.315 0 40 IEAB Cc1cc(C)cc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 224098223 BMJVMRNFYXBVHM-UHFFFAOYSA-N 432.542 2.274 0 40 IEAB COc1ccc2c(c1)CN(C(=O)C[C@H]1CCS(=O)(=O)C1)C[C@@]1(CCCN(C)CC1)O2 248086663 SBAUAEZAAWZJLS-VGSWGCGISA-N 436.574 2.096 0 40 IEAB Cc1nccc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)n1 257294086 QSJDDLFKZPIEMG-LSQMVHIFSA-N 438.572 2.213 0 40 IEAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 260790374 AHUXRJDKOKYHSS-CABCVRRESA-N 434.514 2.498 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1 408657862 PNPUXXFDAYIYHV-CQSZACIVSA-N 445.859 2.024 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(OC)cc1OC)c1ccc2c(c1)OCCO2 408706288 ZHVAZTNVOCUWLN-UHFFFAOYSA-N 436.486 2.270 0 40 IEAB COc1cccc(C2(NC(=O)[C@@H]3CN(Cc4nc(O)c5ccccc5n4)CCO3)CC2)c1 553234618 BFHGDGZCFGPMMC-FQEVSTJZSA-N 434.496 2.350 0 40 IEAB COC(=O)C[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H]2CCOC2)CCO1 559181503 WXHYXOMCLXPNDW-IAGOWNOFSA-N 439.516 2.242 0 40 IEAB COCCn1nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)n(C2CC2)c1=O 585233864 RPXWGWMEWNBSBC-KRWDZBQOSA-N 434.562 2.211 0 40 IEAB C[C@@]1(c2ccc(C(=O)N[C@@H]3CCc4nc(-c5ccccc5)ncc4C3)cc2)NC(=O)NC1=O 673963012 APRKKDXYBIZCIZ-CLOONOSVSA-N 441.491 2.486 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)cc1 9412654 PNCVGOFQHNVUHN-UHFFFAOYSA-N 446.467 2.160 0 40 IEAB O=C(COC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)s1 9439935 PSSHSUKWERAELN-WCQYABFASA-N 447.893 2.091 0 40 IEAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(C(=O)Cn4cncn4)CC3)C1)c1cccn1-2 12086246 NMIFLQPNTJCCLE-QHCPKHFHSA-N 434.500 2.180 0 40 IEAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 12142000 LBKUTQRXSSSQQA-OAHLLOKOSA-N 429.498 2.343 0 40 IEAB Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 12792211 PFYBVLQPOVDKOA-WCQYABFASA-N 444.575 2.198 0 40 IEAB CCN(CC(=O)NCc1cccs1)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 13019477 JGJZNKJHOHWOSK-HNNXBMFYSA-N 445.541 2.283 0 40 IEAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@@H](C)N2CCCC2=O)C1 19077523 UYJFDUHUEZQDDB-CJAUYULYSA-N 434.540 2.267 0 40 IEAB O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)C1 19339403 YNTTUJVPVYUMPP-QGZVFWFLSA-N 435.553 2.343 0 40 IEAB COc1nc(C)c(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@@]3(CCCC(=O)N3)C2)c(OC)n1 19579453 CLDONNHEJTYVDS-FDDCHVKYSA-N 442.491 2.149 0 40 IEAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2C(=O)CNC(C)=O)nc1C 19753482 WDMPWVWFVNDEHZ-GOSISDBHSA-N 425.489 2.236 0 40 IEAB Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(CC(=O)N3CCCCC3)CC2)n1 19756304 LCJBHNVNSRFRAI-UHFFFAOYSA-N 438.576 2.012 0 40 IEAB COCCn1nc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1=O 21004395 ZVXLRRAKDYITDG-UHFFFAOYSA-N 432.524 2.437 0 40 IEAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCC[C@H](C(F)(F)F)C1 22382526 SEBJQOACUYWDGT-DZGCQCFKSA-N 448.463 2.412 0 40 IEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(Cc3ccsc3)CC2)C1=O 23257554 VSJFHWUISPJZBQ-OAQYLSRUSA-N 428.514 2.019 0 40 IEAB CN1CCN(c2ccc(CNC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cn2)CC1 23318001 HJGFDKRPAGEONC-UHFFFAOYSA-N 439.535 2.141 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)C1=Cc2cc(Cl)ccc2OC1 24840627 OYCRUDIUIJUTDZ-UHFFFAOYSA-N 448.928 2.453 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 32095514 USIWNDXCNMTDHM-OAHLLOKOSA-N 449.916 2.152 0 40 IEAB COc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1N1CCCCS1(=O)=O 36354437 KKTQBIQHDMOBPL-HNNXBMFYSA-N 431.514 2.441 0 40 IEAB CNC(=O)CSc1cnn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1Cl 49401122 UTFQKWMOPRIYGV-UHFFFAOYSA-N 434.827 2.392 0 40 IEAB COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cn(CC(=O)N(C)C)nn2)cc1OC 70015465 GHKWNXGACIXKMM-KRWDZBQOSA-N 429.521 2.011 0 40 IEAB Cc1ccc(NC(=O)CN2CC[C@H]2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 72311985 WWEKGNCNCJCKJB-NRFANRHFSA-N 443.569 2.271 0 40 IEAB Cc1ccc2c(c1)oc(=O)n2CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 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COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 20014261 RJMVWEBUKZWTOW-UHFFFAOYSA-N 426.922 2.435 0 40 IEAB CCOC(=O)C1=C(C)[C@H]2C(=O)NC(CN3CCc4cc(OC)c(OC)cc4C3)=N[C@@H]2S1 20548922 DFCGTMVAIPVROJ-GHTZIAJQSA-N 445.541 2.116 0 40 IEAB CCCCn1c(SCC(=O)NC(N)=O)nc2cc(S(=O)(=O)N(CC)CC)ccc21 20853364 ZOIGZTCELFRQSZ-UHFFFAOYSA-N 441.579 2.154 0 40 IEAB COc1ccc(CCNC(=O)Cn2ncn3nc(-c4ccc(C)cc4)cc3c2=O)cc1OC 21024716 SZQCOBAYNDRCCT-UHFFFAOYSA-N 447.495 2.243 0 40 IEAB COc1ccc(CCNC(=O)N2CCN(Cc3nnnn3-c3ccc(C)cc3)CC2)cc1 21151000 KQJZGTYWPRKMKR-UHFFFAOYSA-N 435.532 2.049 0 40 IEAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1 22610141 RMPXLPYCOCXPJZ-INIZCTEOSA-N 425.489 2.469 0 40 IEAB O=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1ccc(Cl)cc1C(F)(F)F 23668801 UMIZZEDPAVEJQC-UHFFFAOYSA-N 434.846 2.367 0 40 IEAB O=C(CN1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)CC1)NC1CC1 35325202 MEPPHSJOWKAVIS-UHFFFAOYSA-N 444.539 2.030 0 40 IEAB Cn1cnc2c(=O)oc3ccc(S(=O)(=O)N4CCN(C5CCCCC5)CC4)cc3c21 36075311 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CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225208180 YMGAMFCNANMVEG-GOSISDBHSA-N 431.558 2.251 0 40 IEAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 253487901 SXAWMYQDSKGJHW-BURNTYAHSA-N 447.422 2.348 0 40 IEAB CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(C(=O)CCn2cnc3ccccc32)[C@H]1c1ccccc1 257243738 IIIQEDOCLIWKBR-SSPYTLHUSA-N 447.539 2.362 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1 408607018 PRVNQMIGYAMKHO-UHFFFAOYSA-N 428.894 2.291 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2ccc(C)cc2C)cc1 408627523 NLWZBYVWQHHQBS-UHFFFAOYSA-N 445.585 2.256 0 40 IEAB CS(=O)(=O)N(CCCC(=O)NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 408702288 ARVUHOVJWXRILH-UHFFFAOYSA-N 434.470 2.007 0 40 IEAB NC(=O)COc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)cc1 1775979085 ZJJSHLXFSVJDKH-SFHVURJKSA-N 432.523 2.291 0 40 IEAB NC(=O)CSC1=N[C@@H](c2ccccc2)N2C(SCC(N)=O)=N[C@@H](c3ccccc3)N12 2281011 RHLBEVRDYXTMPH-QZTJIDSGSA-N 440.554 2.079 0 40 IEAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1 9435841 KJZXTNVIPGQDDJ-UHFFFAOYSA-N 433.505 2.371 0 40 IEAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2CC(=O)NC[C@@H]2CCCO2)cc1 9609015 SWALXNZSLAQBHE-RXVVDRJESA-N 436.512 2.446 0 40 IEAB O=C1N[C@]2(COC3(CCN(C(=O)CCn4cccn4)CC3)C2)Nc2ccc(Cl)cc21 12085545 UNCWFKWZMSRHTC-OAQYLSRUSA-N 429.908 2.260 0 40 IEAB O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 12139979 FPDKDJJUXIGVGM-UHFFFAOYSA-N 427.482 2.387 0 40 IEAB O=C(CN1CCN(C(=O)CSc2nccn2-c2cccc(Cl)c2)CC1)NC1CC1 12559732 YHCVUQADXUOSGZ-UHFFFAOYSA-N 433.965 2.041 0 40 IEAB CCc1nnc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)s1 13956223 BDYJQJVEJOXBPI-JTQLQIEISA-N 449.537 2.417 0 40 IEAB CN(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)Cc1cnn(-c2ccccc2)c1 14083554 DTYLNKLTIBXWLQ-UHFFFAOYSA-N 447.539 2.377 0 40 IEAB CCCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1OC 14291960 MPECAJWOBZCKQC-UHFFFAOYSA-N 435.521 2.485 0 40 IEAB COc1ccc(CNC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1OC 15858610 BSNPNBGVEZMYEF-UHFFFAOYSA-N 432.498 2.336 0 40 IEAB CC(C)NC(=O)[C@H]1CN(Cc2ccc(F)c(F)c2)C[C@@H]1c1ccnc(N2CCOCC2)n1 19450166 IWTWWDVZOFRKFN-ROUUACIJSA-N 445.514 2.332 0 40 IEAB Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCN(C(=O)CN(C)C)C4)nc32)c1 19696207 CUXVYQMZZIXDEW-HXUWFJFHSA-N 435.572 2.493 0 40 IEAB Cc1nc([C@H]2CCCN2CC(=O)NCC2(N(C)C)CCCCC2)nc2c1CCC(=O)N2C 19741929 NLVYZKYVZHIMMG-LJQANCHMSA-N 442.608 2.212 0 40 IEAB Cc1ncsc1C(=O)NCC1CCC(c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 19743028 GKCQAQSPRIIUQD-UHFFFAOYSA-N 427.530 2.101 0 40 IEAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)c2cnccn2)CC1 19756933 ZGQZSTKVUAVHPI-UHFFFAOYSA-N 448.527 2.244 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)c4cnccn4)C3)nc2C)c1 19757836 XPOSUHALOCLBFR-QGZVFWFLSA-N 432.484 2.143 0 40 IEAB COc1ccc(COC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 22094910 XSTZOZQZBFLHJD-FQEVSTJZSA-N 444.528 2.128 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22228054 AXGXQTZCGWHNTN-UHFFFAOYSA-N 430.523 2.042 0 40 IEAB COc1ccc(C(=O)CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 22996782 DFABNGBLNZMOES-UHFFFAOYSA-N 445.541 2.245 0 40 IEAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(Br)c1 24985613 VXHXODQIUSLQKD-UKRRQHHQSA-N 443.319 2.150 0 40 IEAB Cn1c(=O)c2cc(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)cnc2n(C)c1=O 29280527 GUKLYMBVFDBUPE-LJQANCHMSA-N 432.505 2.482 0 40 IEAB Cc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 31773749 WCDKEELIJHNYPE-ZWKOTPCHSA-N 448.928 2.392 0 40 IEAB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 32295623 SDIBZALKNTUKIC-CYBMUJFWSA-N 446.349 2.264 0 40 IEAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 32882069 VVNBIPOCPFIYFN-RDTXWAMCSA-N 433.892 2.110 0 40 IEAB O=C1c2ccccc2C(=O)N1CCCn1ncc(Br)c(Br)c1=O 32899337 FLJRKDIXRPPKJS-UHFFFAOYSA-N 441.079 2.455 0 40 IEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1 40145066 IHBRMKMLLMVGOY-UHFFFAOYSA-N 429.901 2.294 0 40 IEAB Cc1cccc(NC(=O)CN2CCN([C@H](C)C(=O)Nc3sccc3C(N)=O)CC2)c1C 45511195 BHVLJGFMMIOKKA-MRXNPFEDSA-N 443.573 2.047 0 40 IEAB O=C(NCc1cccnc1-n1cccn1)c1sccc1S(=O)(=O)N1CCCCC1 48249288 IYJSYZOPRTWABN-UHFFFAOYSA-N 431.543 2.433 0 40 IEAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N(CC(=O)N3CCOCC3)C(=O)N1CC2 72342030 UZIVLQASZJFIKT-QHCPKHFHSA-N 437.496 2.450 0 40 IEAB COC(=O)C1CCN(CCCNS(=O)(=O)c2ccc(Cl)c3ncccc23)CC1 95954651 PXGDQXAFRSUMHJ-UHFFFAOYSA-N 425.938 2.442 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)NCCc1csc2nc(-c3ccccc3F)nn12 96098339 XIDDVTVQNXHANV-UHFFFAOYSA-N 434.522 2.468 0 40 IEAB CN(c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1)S(C)(=O)=O 222514985 MKJHIZYXIROLNJ-UHFFFAOYSA-N 445.950 2.384 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(C)(=O)=O 222980454 HSOHORMUHNIFRC-HXUWFJFHSA-N 431.558 2.314 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccccc3C)no2)cc1 225691167 ZANMFQKJOMEOKX-UHFFFAOYSA-N 444.513 2.333 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 225773289 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IEAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 8726312 QMSFAKRBVUSPAO-OAHLLOKOSA-N 427.505 2.443 0 40 IEAB CC(C)CCn1c(N2CCN(CCCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 8744097 KOTUHKFAVIXETG-UHFFFAOYSA-N 438.576 2.224 0 40 IEAB Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(=O)n(-c2ccccc2)n1C 8882428 VHNRNUYMHGSPJQ-INIZCTEOSA-N 448.479 2.247 0 40 IEAB C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)o1 8901005 WWRYNCGBVUMOKL-VIFPVBQESA-N 447.448 2.091 0 40 IEAB COc1ccc(/C=C(/C(=O)N2CCOCC2)n2cc(Br)ccc2=O)cc1OC 9137105 IQKCQMRAYLWPFS-WJDWOHSUSA-N 449.301 2.485 0 40 IEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C[C@@H]1Oc2ccccc2NC1=O 9223211 YNCAFFFKKGMPCW-IBGZPJMESA-N 425.441 2.035 0 40 IEAB COc1ccc(CC(=O)Nc2cccc3cccnc23)cc1S(=O)(=O)N1CCOCC1 9254407 IPPYUOFIIUPHGC-UHFFFAOYSA-N 441.509 2.446 0 40 IEAB Cc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)c1 9438581 DZULDRPMMFAJOA-UHFFFAOYSA-N 446.525 2.428 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 9438585 FMMJLRHCUMADBE-UHFFFAOYSA-N 444.465 2.147 0 40 IEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccc(Br)cc1 9466236 DARDOUAKCCZMRY-QGZVFWFLSA-N 433.302 2.470 0 40 IEAB CC(=O)Nc1nc(SCC(=O)Nc2cc(C)on2)[nH]c(=O)c1NC(=O)c1ccccc1 9518256 OLEPGVBATXWGSS-UHFFFAOYSA-N 442.457 2.008 0 40 IEAB CC(C)Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(F)cc1)c(=O)n2CC(C)C 9519982 CNQPTZIRPHNGLM-UHFFFAOYSA-N 429.496 2.127 0 40 IEAB CC(C)OC(=O)c1cc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 9556220 GZECYWSMZIKHJK-XDNAFOTISA-N 431.441 2.410 0 40 IEAB CNS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 9670969 DKZITPIOQRGHAJ-HNNXBMFYSA-N 425.510 2.355 0 40 IEAB NC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 9737469 KZENXHRKVVEXBH-HSZRJFAPSA-N 448.504 2.476 0 40 IEAB COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccccc3F)c2=O)cc1 9830960 HIQQMGKRYTUKHM-UHFFFAOYSA-N 434.427 2.393 0 40 IEAB CCn1c(SCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)nnc1C1CC1 9868639 JXAMZDZOKIKISB-QGZVFWFLSA-N 434.587 2.483 0 40 IEAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F 12768562 PYRALXRISYUIRU-UHFFFAOYSA-N 429.420 2.331 0 40 IEAB C[C@@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(C(N)=O)cc1 12907397 AYIPYSHOCHFCCM-GTJPDFRWSA-N 425.466 2.285 0 40 IEAB O=C(CSc1nnnn1Cc1ccccc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13406350 REZVQSPFGQZGGB-GOSISDBHSA-N 436.497 2.107 0 40 IEAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 14070833 ZFXHPLQAMPBMTR-LJQANCHMSA-N 443.525 2.288 0 40 IEAB O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 18203502 WVNLOKUREZLCTN-UHFFFAOYSA-N 444.538 2.438 0 40 IEAB CC(=O)Nc1ccc2c(cnn2CC2(O)CCN(C(=O)c3cc(C4CC4)nn3C)CC2)c1 19022738 QNVATVWELJSMPR-UHFFFAOYSA-N 436.516 2.273 0 40 IEAB CCN1CCN(C(=O)c2n[nH]c(=O)[nH]2)C[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527306 YFNCPYNVVFKHMP-HXUWFJFHSA-N 433.512 2.237 0 40 IEAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(CC(=O)Nc1ccccc1F)CC2 19710550 AOQDBFVJDXGPTI-MRXNPFEDSA-N 440.523 2.380 0 40 IEAB Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N2 19819963 GISCKUNPOXDHCD-SNVBAGLBSA-N 437.287 2.267 0 40 IEAB COc1cc2cc(C(=O)NCCC(=O)N=c3[nH]c4ccccc4[nH]3)[nH]c2c(OC)c1OC 20738970 AKNSPRYGIPXUCI-UHFFFAOYSA-N 437.456 2.251 0 40 IEAB Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1cccc(F)c1 21540318 CMWWMQNKLYFPIE-UHFFFAOYSA-N 434.475 2.357 0 40 IEAB CCc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cnn1-c1ccc(OC)nn1 24476081 UBXJIRRUDJGENF-UHFFFAOYSA-N 433.472 2.283 0 40 IEAB Cn1cnc2c1c(=O)n(CCCSc1nnc(Nc3ccccc3F)s1)c(=O)n2C 24716596 XHSGZRUMNWRPFJ-UHFFFAOYSA-N 447.521 2.350 0 40 IEAB CC(C)[C@@H](NCC(=O)N1CCN(c2ncccn2)CC1)c1ccc2c(c1)OCCCO2 24981462 KTVKDGLWIXEBSS-JOCHJYFZSA-N 425.533 2.273 0 40 IEAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 30852656 AZUYBFMUIORHMJ-SFHVURJKSA-N 425.514 2.366 0 40 IEAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)N1CCC[C@H](C(N)=O)C1)CC2 35336568 ABKADFQJXTULOI-YADARESESA-N 437.540 2.375 0 40 IEAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccco3)C(=O)[C@H]1C2 36569383 YPPRVZYHJHJGTF-QGZVFWFLSA-N 427.457 2.082 0 40 IEAB biogenic C[C@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1)n1cncn1 48273568 GYOPXOAYWOMFID-IAGOWNOFSA-N 439.520 2.344 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccnc1-n1cncn1 58145212 IRJRTTNGYQWPKT-UHFFFAOYSA-N 426.502 2.398 0 40 IEAB CCCNC(=O)CN1C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]2(C)NC(=O)c2ccccc21 72341884 WRDMBXWXWAUMCI-CPJSRVTESA-N 434.540 2.180 0 40 IEAB O=C(N[C@H]1CCS(=O)(=O)C1)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 72394558 VVYYSHLRIPUSJQ-AWEZNQCLSA-N 440.468 2.262 0 40 IEAB CCN(CC)CCN(Cc1cccs1)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 79014723 UGBFHPYZIBUEKY-UHFFFAOYSA-N 448.618 2.471 0 40 IEAB NC(=O)COc1cccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)c1 96230971 KRKBFVXUAOSSFV-KRWDZBQOSA-N 434.543 2.296 0 40 IEAB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(Br)c2)C1=O)N1CCOCC1 214261415 CIKOWVMPONGGIC-MDWZMJQESA-N 427.276 2.050 0 40 IEAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1CCN1CCOCC1 223134696 TXGIRZJFADEZMU-BWAGFHJFSA-N 441.601 2.367 0 40 IEAB O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 225264457 RXZBVWXIWDLMKB-LJQANCHMSA-N 448.516 2.324 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225402919 OWZJGVJAERAWJS-OLMNPRSZSA-N 431.920 2.144 0 40 IEAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(OC(F)(F)F)cc1 253472374 LXPBTSMRBGBAKO-AWEZNQCLSA-N 426.347 2.145 0 40 IEAB CC1(C(=O)N2CC[C@@](O)(CN3CCc4ccccc4C3)C2)CCN(c2ncccn2)CC1 257254389 KCVXLHOKDHNSLT-RUZDIDTESA-N 435.572 2.105 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccccc1I 408622357 OZTMPPVSVUZSJO-GQYKBVJTSA-N 448.260 2.283 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408664414 QMLLJKKQBVONFW-JNTCMIMUSA-N 432.860 2.026 0 40 IEAB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)cc1 408664534 REPAMSYHYOENOJ-UHFFFAOYSA-N 431.445 2.841 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 408702207 ABLPEWJVBCTPMX-ZDUSSCGKSA-N 436.486 2.268 0 40 IEAB O=C([C@@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCOCC2(CCOCC2)C1 544216732 FFTSRJGGEVOOOM-OAHLLOKOSA-N 437.334 2.458 0 40 IEAB COc1ccc(CN2[C@@H]3CN(C(=O)CCc4ccccc4)C[C@@H]3OCCS2(=O)=O)cc1 1534645834 JIWBXMJWZJBGHR-YADHBBJMSA-N 444.553 2.069 0 40 IEAB O=C(N[C@H]1CCO[C@H](c2ccncc2)C1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1556652426 HFTPTXVXYWIIPU-WOZUAGRISA-N 425.485 2.190 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5F)C[C@H]4C3)ncn2)n1 2086896636 GTTXQSRXCAHLQK-IAGOWNOFSA-N 442.520 2.175 0 40 IEAB CC(C)c1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 2627817 IQAAJGBNCKQKKU-UHFFFAOYSA-N 443.982 2.207 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)c(Cl)cc2OC)c1 2652927 CEINTKOVDQHRBL-UHFFFAOYSA-N 426.878 2.361 0 40 IEAB Cc1cc(C)c2c(c1)[C@@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 5205156 UAOHXMBTDCHQGE-WHNDPMDSSA-N 425.529 2.127 0 40 IEAB CCOCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 6195377 WNEQBMYNOUYMTB-UHFFFAOYSA-N 427.480 2.380 0 40 IEAB Cc1cc2cc(CN(CCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2cc1C 6320728 UYXFTYQPYHZTHM-UHFFFAOYSA-N 444.538 2.333 0 40 IEAB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)n1 8705966 IWWYAEFBRMOPJW-LLVKDONJSA-N 432.527 2.407 0 40 IEAB COc1ccccc1NC(=O)Cc1noc(CSc2nnc(-c3ccco3)n2N)n1 8982738 WRAOZBRLOSCSEN-UHFFFAOYSA-N 427.446 2.117 0 40 IEAB Cc1cccc(N(CCCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)c1 9226326 CJBGGDVNMSJKOE-UHFFFAOYSA-N 430.530 2.370 0 40 IEAB Cn1c(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)nnc1C(F)(F)F 9284847 ZIEXJJXESFBPIQ-LBPRGKRZSA-N 440.513 2.274 0 40 IEAB CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2F)CC1 9338496 MKLMKBMRYNKTOP-HXUWFJFHSA-N 444.532 2.238 0 40 IEAB C[C@@H](NC(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1)c1ccc2c(c1)OCCO2 9353546 QJKHUJCDIABGCP-CYBMUJFWSA-N 437.543 2.073 0 40 IEAB O=C1C[C@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc2c(c1)OCO2 9906778 HNADUVBNUWVUMI-INIZCTEOSA-N 436.493 2.479 0 40 IEAB C[C@H]1CCN(C(=O)COC(=O)c2sccc2S(N)(=O)=O)c2ccccc2S1 10936118 SLISAEGJNVVALH-NSHDSACASA-N 426.541 2.470 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)CC1 12096178 VQIREOZQNBAZRW-APWZRJJASA-N 444.528 2.335 0 40 IEAB CCCN1CCN(c2nc(N3CCOCC3)nc3c2CCN(Cc2ccccc2)C3)CC1 12242123 QOIPUIJJJVUZTB-UHFFFAOYSA-N 436.604 2.404 0 40 IEAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 12885715 XXYCYBBIXYSVDN-CQSZACIVSA-N 441.459 2.347 0 40 IEAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 13557576 ZOOWWAYTCXFWCO-CQSZACIVSA-N 444.509 2.477 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1Nc2ccccc2NC1=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 13623544 RRRCZLRUTYKLJR-MDASCCDHSA-N 443.592 2.376 0 40 IEAB O=C(c1ccccn1)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19696344 HICBETOKFVQQTA-QGZVFWFLSA-N 438.509 2.377 0 40 IEAB Cc1nc(N)c2ccc([C@H]3CCCN(C(=O)COc4ccc5c(c4)OCCO5)C3)nc2n1 19743372 KDMHPCYZYPOLIF-HNNXBMFYSA-N 435.484 2.472 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O 23121474 DFTPCHWRZLLHMB-UHFFFAOYSA-N 436.486 2.204 0 40 IEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NOCc2ccccc2)CC1 25036381 XDBGJBUEDDARLU-UHFFFAOYSA-N 432.498 2.122 0 40 IEAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCCC(=O)N1CCCC1 32716748 IKWODKUHGJCFTP-UHFFFAOYSA-N 435.480 2.234 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(Cc3cc(C)no3)CC2)ccc1C 32756703 LXBVBFPELOZYHV-UHFFFAOYSA-N 434.562 2.280 0 40 IEAB Cc1csc2nc(COC(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)cc(=O)n12 32910600 KFNSDPAAKNDOSH-QGZVFWFLSA-N 447.538 2.351 0 40 IEAB CCCCn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952397 UDVVBIAUHQNQOM-UHFFFAOYSA-N 430.940 2.199 0 40 IEAB CCCN(C)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 67337227 RKFPHLUXJNHTOE-UHFFFAOYSA-N 439.969 2.066 0 40 IEAB COc1cccc(CN2CC3=C(C2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N3)c1 72346479 ZBFDDZBYAVXRDI-HXUWFJFHSA-N 439.468 2.371 0 40 IEAB Cc1ccc(S(=O)(=O)NCCc2nc(NC3CC3)ncc2C(=O)N2CCCC2)cc1 72352104 HRUVKHAGHBXZCN-UHFFFAOYSA-N 429.546 2.116 0 40 IEAB Cc1ccn(C[C@H](C)C(=O)N2CCC(c3ccc(C(=O)N4CCN(C)CC4)cn3)CC2)n1 72374405 XBKPMCZHYLIJHE-SFHVURJKSA-N 438.576 2.016 0 40 IEAB Cc1c(CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 79189967 JHFLIZBZAZEBEU-OAHLLOKOSA-N 433.526 2.441 0 40 IEAB biogenic Cn1c(N2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc4N=C3O)CC2)nc2ccccc21 95474120 AYDYJLAMFRZKFR-SFHVURJKSA-N 432.484 2.012 0 40 IEAB COc1ccc(-c2cc(C(=O)NCCc3ccncc3)n([C@H]3CCS(=O)(=O)C3)n2)cc1 96125579 BQHWVPQBFCYESY-SFHVURJKSA-N 440.525 2.286 0 40 IEAB O=C(CCn1ccc(=O)[nH]c1=O)N1[C@@H]2CC[C@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 100112777 JBBIPQIAQHOACL-UNEWFSDZSA-N 437.418 2.404 0 40 IEAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CN(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CCCCC1 100568431 QOIRFBJZTQNRBZ-KOOZBHFCSA-N 449.551 2.150 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]21 101352886 XLOVKIKKBWMGFL-VQTJNVASSA-N 449.467 2.412 0 40 IEAB COc1ccc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)c(OC)c1 224709920 SNIVKSVIXGTCJP-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)ccc21 224754849 SSXGSNKDZYCRNZ-UHFFFAOYSA-N 443.569 2.296 0 40 IEAB CCOC(=O)C1=C(CN(C)C[C@H]2COc3ccccc3O2)NC(=O)N[C@H]1c1ccco1 245237493 KZONDHWEJSZFMJ-XOBRGWDASA-N 427.457 2.223 0 40 IEAB O=C(CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1)N1CCOCC1 257259557 KYXKSXLFPDAAQK-UHFFFAOYSA-N 437.540 2.453 0 40 IEAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2N1Cc1ccccn1 306136983 QIESOWZWNGKKMD-WOJBJXKFSA-N 440.500 2.452 0 40 IEAB CN(C1CCN(C(=O)Nc2ccc(I)cc2)CC1)S(C)(=O)=O 506129791 CMWKAWLTMNQQRL-UHFFFAOYSA-N 437.303 2.179 0 40 IEAB Cc1cc(C)n(-c2cc(N3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)ncn2)n1 1889219236 QIBADYTUWIEFDJ-UHFFFAOYSA-N 444.425 2.062 0 40 IEAB O=C(NCc1ccc(F)cc1)[C@H]1C[C@]2(CO1)CN(Cc1ncc(C(F)(F)F)[nH]1)CCO2 2056226261 OAFPRTZABPKXRB-DNVCBOLYSA-N 442.413 2.244 0 40 IEAB COc1ccc(CCNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 958816 OOMPKSMAUHSUER-CYBMUJFWSA-N 442.541 2.354 0 40 IEAB O=C1N[C@@H]2c3c(I)sc(I)c3C(=O)[C@H]2O1 5847530 UWDMOILRXVLKCY-WUJLRWPWSA-N 446.991 2.303 0 40 IEAB O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)NC(=O)Cc1ccccc1 8824139 WDLQTGUIDNRVON-UHFFFAOYSA-N 440.521 2.443 0 40 IEAB COc1ccccc1-n1c(-c2ccccc2)cn2c3c(=O)n(CCCO)c(=O)n(C)c3nc12 9297567 FRTJDZXDZKTIRT-UHFFFAOYSA-N 445.479 2.197 0 40 IEAB Cc1nnc(NC(=O)[C@@H](C)Sc2nnc(CCNC(=O)c3ccccc3F)n2C)s1 9304136 VTVUEJJCQGWXBM-SNVBAGLBSA-N 449.537 2.206 0 40 IEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc32)cc1 9382960 WJYDEHDJTURQEF-UHFFFAOYSA-N 428.496 2.239 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)CS2 10707330 YAPZRZLETUJEKR-UHFFFAOYSA-N 433.555 2.489 0 40 IEAB Cc1cccc(OCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)c1 12071597 LKBDDMXDBIZOFU-UHFFFAOYSA-N 435.459 2.284 0 40 IEAB CCn1cc(C(=O)N2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)c(C)n1 12133284 XDCOBUWPEUJXQO-UHFFFAOYSA-N 446.577 2.025 0 40 IEAB CCN(CCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1cccc(C)c1 12635149 VEAGEVFUOQSYDD-UHFFFAOYSA-N 437.587 2.334 0 40 IEAB O=C(COC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1nc(-c2ccc(F)cc2)cs1 12637410 ZWTMUPRBSDYPDQ-GJZGRUSLSA-N 443.456 2.382 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1 15514342 MUAMZJQSICYNBF-UHFFFAOYSA-N 431.470 2.067 0 40 IEAB Cc1nc2c(c(NC[C@@H]3CCCO3)n1)[C@H]1CC[C@@H](C2)N1S(=O)(=O)CCc1ccncc1 19286253 MKONIVONBFOVSY-CMKODMSKSA-N 443.573 2.405 0 40 IEAB COc1ccc(C2(C(=O)N3CCC(Cn4nnn(-c5cccs5)c4=O)CC3)CC2)cc1 19553616 VFTNTTJZIIJJKI-UHFFFAOYSA-N 439.541 2.470 0 40 IEAB CN(c1nc(N2CCCC2)nc2c1CN(Cc1ccccc1)CC2)[C@H]1CCS(=O)(=O)C1 19586747 KAOOTDKIUKRUNT-IBGZPJMESA-N 441.601 2.258 0 40 IEAB CN(C)CCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C(=O)c2cccnc2N)C1 19702269 VZYSLAXSDRWLBI-AWEZNQCLSA-N 438.557 2.195 0 40 IEAB COc1ccc(OC)c(COC[C@@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 22918074 OPXDRRRHPRGCFU-FQEVSTJZSA-N 444.528 2.128 0 40 IEAB CCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(OC)c(OC)c(OC)c1)CSC2 23138746 ZXITVLWHTVSTRO-UHFFFAOYSA-N 434.518 2.434 0 40 IEAB CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24660957 ZGDKIADYCFTGDQ-CVEARBPZSA-N 436.555 2.447 0 40 IEAB COc1cc(CN/C(C)=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1OC 25179025 YJXJVQINMYFZGP-LDADJPATSA-N 443.431 2.498 0 40 IEAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 32127454 BMUYSPHGRZJLSP-UHFFFAOYSA-N 426.498 2.211 0 40 IEAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(Cc3ccccc3)CC2)c1=O 44840621 MKDJPJOYECTYQY-IBGZPJMESA-N 434.540 2.479 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2nc3c(Oc4cccc(OC)c4)nccn3c2=O)cc1 49008420 NUDBUNVDZMQKCY-UHFFFAOYSA-N 449.423 2.117 0 40 IEAB CCOc1ccc2[nH]c(=O)c(CN(CCO)Cc3nnnn3C3CCCCC3)cc2c1 57642625 PMHSWYFEXDWIBT-UHFFFAOYSA-N 426.521 2.413 0 40 IEAB CCn1c(CNC(=O)c2cccc(OC)c2)nnc1SCC(=O)Nc1cccnc1 72191595 ZMXHQIOPXWQSOU-UHFFFAOYSA-N 426.502 2.362 0 40 IEAB COCCN(CCOC)c1ccc(C)cc1C(=O)NCc1c(C)nn(CCOC)c1C 72289547 MVMVIDHJSWRRJR-UHFFFAOYSA-N 432.565 2.484 0 40 IEAB O=C(N[C@@H]1CCc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccc2nsnc2c1 72345783 SJGQQXBROFXPGD-QGZVFWFLSA-N 444.538 2.130 0 40 IEAB O=c1ccc(-n2ccc3ccccc32)nn1CCNS(=O)(=O)c1ccc2c(c1)CCO2 96103374 JLTJKJMOPVDFSJ-UHFFFAOYSA-N 436.493 2.101 0 40 IEAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCCSc2ncn[nH]2)cc1 222683605 YPAPSQACDVQBQO-UHFFFAOYSA-N 447.542 2.201 0 40 IEAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 245225415 USOFYTLMVKAZQK-SFTDATJTSA-N 427.570 2.478 0 40 IEAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ncccn2)n1C 409161787 AYGTZOKNIRBJLN-MRXNPFEDSA-N 425.518 2.463 0 40 IEAB O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 521731416 WNQZCSZRBSSUAS-QKLQHJQFSA-N 429.542 2.257 0 40 IEAB O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 543036796 KDMLXVMIPYVNSZ-KZULUSFZSA-N 436.394 2.391 0 40 IEAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147650 MPNHBKYOBVEAGP-AWEZNQCLSA-N 445.497 2.033 0 40 IEAB Cc1ocnc1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643556352 LGERPCANDYFSRC-QHCPKHFHSA-N 427.501 2.458 0 40 IEAB Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1CCc1ccc(O)cc1 1742820163 ONLJUUZWPCRHLO-HXUWFJFHSA-N 433.578 2.366 0 40 IEAB Cc1cc(N2C[C@H]3CN(C(=O)Cc4ccc(S(=O)(=O)C(C)C)cc4)C[C@@H]3C2)ncn1 1775975534 JMBOONBNFBGDLD-OALUTQOASA-N 428.558 2.104 0 40 IEAB Cc1csc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)n1 9262432 VVSSRJXCAHTLBE-UHFFFAOYSA-N 434.522 2.422 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)c2cccn(OCc3ccc(F)cc3)c2=O)n1 9599672 GSPXUYDDKKBJBV-UHFFFAOYSA-N 431.445 2.431 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnnn1Cc1cccs1)CC2 9712576 NLFHOWXDDUNLPU-UHFFFAOYSA-N 431.543 2.477 0 40 IEAB CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccc2c(c1)OCO2 9796180 FJVKIJRSCSYXTB-UHFFFAOYSA-N 431.514 2.270 0 40 IEAB CCCCCOC(=O)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1C 10386346 SSMMTEXHOJCFAT-UHFFFAOYSA-N 430.530 2.308 0 40 IEAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1Br 12856686 PVEWHSIQQXFUMS-ABAIWWIYSA-N 443.319 2.150 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 12874350 AXIMJRRPWWYXGT-NRFANRHFSA-N 430.464 2.287 0 40 IEAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)c12 14900494 BYQQOUTXBQQZIB-UHFFFAOYSA-N 446.555 2.228 0 40 IEAB CCN1CCN([C@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19527938 CEEVVRUGUBHYAM-OAQYLSRUSA-N 437.548 2.365 0 40 IEAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(Cc2ccccc2F)CC1 19552911 KDJGGEMWCBJOLN-UHFFFAOYSA-N 427.505 2.493 0 40 IEAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)Nc1ccc(CN2CCOCC2)cc1 23805814 OGOBHEPTDWNIEU-UHFFFAOYSA-N 449.555 2.437 0 40 IEAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)NC(N2CCN(Cc3ccccc3)CC2)=N1 26816116 URNSBLCZGLACMD-IBGZPJMESA-N 425.920 2.341 0 40 IEAB COc1cc(C(=O)N[C@@H](C)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc(OC)c1OC 29339342 URVWCQKEYHJYOB-JTQLQIEISA-N 435.864 2.222 0 40 IEAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 31688968 ICNABWKBELYZEU-IBGZPJMESA-N 430.526 2.185 0 40 IEAB COc1c2c(c(NC(=O)Cn3nc(C)c4ccccc4c3=O)c3c1OCO3)CCN(C)C2 32124023 BXUHICUBSPPAFP-UHFFFAOYSA-N 436.468 2.069 0 40 IEAB biogenic O=C(NCc1ccnc(N2CCCC2)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 32902216 OVMHLYXRTYEFEH-UHFFFAOYSA-N 428.558 2.399 0 40 IEAB CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(Br)o1)C(=O)NCCN1CCOCC1 32925713 MWSDDIOKJFYMEE-FQUZHUSPSA-N 442.354 2.035 0 40 IEAB CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 35289253 UUHJXAMNOUTTNP-UHFFFAOYSA-N 431.514 2.401 0 40 IEAB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 36229189 TYCTVQFEZIWKOU-UKRRQHHQSA-N 446.953 2.115 0 40 IEAB CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)c1cccc(F)c1 40047576 UJGGMFBMYXGHNZ-PZJWPPBQSA-N 449.548 2.316 0 40 IEAB CCCc1ccccc1OCCNS(=O)(=O)c1ccc(OCCn2cnnn2)cc1 41107779 FXUBWLTXJFSMFH-UHFFFAOYSA-N 431.518 2.062 0 40 IEAB CC1(C)Cc2cccc(OCCNC(=O)c3nc(N4CCOCC4)ncc3Cl)c2O1 48237686 YBGCRFCURAONHJ-UHFFFAOYSA-N 432.908 2.489 0 40 IEAB Cc1ccc(C)c(OCCN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 48332119 PHRTVQKJNAVLIK-UHFFFAOYSA-N 432.542 2.460 0 40 IEAB Cc1nnc(S(=O)(=O)CC(=O)N[C@H](C)c2ccc(Br)cc2)n1C1CC1 57985032 PIOXVXQFTJMJNV-SNVBAGLBSA-N 427.324 2.335 0 40 IEAB C[C@H](NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(=O)N1CCC(=O)CC1 72403621 ABDKOINYMHDPHH-ZDUSSCGKSA-N 427.332 2.405 0 40 IEAB CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2CCCOC)NC(=O)N[C@H]1C 79378967 CDLDZTWXMLRTOS-ZDUSSCGKSA-N 446.529 2.044 0 40 IEAB CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCCN(C)Cc2ccccc2)cc1F 95452569 KIMYJCJZMIIVKA-UHFFFAOYSA-N 443.566 2.388 0 40 IEAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCCN1C[C@@H]2CC[C@H](C1)O2 96012743 HQZZJDJLHGJFLZ-HDICACEKSA-N 434.514 2.087 0 40 IEAB COCC(=O)N1CCc2c(nc3cc([C@H]4CCCN4C[C@H]4CC=CCC4)nn3c2O)C1 100234448 CUKHGQWODODVRM-OXJNMPFZSA-N 425.533 2.459 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 222583223 AGHXIONYWDYMLU-UHFFFAOYSA-N 431.514 2.245 0 40 IEAB COCCNS(=O)(=O)Cc1cccc(NC(=O)CCn2ncc3ccc(C)cc32)c1 223237451 PRIABHWGMDBVPH-UHFFFAOYSA-N 430.530 2.439 0 40 IEAB COc1ccc(OC)c(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c1 225060643 QBAVEHXCELPFTH-UHFFFAOYSA-N 446.576 2.461 0 40 IEAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)C2)on1 253600548 SBOSVFAJZBHCFC-IRIXXLTMSA-N 449.511 2.177 0 40 IEAB Cn1cc(C(=O)N2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n(C)n3)C2)cn1 257233629 GQAYNOLSYUDGJD-HXUWFJFHSA-N 431.443 2.267 0 40 IEAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)cc1OC 390830691 MQWGJBJKNNASQT-KRWDZBQOSA-N 431.557 2.316 0 40 IEAB CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 408601738 GWZYXQROVMNSEB-HNNXBMFYSA-N 434.514 2.433 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)N1CCN(Cc2ccccc2)CC1 408701859 HIGAENKNFJEQMJ-UHFFFAOYSA-N 443.569 2.438 0 40 IEAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCc1ccccn1 408710286 WBPVJPWKZWFHIQ-UHFFFAOYSA-N 432.480 2.318 0 40 IEAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Br)c1OCC(=O)OC 409232489 IOSQFKVIMWOUDS-KPKJPENVSA-N 427.251 2.312 0 40 IEAB COc1cc2c(cc1OC)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(Cc3ccco3)C1=O)CC2 524733582 WZFHLFIKGLXXKW-IRXDYDNUSA-N 427.457 2.301 0 40 IEAB Cc1ncnc(OCC2CCN(C(=O)C[C@H]3CSc4ncc(C)c(=O)n43)CC2)c1C 1565522878 USCYQEJCXHHWOW-KRWDZBQOSA-N 429.546 2.313 0 40 IEAB COc1ccc(Cc2nn3c(=O)/c(=C/C4=Cc5ccccc5OC4)sc3nc2=O)cc1 2245995 UFYFUZKVJHVTIY-NDENLUEZSA-N 431.473 2.086 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 2952219 WBFZDWUGKIRJQP-UHFFFAOYSA-N 429.432 2.397 0 40 IEAB COc1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 3007718 HTFYVJWVXNLOMH-UHFFFAOYSA-N 449.507 2.050 0 40 IEAB CCC[C@H](C(=O)NCCC(C)C)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N 6501472 FGGOFLSWMNJBCM-CQSZACIVSA-N 435.550 2.391 0 40 IEAB COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@H](C)C3)c2C)cc1C 8754920 YEKNPPMUPZCOQB-ZDUSSCGKSA-N 441.575 2.475 0 40 IEAB CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nnc(C3CC3)n2C)ccc1Cl 9245569 FYNXLFMTPYXETE-UHFFFAOYSA-N 429.955 2.327 0 40 IEAB NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 9939853 CPPIHQHJPXDXHO-UHFFFAOYSA-N 440.481 2.462 0 40 IEAB O=c1cnc2ccccc2n1CCS(=O)(=O)NCc1ccccc1CN1CCCC1 12844640 QRLDSIXPRZRGQM-UHFFFAOYSA-N 426.542 2.112 0 40 IEAB CC(C)NC(=O)COC(=O)[C@@H]1CS[C@@]2(c3ccc(Br)cc3)CCC(=O)N12 13147056 SIAUMCMMUBANPU-KBXCAEBGSA-N 441.347 2.408 0 40 IEAB Cc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 13669648 PDKLVJBUQHYUGF-UHFFFAOYSA-N 435.933 2.144 0 40 IEAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(OC)cc3)[nH]c2=O)C1 19499115 LHNCADRFGYKPAT-FQEVSTJZSA-N 438.528 2.370 0 40 IEAB Cc1sc2c(C3CCN(C(=O)[C@@H](C)N[C@H]4CCS(=O)(=O)C4)CC3)nc(C)n2c1C 19561760 RVSXYXFSNVPFIZ-PXAZEXFGSA-N 438.619 2.192 0 40 IEAB CNc1nc([C@@H]2CCCCN2C(=O)Cc2c(C)noc2C)nc2c1CCN(C(C)=O)C2 19708668 HXDOPHNTSCEXGQ-IBGZPJMESA-N 426.521 2.324 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CCC(N)=O)C2)nc2c1CCC(=O)N2Cc1ccccc1 19741535 OAERARXENRNVBW-SFHVURJKSA-N 435.528 2.236 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22227674 MUKZGTZISQESRA-UHFFFAOYSA-N 426.560 2.211 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(C)cc2)N2CCN(C)CC2)cc1OC 22795145 HPAHBODTPJSQTJ-HXUWFJFHSA-N 433.574 2.279 0 40 IEAB Cc1cc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@@H]3CS2(=O)=O)ccc1Br 25048101 LGSUBTUZYJELNI-IIAWOOMASA-N 444.351 2.103 0 40 IEAB Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1C[C@H]1COc2ccccc2O1 26171187 QUJDCRXCXUCQEH-INIZCTEOSA-N 433.468 2.271 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)cc1 26366039 QOXGWYBPDWNPGA-LJQANCHMSA-N 425.595 2.194 0 40 IEAB Cc1ccc(C)c(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(=O)(=O)N(C)C)c1 30854147 PHCCDNVVYGLBBY-UHFFFAOYSA-N 441.557 2.418 0 40 IEAB CS(=O)(=O)c1ccc2nc(NC(=O)C[C@@H]3NC(=O)c4ccccc4N=C3O)sc2c1 32074794 IYSGXJZJPPYPKF-AWEZNQCLSA-N 444.494 2.429 0 40 IEAB CCn1c(SCC(=O)N2CCOCC2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 32579294 CDADUZHRAKGWGI-GOSISDBHSA-N 431.562 2.376 0 40 IEAB COc1ccc(-c2nc(CC(=O)NCc3cccc(NS(N)(=O)=O)c3)cs2)cc1 32754060 WZGBTZPREODXGH-UHFFFAOYSA-N 432.527 2.293 0 40 IEAB CCOC(=O)[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1 33413384 KYGJHHXTKQWEGM-GPLLRDDGSA-N 442.424 2.490 0 40 IEAB O=C(Cc1noc2ccccc12)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 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Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102843523 SUNWHLKKVYMGRC-HUUCEWRRSA-N 448.317 2.106 0 40 IEAB COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220209092 PQEYSRTXWVOJTJ-CYBMUJFWSA-N 436.486 2.284 0 40 IEAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224605719 OYCOVUNUEUGGRN-OAQYLSRUSA-N 445.585 2.439 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)NCCn3c(C)cc(OC)cc3=O)n(C)n2)c1 225615112 VYQLRUALQWCQNT-UHFFFAOYSA-N 426.473 2.013 0 40 IEAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 253487902 SXAWMYQDSKGJHW-MHTWAQMVSA-N 447.422 2.348 0 40 IEAB COc1cccc(NC(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)c1 1549160205 BHTBXNQVFXEMNH-GOSISDBHSA-N 428.489 2.135 0 40 IEAB Cc1cc(=O)n(CC(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1 1888897646 MHVJKLVDLQJUKY-UHFFFAOYSA-N 438.532 2.210 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)cc1 3547285 VOKWDFKAELINKG-UHFFFAOYSA-N 444.553 2.486 0 40 IEAB CCC[C@@H](C(=O)NCCC(C)C)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N 6501158 FGGOFLSWMNJBCM-AWEZNQCLSA-N 435.550 2.391 0 40 IEAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cn1 8774330 IVNFSPWHHRZALN-UHFFFAOYSA-N 432.502 2.064 0 40 IEAB COc1ccc(NC(=O)CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 9134195 MPGSPGKEEMAAKJ-QGZVFWFLSA-N 445.541 2.241 0 40 IEAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(C(=O)c2cccs2)CC1 9515017 CNDCMWWLCYWAFP-UHFFFAOYSA-N 433.555 2.131 0 40 IEAB COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 9671964 VGPMUVOVDRIDQL-CABCVRRESA-N 434.514 2.262 0 40 IEAB CCn1cc([C@H]2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)N(C)S(=O)(=O)N2)c(C)n1 12130348 ZGNVXMOYBOFKDQ-HZPDHXFCSA-N 445.467 2.449 0 40 IEAB CN(CC(=O)N1CCC(c2nn(C)c3ncccc23)CC1)S(=O)(=O)c1ccc(F)cc1 12186750 WOOSSXSYMQUIJP-UHFFFAOYSA-N 445.520 2.134 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc1 12440052 RNZKHXFYOOYQOA-UHFFFAOYSA-N 426.454 2.442 0 40 IEAB C[C@H](C(=O)NCc1ccccc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 12472715 HRPFZNAXBUTNCM-GFCCVEGCSA-N 441.488 2.315 0 40 IEAB CC(C)Cc1ccc([C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)C)cc1 12603111 GOIUDCQMGQIBMP-LJQANCHMSA-N 425.533 2.146 0 40 IEAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 13097952 DFTSANOARDMYFG-UHFFFAOYSA-N 437.543 2.151 0 40 IEAB O=C(CN1CCC(N2CCCCC2)CC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292005 MNFMIBXRPRYBPM-FQEVSTJZSA-N 441.620 2.236 0 40 IEAB CN(C)c1cc(CNC(=O)COC[C@H]2COc3ccccc3O2)nc(-c2cccnc2)n1 19584503 XLOLMTBNIGIWMS-SFHVURJKSA-N 435.484 2.077 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3cccc(OC)c3)CC1)C2=O 19699354 MSAUDKBUCDWFTC-UHFFFAOYSA-N 442.560 2.025 0 40 IEAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)Cc2ccc(N(C)C)cc2)cc(N(C)C)n1 19709808 ADZODCFVZCBWPP-OAQYLSRUSA-N 438.576 2.493 0 40 IEAB CCn1c(CN(c2ccc(F)cc2)S(C)(=O)=O)nnc1SCC(=O)N1CCCC1 20416289 GRCQTFXDMPDVBG-UHFFFAOYSA-N 441.554 2.118 0 40 IEAB COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1C 21682898 QJLFLWNJHYEZGE-UHFFFAOYSA-N 431.514 2.060 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](C)C2=O)c1 21790328 ULIYUQDIAUMQIU-HNNXBMFYSA-N 444.509 2.350 0 40 IEAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc(=O)n(C)c(=O)n1C)CC2 22405955 WLMHBWRCOUKJLL-NRFANRHFSA-N 427.526 2.310 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)C2=O)cc1 23907820 DNNQDGOXSGTHME-XMMPIXPASA-N 447.495 2.307 0 40 IEAB COC(=O)[C@H](CN1CCN(c2ccccc2C)CC1)[C@](O)(c1nccn1C)C(F)(F)F 24927185 MLSOSWMSBLFINV-JXFKEZNVSA-N 440.466 2.090 0 40 IEAB O=S1(=O)CC[C@@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C1 31772947 YVQNGIAIQUSKDD-MRXNPFEDSA-N 449.959 2.102 0 40 IEAB Cc1c(NC(=O)c2cccc(NC(=O)c3ccc(O)nn3)c2)c(=O)n(-c2ccccc2)n1C 32973892 FBKIXEZIQCLCRL-UHFFFAOYSA-N 444.451 2.485 0 40 IEAB O=C(NCCCN1CCOCC1)c1ccc(N2C(=O)[C@H]3Cc4ccccc4CN3C2=O)cc1 36584251 FGTDYQSFWWLVOB-JOCHJYFZSA-N 448.523 2.032 0 40 IEAB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](CO)NC(=O)c1ccccc1 40156480 VNUWSIWECVXMTE-INIZCTEOSA-N 435.274 2.030 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)cc1 40158115 BUDQVONQLRFVMD-UHFFFAOYSA-N 442.541 2.435 0 40 IEAB O=C(NC1CC1)c1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 60034585 KTBYEVMZJGNRHI-OAQYLSRUSA-N 441.553 2.438 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CCC[C@H](C(=O)Nc4nccs4)C3)CC2=O)cc1 71819894 UDSFFEIADKPJFK-LSDHHAIUSA-N 428.514 2.382 0 40 IEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)CCCNS(=O)(=O)c1cccs1 72337466 NJGQTNJYOOKCIP-GOEBONIOSA-N 445.570 2.446 0 40 IEAB Cc1ccc2c(c1)C(=O)C[C@H]([C@H]1CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C1)O2 72396481 YAKQWPDKQFVIBC-LAUBAEHRSA-N 434.558 2.239 0 40 IEAB COCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)cc(=O)[nH]2)CC1 72399232 MHOGZLMRSSTULE-RBUKOAKNSA-N 442.560 2.185 0 40 IEAB O=C(CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21)Nc1ccc(Br)cc1 100033355 FSXUHGWFCJPYNT-HZPDHXFCSA-N 428.246 2.381 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCCCN1CCCc3ccccc31)O2 219401547 POKDSRVGLXWZID-QFIPXVFZSA-N 443.569 2.481 0 40 IEAB Cn1cc(S(=O)(=O)N2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cn1 225598669 CTULKXQPLCFEFM-UHFFFAOYSA-N 431.440 2.367 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)c3c(OC)cccc3OC)C2)nc2c1CCN(C(C)=O)C2 257235639 GYSSYMXCSSGRRM-OAHLLOKOSA-N 439.516 2.070 0 40 IEAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCN(C(=O)CN4C(=O)CNC4=O)CC3)CO[C@H]21 257334850 YHPXTRLZHAXXSH-LAUBAEHRSA-N 441.528 2.404 0 40 IEAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 408659530 SSRAOEWCSYJDRP-ZDUSSCGKSA-N 445.859 2.024 0 40 IEAB COc1ccccc1-c1cc(C(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)n[nH]1 575611599 GNBCEKAYZWTRDL-UHFFFAOYSA-N 445.476 2.155 0 40 IEAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 588145590 KTZRVSGIWUGFQK-UHFFFAOYSA-N 432.440 2.355 0 40 IEAB O=C(Nc1ccc(F)cc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243152 MWLGVODAZTZBFH-KRWDZBQOSA-N 444.488 2.276 0 40 IEAB COc1cc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)nc(OC)n1 677783 ZEWSNFHXWHFXMN-UHFFFAOYSA-N 440.437 2.095 0 40 IEAB O=C(NCCCN1CCCC1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3242365 ZZCDKAATVSUUGA-UHFFFAOYSA-N 427.954 2.257 0 40 IEAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1ccc2c(c1)OC(F)(F)O2 3330133 IQLORBCFKMJKRS-LJQANCHMSA-N 431.351 2.176 0 40 IEAB COCCn1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc21 6136271 RKFOIZXSUFBZBM-OAQYLSRUSA-N 432.484 2.322 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1ccccc1 8818842 ZZXRFTITDHQAAF-CNSVBDKNSA-N 448.500 2.334 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCC[C@@H](C(N)=O)C2)cc1 8900877 SGLDBSQOULBARY-OAHLLOKOSA-N 425.514 2.441 0 40 IEAB Cc1ccc(NC(=O)CN2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 9635607 GGKHMDBDPASYGM-UHFFFAOYSA-N 429.542 2.407 0 40 IEAB O=C(CSc1nnnn1C1CCCC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 9821534 GYJSKPDEIXSQLX-CQSZACIVSA-N 441.604 2.158 0 40 IEAB COC(=O)c1c(NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)sc(C)c1C 9962743 HYZMWKHCCJUZSZ-UHFFFAOYSA-N 429.454 2.043 0 40 IEAB COc1ccccc1NC(=O)CSc1nc(C)nc2c1c(=O)n(C)c(=O)n2CC(C)C 10525795 GBPNODVXNJEWKC-UHFFFAOYSA-N 443.529 2.194 0 40 IEAB COc1cc(OC)c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1OC 11407380 XTAWHCQRMXFYIJ-UHFFFAOYSA-N 434.470 2.157 0 40 IEAB CCOc1ccc2nc(NC(=O)Cn3nc(C(=O)N4CCOCC4)cc3C)sc2c1 11927712 OYPQUYMSZYJLBT-UHFFFAOYSA-N 429.502 2.311 0 40 IEAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@@H](c3n[nH]c4ncccc34)C2)cc1 12221390 URJQAYGBGUXXEB-OAHLLOKOSA-N 443.529 2.041 0 40 IEAB COCCCN(C(=O)c1ccc(C)c(C)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12769437 YRXQFBLCXGZICA-UHFFFAOYSA-N 436.512 2.467 0 40 IEAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3SC[C@@]3(C)NC(=O)NC3=O)cc2NC1=O 12783815 QIEDCMZRCZIUPE-WIUDPPPLSA-N 440.481 2.349 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c(C)nn(CC(C)C)c3C)CC2)cc1 12998748 KUIAXWRMOSAGQQ-UHFFFAOYSA-N 448.589 2.240 0 40 IEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)n1 15379223 FMQYKANPSPSOHP-UHFFFAOYSA-N 444.966 2.357 0 40 IEAB CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16021915 AEIZHXWFYSWLLE-VKDGWMQASA-N 437.471 2.295 0 40 IEAB Cc1cc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)CC2)nc(C(C)C)n1 16103630 DEWFNALSTPLEOT-UHFFFAOYSA-N 449.552 2.017 0 40 IEAB Cc1ccnn1CCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 19238402 GPRCIWMSMOHQKR-SFHVURJKSA-N 438.576 2.372 0 40 IEAB Cc1nc(N)c2ccc([C@@H]3CCCN(C(=O)COc4ccc5c(c4)OCCO5)C3)nc2n1 19743370 KDMHPCYZYPOLIF-OAHLLOKOSA-N 435.484 2.472 0 40 IEAB Cc1cc2c(cc1CN1CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)n(C)c(=O)n2C 19763058 MTCQRYADHFQNLA-KRWDZBQOSA-N 436.560 2.365 0 40 IEAB COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1NC(=O)c1cc(OC)cc(OC)c1 20436003 VOLPWJQFAXUMIL-GOSISDBHSA-N 448.497 2.282 0 40 IEAB CN(Cc1cnn(C)c1)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 25049060 MPPBDZQTECEDQT-UHFFFAOYSA-N 442.497 2.264 0 40 IEAB COc1ccccc1[C@@H](NC(=O)COCc1nc2ccccc2c(=O)[nH]1)c1nccn1C 32908414 VCJAIJDLPSMKBT-OAQYLSRUSA-N 433.468 2.088 0 40 IEAB Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C 33401271 NYUPLUBNLORVQW-CPNJWEJPSA-N 446.467 2.287 0 40 IEAB COC(=O)c1cc(C(=O)OC)cc(-n2ccc3c(cnc4nc(C(F)(F)F)nn43)c2=O)c1 38783832 WEJPTPZRQWRUOV-UHFFFAOYSA-N 447.329 2.020 0 40 IEAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1cc(N2CCCC2=O)ccc1F 48302100 LTTHGAMFAQWUQC-UHFFFAOYSA-N 446.504 2.467 0 40 IEAB CCCCn1c(=O)c2sccc2n(CC(=O)NCc2cccc(OC)c2OC)c1=O 57427256 TVVKXIGMEHTZGR-UHFFFAOYSA-N 431.514 2.358 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1OC 62022710 IRZOMYLHIWDTHH-GOSISDBHSA-N 436.516 2.255 0 40 IEAB CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 84072168 UEQKFTWDMFMIKI-QAPCUYQASA-N 446.479 2.044 0 40 IEAB CCN(C[C@@H](C)C(=O)O)C(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 95970641 ACWDOXKDYCQFRM-CFRMROPGSA-N 426.535 2.354 0 40 IEAB COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCO2)c1c(O)nc2ccc(Cl)cn2c1=O 96113719 STUQTWAGPQCBNK-LBPRGKRZSA-N 432.816 2.486 0 40 IEAB biogenic CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2cccs2)CC3)C1=O 96144441 WKCOKQCEUREHPS-QFIPXVFZSA-N 432.590 2.135 0 40 IEAB Cc1cc(OCC(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc(C)c1Cl 206904864 QOXRYRUYJQQAIK-UHFFFAOYSA-N 427.896 2.055 0 40 IEAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)c(C)cc21 223358737 YAUSOSILPUKEGP-UHFFFAOYSA-N 448.453 2.297 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(N2CCCC2=O)c1 224426408 AIXHLANJMPPOOQ-INIZCTEOSA-N 445.541 2.293 0 40 IEAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225372820 UWTBQSAIRBUSDL-UHFFFAOYSA-N 442.548 2.455 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(C)cc1 225383710 QSUGEEDXQQSDKM-UHFFFAOYSA-N 432.542 2.274 0 40 IEAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(F)cc3)C2)C(=O)N1Cc1ccccc1Cl 225391948 DMIXDGZRAJHNDU-QUCCMNQESA-N 443.906 2.038 0 40 IEAB biogenic,in-vitro COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(=O)c4cncc(C)c4)C[C@@H]2C3)cc1 306140600 UYQINRQRGSSYOO-DLBZAZTESA-N 432.484 2.187 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)c2)no1 408667811 SZMICTJZORFXNM-JCURWCKSSA-N 425.441 2.704 0 40 IEAB O=S1(=O)C[C@@H](O)[C@@H](Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)C1 575421583 KCQRTBYVZLSHAR-VQTJNVASSA-N 432.523 2.210 0 40 IEAB COc1cccc(C(=O)N2C[C@@H]3COCCN3C3(CN(Cc4ccccc4F)C3)C2)c1 604382096 DFAHYJHOWNXTEU-HXUWFJFHSA-N 425.504 2.246 0 40 IEAB biogenic,in-vitro Cc1ccc(-c2noc(=O)n2CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1332575 CVFXACZOGFGSOY-UHFFFAOYSA-N 442.497 2.235 0 40 IEAB COc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)cc1OC 3289819 JIZYQJMSFWIUOU-CQSZACIVSA-N 428.441 2.207 0 40 IEAB O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12)c1cnccn1 8296503 JIPBZNCKCOEMOW-ICSRJNTNSA-N 431.427 2.248 0 40 IEAB biogenic,in-vitro O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)NC(N2CCN(c3ccccc3F)CC2)=N1 8777043 SOSKNCRBCKWNKN-KRWDZBQOSA-N 429.883 2.484 0 40 IEAB Cc1ccccc1-n1c(SCn2nnc3ccccc3c2=O)nnc1N1CCOCC1 9207541 VNGOLZBGPRZHGQ-UHFFFAOYSA-N 435.513 2.267 0 40 IEAB Cc1ccc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc1S(=O)(=O)N(C)C 9715116 JZAXMZLCAPFARG-UHFFFAOYSA-N 446.525 2.295 0 40 IEAB Cc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)N2CCOCC2)o1 12622947 VVUUQQMSYSPDBV-HXUWFJFHSA-N 447.557 2.176 0 40 IEAB NC(=O)C1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 13719175 FAGHSUJMZWUXPZ-UHFFFAOYSA-N 441.981 2.149 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3[C@@H](C)CCC[C@@H]3C)CC1)O2 19496045 BTQSDYHYQXYZMK-WOGXIUBCSA-N 443.544 2.358 0 40 IEAB CN1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4ccccn4)CCO3)nc3ccccc23)CC1 19762779 GQKQYABIBHOAIM-HSZRJFAPSA-N 445.523 2.231 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)Cn2ccc3ccc(Br)cc32)cc1 20727786 WQROCHDBEXEASW-UHFFFAOYSA-N 436.331 2.410 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 20738400 PIJQZANUACJWBY-IERDGZPVSA-N 435.480 2.430 0 40 IEAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCN(C)CC3)ccc2C)cc1 22822136 YBFHWGYVSFEHJY-UHFFFAOYSA-N 444.601 2.472 0 40 IEAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc2c(=O)n3c(nc2c1)CCC3 32843015 VPZAHLVWYONOQB-UHFFFAOYSA-N 428.374 2.334 0 40 IEAB O=C(CN1CCN(S(=O)(=O)N2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 36351200 LYHDCSHFIIPNAM-UHFFFAOYSA-N 435.377 2.280 0 40 IEAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1nnc2n(C)c(=O)c3sccc3n12 40153896 YEQWODRZZRMEBC-LBPRGKRZSA-N 431.543 2.239 0 40 IEAB Cc1nccn1-c1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 44903598 DTESEJGRYIIMRF-UHFFFAOYSA-N 427.530 2.110 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccn1 48309605 VZKKCZBITXGQQU-QGZVFWFLSA-N 445.570 2.354 0 40 IEAB COC(=O)c1cn(Cc2ccc(OC)c(F)c2)nc1S(=O)(=O)N1CCC[C@@H](C)C1 49402148 LBGJVIBKTLNIEO-CYBMUJFWSA-N 425.482 2.286 0 40 IEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 95471316 NFFFRUZPAHZVHR-OAQYLSRUSA-N 434.496 2.420 0 40 IEAB CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(S(=O)(=O)c1ccc(F)c(F)c1)C2 96237998 UUZDBQAZFFMZLK-FQEVSTJZSA-N 439.459 2.216 0 40 IEAB COc1cccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)c1 96251364 AHOMCPNSQCQGMM-CPJSRVTESA-N 449.555 2.370 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN1CCc2ccccc21 224444222 DREZDPAREWYWFR-UHFFFAOYSA-N 445.585 2.447 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225728521 KPNSZQIWKMULLH-UHFFFAOYSA-N 428.436 2.008 0 40 IEAB O=C1CCCN1CCCOc1ccc(CN2C[C@H](O)[C@@H](N3CCC(F)(F)CC3)C2)cc1 257219031 DFIOAEKPNJPKEX-SFTDATJTSA-N 437.531 2.354 0 40 IEAB Cc1nonc1CNC(=O)C[C@H]1CCCN(C(=O)c2ccnc(N3CCCCC3)c2)C1 257279631 OHMCPUWZDLZPRD-QGZVFWFLSA-N 426.521 2.322 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)C2CCCCC2)cc1 408623170 RKMWBCNQZDBZLJ-UHFFFAOYSA-N 437.606 2.157 0 40 IEAB O=C(Cc1ccccc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(Cl)c3)C2)C1 514290133 UEJWJHYJHGKRBM-FCHUYYIVSA-N 425.960 2.415 0 40 IEAB biogenic,in-vitro O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 538272934 XACREQOKJVOQNG-CJRSTVEYSA-N 428.488 2.463 0 40 IEAB CN(C)CCN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O 585106602 CPZWSCXEGGLCMU-ZJSXRUAMSA-N 425.504 2.225 0 40 IEAB O=C(NCC1CC1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)Cc2cccc(F)c2)C1 585106791 QDWIZQSPFAIVIP-QHCPKHFHSA-N 425.508 2.355 0 40 IEAB O=C(C[C@]1(COc2ccc(F)cc2)CN(Cc2cccc(O)c2)CCO1)N1CCOCC1 585271599 AWPKZWCPBRPSKB-XMMPIXPASA-N 444.503 2.430 0 40 IEAB Cc1cc(C)nc(SCCn2c(N3CCCCCC3)nc3c2c(=O)n(C)c(=O)n3C)n1 812587 ZJRRSYOKPOZOGX-UHFFFAOYSA-N 443.577 2.013 0 40 IEAB CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2cn(C)c3ccccc23)C1 3841946 PVENJHYCYOOJPY-ZWKOTPCHSA-N 433.556 2.459 0 40 IEAB biogenic,in-vitro COc1ccc(NC(=O)Cn2nnc(-c3nc(-c4ccc(F)cc4)no3)c2N)cc1OC 9211592 XCKMCVKKUJRYGJ-UHFFFAOYSA-N 439.407 2.372 0 40 IEAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 9364847 RDVFORUZDLPUBC-UHFFFAOYSA-N 426.480 2.447 0 40 IEAB CCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 9646989 LKEPONBPGAVIDV-OAHLLOKOSA-N 433.530 2.083 0 40 IEAB C[C@@H](NC(=O)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)c1ccccc1 10219818 OUHDFWMNWOHUPZ-CYBMUJFWSA-N 442.472 2.256 0 40 IEAB COc1cc(C(=O)NCC(=O)NCc2ccc(N3CCCC3=O)cc2)ccc1OC(F)F 10455311 VUGSOVIMVSRLGT-UHFFFAOYSA-N 447.438 2.470 0 40 IEAB C[C@H](OC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)Nc1ccccc1 10688743 CVNPULFFGCSVSG-YJBOKZPZSA-N 432.498 2.328 0 40 IEAB CC(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12553782 DEVBETLKYZHUJJ-UHFFFAOYSA-N 425.551 2.300 0 40 IEAB COC(=O)c1ccc([C@@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 12660951 CZCYWGTVNNUEQB-CROMWVBPSA-N 434.485 2.416 0 40 IEAB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C 12852628 LSCOHNDNIDXQTH-UHFFFAOYSA-N 437.493 2.094 0 40 IEAB O=C(CCc1nc(-c2ccsc2)no1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12902176 MBUJWBNYFBFFGC-UHFFFAOYSA-N 432.527 2.264 0 40 IEAB C[C@@H](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 12972719 XHFQPCLHSRZYAP-CJNGLKHVSA-N 435.933 2.213 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 13108692 VULUYBPPPFTKII-GOSISDBHSA-N 437.521 2.199 0 40 IEAB O=C(CN1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1)N1CCOCC1 13112680 JJWMXOILWIZUAB-UHFFFAOYSA-N 441.532 2.478 0 40 IEAB O=C1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccccn2)c2ccccc2N1 13551663 NRNSVEZLIBGHIN-FQEVSTJZSA-N 429.480 2.477 0 40 IEAB CS(=O)(=O)CC[C@H](C(=O)Nc1nc2ccccc2s1)N1C(=O)c2ccccc2C1=O 14241525 NYHHQZZHIQWABS-OAHLLOKOSA-N 443.506 2.334 0 40 IEAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 15470301 JJJRPTZPKIVJPD-VXGBXAGGSA-N 425.407 2.066 0 40 IEAB COc1cc(C(=O)NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(OC)c1OC 16031146 AIVKMXQXXMVVJY-HIFRSBDPSA-N 443.525 2.008 0 40 IEAB biogenic C[C@@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 16699175 SCCSJUBQQJZJMP-OAHLLOKOSA-N 440.452 2.455 0 40 IEAB Cc1ncc(-c2ccncc2)c(CCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)n1 19286943 YZZNKCDSXIZHOY-UHFFFAOYSA-N 443.504 2.209 0 40 IEAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)CC2)Nc2ncccc21 19346622 DDFXEHPUNBXZGB-QSAZIKIQSA-N 425.533 2.127 0 40 IEAB CC1CCC(NC(=O)[C@H]2[C@@H](C(=O)N3CCOCC3)[C@@]2(C)C(=O)c2ccccc2N)CC1 19496018 NJSIIADNQSGBMS-WHHSIKPASA-N 427.545 2.258 0 40 IEAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCCCC3)[nH]c(=O)c2C1 19520394 STAKIUCOOIHZDV-GOSISDBHSA-N 436.578 2.112 0 40 IEAB CC(=O)N1CCC[C@H](c2nc(CN(C)C(=O)COc3ccccc3F)cc(N(C)C)n2)C1 19709669 OSEASIYNLQLHRX-KRWDZBQOSA-N 443.523 2.445 0 40 IEAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20495333 VVOOJIQBRLICSL-LJQANCHMSA-N 431.514 2.238 0 40 IEAB NS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1 23395613 JZHAIDFOTUGAAY-UHFFFAOYSA-N 446.432 2.339 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cn3cc(Br)cn3)cc2)cc1 27969989 AHYKQDCPIHGCFY-UHFFFAOYSA-N 449.330 2.271 0 40 IEAB Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1N1CCCC1=O 30856177 TWWBNEUJQQDTGU-UHFFFAOYSA-N 443.525 2.395 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C[C@@H](O)COCc3ccccc3F)CC2)cc1 32814795 XQUMRACPKSDRFS-HXUWFJFHSA-N 436.549 2.408 0 40 IEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)N1CCN(c2nccs2)CC1 32900232 BBJCDTKYZUFKGV-UHFFFAOYSA-N 425.440 2.108 0 40 IEAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 40155988 KZTXDWKQAWAISQ-AWEZNQCLSA-N 435.933 2.270 0 40 IEAB CN1C(=O)N(CC(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)C(=O)C12CCCCC2 48339874 PURNWENCVJUOPC-MRXNPFEDSA-N 428.537 2.265 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)CC1 48984789 OQAHRPYXZWPXEB-UHFFFAOYSA-N 440.572 2.123 0 40 IEAB O=C(Nc1cccc(CNC(=O)N2CCC[C@@H]2C(=O)NCC(F)(F)F)c1)[C@H]1CCCO1 58218686 SDRPZKLEIIAPKG-HZPDHXFCSA-N 442.438 2.157 0 40 IEAB NC(=O)Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 58744585 FPCXZVRGQPUQMY-UHFFFAOYSA-N 429.542 2.460 0 40 IEAB NC(=O)[C@@H]1CC(C(=O)NC[C@@](O)(Cc2ccccc2)c2ccccc2)=NN1c1ccccc1 72304415 LYXIBRPUAIZVKZ-OZXSUGGESA-N 442.519 2.353 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1 72394210 KSNPGQMMWHGDJF-OAHLLOKOSA-N 437.543 2.012 0 40 IEAB CC(C)(C)c1ncsc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 95463908 OVSHSKQVCKKYES-UHFFFAOYSA-N 437.543 2.286 0 40 IEAB COc1ccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CC(C)(C)NC(C)(C)C3)[C@H]4C2=O)cc1 108234216 KTAJWCMWTBOYDJ-PUFAWVJESA-N 439.556 2.407 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222421557 MLFDCTJDUJSHQA-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(C)S(C)(=O)=O 223467363 CRGWVGVLVYFEFQ-NRFANRHFSA-N 449.548 2.313 0 40 IEAB O=C(NCCn1nc([C@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)c2cccnc21)C1CC1 257279880 OINLPJJUKPDJJW-ZWKOTPCHSA-N 425.533 2.233 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4cccc(C)n4)C[C@@H]2C3)cc1 306132972 LXVSFFUNHZVWSI-HOTGVXAUSA-N 432.484 2.187 0 40 IEAB O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CCN(C4CCC4)C[C@@H]13)O2 514287466 DRZRHXXTFQHFPP-ZJOUEHCJSA-N 427.545 2.202 0 40 IEAB O=C(O)CCCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575426446 TWXZJTJEEAUFKQ-INIZCTEOSA-N 440.543 2.058 0 40 IEAB OC1(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCN(c2ccc(F)cc2)CC1 585283585 RZUPDAGUYMURHM-XMMPIXPASA-N 448.510 2.438 0 40 IEAB Cc1ocnc1C(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OC[C@H](C)NC(=O)C1 643559606 ZYCWDIUEMLXYJQ-ZDUSSCGKSA-N 448.907 2.186 0 40 IEAB O=C(NCCO[C@@H]1CCCCO1)c1ccc(C(=O)NCCO[C@@H]2CCCCO2)s1 646305442 MZSDPARAQZYOAU-QZTJIDSGSA-N 426.535 2.294 0 40 IEAB CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2O)CC1 1540672759 ZVCWKQQZENUZGW-HNNXBMFYSA-N 440.548 2.215 0 40 IEAB O=C1NCCN(C(=O)c2cccc(Cl)c2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 2197561 RRDNJHUEEQLXGL-HXUWFJFHSA-N 440.931 2.020 0 40 IEAB CN1C(=O)/C(=c2\sc3n(c2=O)CN(c2cccc(C(F)(F)F)c2)CN=3)c2ccccc21 2256885 KEXZBLRSDQJCJG-MSUUIHNZSA-N 444.438 2.159 0 40 IEAB O=C(COc1ccc(F)cc1)Nc1nnc(S(=O)(=O)N2CCc3ccccc32)s1 8588055 XEFXXAYPFPRIPV-UHFFFAOYSA-N 434.474 2.446 0 40 IEAB CCCCn1c(=O)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)c2c1ncn2Cc1ccco1 8778572 VWAYLIRQNUWTQH-FUHWJXTLSA-N 441.532 2.496 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)cc1 9341917 BRTLQMQOVASRIL-LJQANCHMSA-N 429.542 2.405 0 40 IEAB Cc1ccc2[nH]c(SCC(=O)c3c(N)n(Cc4ccccc4)c(=O)n(C)c3=O)nc2c1 9491636 JOZDQARVEWZZDA-UHFFFAOYSA-N 435.509 2.337 0 40 IEAB Nn1c(SCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1 9493749 RULZNURZVHRXQO-KRWDZBQOSA-N 449.602 2.099 0 40 IEAB COCCNC(=O)CCc1nnc2n(Cc3ccc(Cl)cc3)c(=O)c3ccccc3n12 9831465 UIJMCQJLBYPWNN-UHFFFAOYSA-N 439.903 2.441 0 40 IEAB Cc1nnc(SC[C@@H](C)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1 10249297 LQJYNSZYIOIMIA-NSHDSACASA-N 435.579 2.002 0 40 IEAB Cc1ccc(OC[C@@H](O)Cn2c(NCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 10274092 KENJIXBIECJTEW-SFHVURJKSA-N 449.511 2.092 0 40 IEAB CC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C 10369227 NFVUOTWXOGULIU-GFCCVEGCSA-N 446.870 2.083 0 40 IEAB CS(=O)(=O)N(Cc1ccc(C(=O)N2CCN(C=O)CC2)cc1)c1cccc(Cl)c1 10688449 GFJGOHTVLSRMJA-UHFFFAOYSA-N 435.933 2.220 0 40 IEAB COc1ccc(S(=O)(=O)NCCNc2ccc(Nc3ccccn3)nn2)cc1OC 11697425 CXQLFFVLVQZMBQ-UHFFFAOYSA-N 430.490 2.023 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 12558216 TZRGHKXPBYLMSM-GOSISDBHSA-N 432.546 2.041 0 40 IEAB COC(=O)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 12764361 YDKFDUCNMVWYCN-UHFFFAOYSA-N 433.486 2.020 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 12764527 UPORWWROUFWIRZ-UHFFFAOYSA-N 443.569 2.334 0 40 IEAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12998153 JWLSBSMITVIPIG-FQEVSTJZSA-N 435.496 2.291 0 40 IEAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 13032576 BCZZXWFBOHNXGD-CQSZACIVSA-N 434.470 2.103 0 40 IEAB CCCn1c(O)nnc1S[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 16787822 MWVFNNIDZSRKRM-SNVBAGLBSA-N 447.970 2.417 0 40 IEAB O=C(c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3)N1CCC(O)CC1 19372399 YVKPTVTVYNOKHN-UHFFFAOYSA-N 432.524 2.052 0 40 IEAB CC(C)c1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 19463449 GYZDPCBMKQSPTD-JKSUJKDBSA-N 429.546 2.151 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)NCCc2nc(C(C)C)ncc2-c2ccncc2)CC1 19520283 DOHVLGZFYJWMBL-UHFFFAOYSA-N 445.589 2.382 0 40 IEAB CNc1nc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2F)nc2c1CCN(C(C)=O)C2 19707503 FHFXIONJLCBMEK-SFHVURJKSA-N 445.470 2.444 0 40 IEAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN3C(=O)c3ccccn3)nc2n(C)c1=O 19743630 LOFKDCKTUHFLGD-CQSZACIVSA-N 433.390 2.023 0 40 IEAB Cc1nc(C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)ncc1C(N)=O 19766646 BICBLAXRYNZBAV-UHFFFAOYSA-N 428.436 2.471 0 40 IEAB Cc1c(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(=O)oc2cc(O)ccc12 20622304 BGTWBQPKTOINPP-UHFFFAOYSA-N 436.464 2.423 0 40 IEAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C4CCN(C(C)=O)CC4)CC3)C2=O)cc1 22171980 GMPOESXRVKDYRL-OAQYLSRUSA-N 441.528 2.076 0 40 IEAB COC(=O)[C@H](c1ccccc1Cl)N1CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 24887725 IFLUBXLIHUXQRZ-PBHICJAKSA-N 438.956 2.185 0 40 IEAB CCCOc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc1C 43961645 JMMFZPRCSCICSU-UHFFFAOYSA-N 430.592 2.266 0 40 IEAB O=C(Oc1ccc(NC(=O)c2cccs2)cc1)c1cn(CC(=O)N2CCCC2)nn1 62580463 SBPUPSAAJWRKIS-UHFFFAOYSA-N 425.470 2.434 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC(OCCN(C)C)CC1 72280936 MYKBJPAVJIUDTH-UHFFFAOYSA-N 437.606 2.352 0 40 IEAB NCCN1C(=O)CO[C@H](c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)[C@H]1CO 72321377 POWRLORGQCXLOR-IEBWSBKVSA-N 437.418 2.177 0 40 IEAB biogenic,in-vitro O=C(Cc1cccs1)Nc1nc(C(=O)NCCn2nc(-c3ccco3)ccc2=O)co1 77099834 IENXZEIRDMRDLU-UHFFFAOYSA-N 439.453 2.164 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)[C@H]3COCC(=O)N3Cc3cccs3)CC2)cc1 90608521 BDNCJQHLHRTIJN-HXUWFJFHSA-N 427.526 2.027 0 40 IEAB CCNS(=O)(=O)c1ccc(F)c(C(=O)N(CCOCC)Cc2ccc(C(=O)O)o2)c1 95424550 FHSFIRJOVBPLDA-UHFFFAOYSA-N 442.465 2.094 0 40 IEAB CC(=O)NCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 257290332 QCLPUMDIRKBDJJ-GMAHTHKFSA-N 437.540 2.467 0 40 IEAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc(Br)c1OCC 408548220 DYZYZQGHOLEHOL-KPKJPENVSA-N 427.251 2.312 0 40 IEAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCC(O)CC1)c1cccc(F)c1 585262317 WFCHEHAPKLBUNZ-CZYKHXBRSA-N 432.467 2.101 0 40 IEAB COc1cccc2c(C(=O)N(C)Cc3cccc(N4C[C@H](C)CS4(=O)=O)c3)cnn12 1615611166 UITHORJWCBJNBU-HNNXBMFYSA-N 428.514 2.401 0 40 IEAB CCOC(=O)CNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccco1 2394832 SHNURLPCWCZWSW-UHFFFAOYSA-N 435.527 2.488 0 40 IEAB O=C(NCCc1ccc(Cl)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 2726401 MOACLBFMSRUYFC-UHFFFAOYSA-N 426.897 2.473 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 9056879 VXMGFOJPPGFDJM-MHECFPHRSA-N 435.480 2.419 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCNC(C)=O)ccc2OC)cc1 9441890 OAYKICHTFRUYIA-UHFFFAOYSA-N 435.502 2.359 0 40 IEAB CCOc1ccc(-n2nnnc2CNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 9570547 UIRCSHXDLOBWCD-QGZVFWFLSA-N 434.500 2.347 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)cc1 12551557 HOMKLRUZONHBNF-UHFFFAOYSA-N 444.488 2.167 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCN(Cn3c(=O)n(C)c4ccccc43)CC2)cc1 12764714 PYSZTQNRLCLCTO-UHFFFAOYSA-N 428.558 2.427 0 40 IEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1 12975092 LVFOQGOWHSDBMH-MRXNPFEDSA-N 427.530 2.265 0 40 IEAB COc1ccc(C(=O)O)cc1S(=O)(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1 13032930 MZKAQDDHDIKWAO-GOSISDBHSA-N 434.514 2.054 0 40 IEAB C[C@@H](OC(=O)c1cnn(Cc2ccccc2Cl)c1)C(=O)Nc1ncnc2nc[nH]c12 14244155 DGBWKGGGIVQIRA-LLVKDONJSA-N 425.836 2.435 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 15359081 WYPNYMYLKVGDQQ-AWEZNQCLSA-N 436.555 2.429 0 40 IEAB CN1C(C(=O)N2CCN(c3ccc(F)cc3)CC2)=CC(c2ccc(F)cc2)=NS1(=O)=O 15673390 HHKKQMQQYLJPFC-UHFFFAOYSA-N 446.479 2.177 0 40 IEAB COc1ccc(-n2ccn(CC(=O)Nc3ccc(Br)cc3)c(=O)c2=O)cc1 15675235 IEYQBUVCELIYSP-UHFFFAOYSA-N 430.258 2.409 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2cncc(Br)c2)s1 16747635 OHJHSSXLSIJXKO-UHFFFAOYSA-N 447.332 2.037 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)s1 18151441 YNBCABNJMDIOQT-UHFFFAOYSA-N 445.360 2.462 0 40 IEAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@H](c4ccccc4)C3)CC2)Nc2ncccc21 19369937 YOKMECAYEQFNCB-DFBJGRDBSA-N 447.539 2.352 0 40 IEAB Cc1oc2ncn3nc([C@@H](C)NC(=O)CS(=O)(=O)c4ccc(F)cc4)nc3c2c1C 19559529 PBNPLEJHXQLREB-LLVKDONJSA-N 431.449 2.278 0 40 IEAB CN1C[C@@H](C(=O)N2CCC([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)CC1=O 19587173 SUSXODIURCTLPR-AVRDEDQJSA-N 438.503 2.409 0 40 IEAB O=C(c1ccccn1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699864 ZAKGKPXHOFICGX-HXUWFJFHSA-N 447.539 2.273 0 40 IEAB Cc1cnc(NC(=O)CN2CCO[C@]3(CC=CCN(Cc4ccccc4)C3=O)C2)s1 19704440 WKLLUCFGBXRDKY-JOCHJYFZSA-N 426.542 2.450 0 40 IEAB CNc1nc(C2CCN(C(=O)CCN3CCC[C@@H](C)C3)CC2)nc2c1CCN(C(C)=O)C2 19710837 SZXSYZJMAZOXJP-QGZVFWFLSA-N 442.608 2.251 0 40 IEAB Cc1nc([C@@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2Cc1cccc(F)c1 19740437 VFQDXTCOVDYYFN-SFHVURJKSA-N 447.536 2.347 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(Br)s1 21072644 REDLBLHMXDLURL-UHFFFAOYSA-N 445.360 2.462 0 40 IEAB COc1cc2ncn(CCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC 31808974 WXYUTSQZAJRKPV-UHFFFAOYSA-N 436.512 2.148 0 40 IEAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 32983453 CDOMSEVZSPDGFR-GJZGRUSLSA-N 446.529 2.338 0 40 IEAB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O 33853717 VVUOOGJVRQHNJV-LICLKQGHSA-N 425.441 2.255 0 40 IEAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1 35311613 WEOPMPJZMBWZMC-OXJNMPFZSA-N 437.587 2.460 0 40 IEAB C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 36358900 MWRPQIUFVIWUKN-WCBMZHEXSA-N 427.832 2.172 0 40 IEAB CCOC(=O)C1CCN(CC2=C(C(=O)OC)[C@H](c3ccccc3Cl)NC(=O)N2)CC1 67285806 ZSOWRIWIRXDITF-SFHVURJKSA-N 435.908 2.396 0 40 IEAB CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)nc(C)n3[C@H]2CCS(=O)(=O)C2)C1 72301651 RSFVDEBDDGWGPF-ROUUACIJSA-N 446.573 2.083 0 40 IEAB CN1CCN(C2CCN(c3nc(N(C)C)nc4c3CN(Cc3ccccc3)CC4)CC2)CC1 72347605 QGASLQNPOPGZJV-UHFFFAOYSA-N 449.647 2.317 0 40 IEAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 72399044 XMBKWGXXLBEIOA-QLFBSQMISA-N 426.542 2.392 0 40 IEAB COc1ccc(CC(=O)NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)cc1OC 85878491 ZDHQPMIYINIQAU-UHFFFAOYSA-N 441.484 2.098 0 40 IEAB biogenic Cc1ccnc(Nc2cc(N3CCN(C(=O)CNC(=O)c4ccccc4)CC3)nc(C)n2)c1 90607942 DQXWOQMHHQGDFP-UHFFFAOYSA-N 445.527 2.311 0 40 IEAB COc1ccc2ncn(CC(=O)NCCn3ccc4c(OC)cccc43)c(=O)c2c1OC 96125522 AZIDQSISOFKIPE-UHFFFAOYSA-N 436.468 2.193 0 40 IEAB O=C1[C@H]2CCC[C@H]1CC(C(=O)N1CCN(S(=O)(=O)c3c(F)cccc3F)CC1)C2 103010639 WVTKIOXIUYJAFE-KBPBESRZSA-N 426.485 2.193 0 40 IEAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 224903298 CFGUJVQIFKCTKZ-UHFFFAOYSA-N 434.470 2.190 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(CCOc3ccccc3F)n(C)n2)C1 257207438 BHSRJTOVNFFTSG-FQEVSTJZSA-N 440.541 2.141 0 40 IEAB Cc1nc2ccccc2c(=O)n1CC1CCN(C(=O)Cn2cnc(C3CC3)cc2=O)CC1 1848597058 HENOYDJNBWXVRP-UHFFFAOYSA-N 433.512 2.078 0 40 IEAB COC(=O)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 1451310 DSCRGLKHJUVCJK-YVLHZVERSA-N 439.880 2.090 0 40 IEAB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CCN(C(=O)c2ccco2)CC1 3317771 ZPGDHMCICHOXCM-UHFFFAOYSA-N 436.251 2.167 0 40 IEAB CCOc1ccccc1N(CC(=O)NCCC(C)C)C(=O)c1snc(C(N)=O)c1N 6631370 KZZRAHVYPSKZNS-UHFFFAOYSA-N 433.534 2.032 0 40 IEAB O=C(c1ccccc1N1CCCC1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9056333 QAYBSOPUPSVEKO-UHFFFAOYSA-N 427.526 2.101 0 40 IEAB Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n(-c2ccccn2)n1 9402955 BSXXZEGBMOCKBN-UHFFFAOYSA-N 441.513 2.157 0 40 IEAB Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC(C)C)cc3)C2)no1 9525935 FDFKDMASUQGTMU-OAHLLOKOSA-N 429.429 2.083 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc4ccccc4oc3=O)CC2)cc1 9676853 OPJOAOVERDMTFW-UHFFFAOYSA-N 442.493 2.385 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CNC(=O)c1cc(Cl)ccn1 9689978 NFZPMNVJMZHKLT-UHFFFAOYSA-N 439.697 2.291 0 40 IEAB COc1cccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c1 9699539 XSBRQTXIKQDVPY-JLCFBVMHSA-N 431.489 2.314 0 40 IEAB CCCc1cnc2c(c1SCC(=O)NCCc1ccccc1)c(=O)n(C)c(=O)n2C 10216758 QOYCLQJIGZOWLG-UHFFFAOYSA-N 426.542 2.036 0 40 IEAB CC(=O)N1CCC[C@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@H](C)CN(C)C)C1 12162931 RKGBEDJZRZNOIE-NIJIEXERSA-N 432.540 2.404 0 40 IEAB COc1cccc2cc(-c3ccc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)cc3)c(=O)oc12 12408871 UBUCUYABFNNMIQ-INIZCTEOSA-N 443.477 2.151 0 40 IEAB COc1ccc(OC)c(CCC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 13013838 BKTKDTIONOXMLJ-UHFFFAOYSA-N 426.469 2.350 0 40 IEAB COCc1c(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)oc2ccccc12 13055781 WNQDKFNEFDYYBZ-HNNXBMFYSA-N 437.514 2.408 0 40 IEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 13163458 KHOIJJCLBKJPED-HSZRJFAPSA-N 434.452 2.023 0 40 IEAB C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1sccc1C(N)=O 16828649 VEQSUDPLGBHLAR-LLVKDONJSA-N 432.454 2.152 0 40 IEAB CCOc1ccc(C(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3nc(C)nc(C(N)=O)c32)cc1 19532593 RDDSHQNXWAFYPP-UHFFFAOYSA-N 449.442 2.410 0 40 IEAB NC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cnc(N3CCOCC3)nc2)CCO1 19697872 KIEFKGBUCLCHSF-KRWDZBQOSA-N 439.541 2.200 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)N(C)C2)cc1 20464442 NIKHZXVBRUKCGG-RDJZCZTQSA-N 442.497 2.497 0 40 IEAB biogenic,in-vitro COc1ccc(CCNC(=O)Cn2ncc(Br)c(Br)c2=O)cc1 24037516 ICOPRBRRGBKDHQ-UHFFFAOYSA-N 445.111 2.136 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)Oc2ccccc21 26112579 XEINMNMXWZEBPC-HXUWFJFHSA-N 433.505 2.092 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 32957434 AJISQVCPYZDIRP-QFBILLFUSA-N 444.528 2.335 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccs2)CC1 38490397 LVEMHTBUPNMWDB-QZTJIDSGSA-N 432.567 2.386 0 40 IEAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1F 44891646 NQIWVYKMBCTQCO-UHFFFAOYSA-N 437.468 2.217 0 40 IEAB CS(=O)(=O)NC[C@H]1CCCCN1Cc1nnc(-c2ccccc2Br)o1 58919325 DZORYWUUHKYDAO-GFCCVEGCSA-N 429.340 2.403 0 40 IEAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN(C)S(=O)(=O)c2ccccc2)cc1C 65567320 BTGADPBLWFODKO-IBGZPJMESA-N 447.582 2.464 0 40 IEAB Cc1cccnc1Nc1cccc([C@@H]2CCCN(CC(=O)N3CCC(C(N)=O)CC3)C2)n1 72376021 OBMDANWUYMDBES-LJQANCHMSA-N 436.560 2.432 0 40 IEAB CN1CCN(c2nccc(CN3CCC(c4cc(O)nc(-c5ccccn5)n4)CC3)n2)CC1 72392857 SAAWAQAHXZEJHY-UHFFFAOYSA-N 446.559 2.166 0 40 IEAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NS(=O)(=O)CCN2C(=O)CCCC2=O)C1 77100741 CTULPNAGINPWBW-DLBZAZTESA-N 437.518 2.005 0 40 IEAB COc1ccc(-n2nncc2CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1F 90590548 HXQQGZPRSKLXLK-UHFFFAOYSA-N 439.447 2.102 0 40 IEAB CCCn1c(=O)c2sccc2n2c(=O)n(CC(=O)c3ccc(OC)c(OC)c3)nc12 96321852 IEFZVPOYUKOLFD-UHFFFAOYSA-N 428.470 2.183 0 40 IEAB COc1ccccc1N1CCN(Cc2coc(O)c(CN3CCSCC3)c2=O)CC1 101374896 IQSRZDJMXMSJMK-UHFFFAOYSA-N 431.558 2.225 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223027753 AWMGWRSIWSBFKK-FQEVSTJZSA-N 431.558 2.314 0 40 IEAB CCN1CCN(CCCNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 249680124 AIQUNPWMCHPCJV-KLGLLFHNSA-N 440.588 2.085 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccccc1I 408622355 OZTMPPVSVUZSJO-FDJUTITPSA-N 448.260 2.283 0 40 IEAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1 408654038 JEBHPIQIMPDCGM-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 409312203 KCVDXSPCWFYOLA-UHFFFAOYSA-N 439.921 2.121 0 40 IEAB CCOC(=O)c1c(NC(=O)CN2CCO[C@@H](Cc3ccccc3)C2)sc(C(N)=O)c1C 539576807 CHFDGNHKUCQNOP-INIZCTEOSA-N 445.541 2.214 0 40 IEAB CCOC(=O)c1c(NC(=O)CN2CCO[C@H](Cc3ccccc3)C2)sc(C(N)=O)c1C 539576808 CHFDGNHKUCQNOP-MRXNPFEDSA-N 445.541 2.214 0 40 IEAB COc1ccc(/C=c2\sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)cc1 2445389 ZUJZDOJMHLGUPE-MFOYZWKCSA-N 425.466 2.400 0 40 IEAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1 4554227 RDNVEYCMFCJACX-MRXNPFEDSA-N 427.592 2.247 0 40 IEAB COC(=O)/C=C(\C(=O)OC)c1ccccc1[C@H](C(=O)OC)c1ccccc1CC(=O)OC 5395888 FEHZWAUEBANTQK-PZNLSKEWSA-N 440.448 2.436 0 40 IEAB CCOCCCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc12 6195376 JOCMDKFQVJIUAL-UHFFFAOYSA-N 427.480 2.380 0 40 IEAB O=C(CN(C(=O)CNC(=O)c1cccs1)c1ccc2c(c1)OCCO2)NC1CCCC1 8687137 BCOLABAJKNLYIM-UHFFFAOYSA-N 443.525 2.341 0 40 IEAB CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3c(F)cccc3F)c2n1 8947230 UTUPHEHIZLMPPF-UHFFFAOYSA-N 434.472 2.093 0 40 IEAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(N2CCCC2=O)c1 9379192 WFCTVJJHSUIOMO-UHFFFAOYSA-N 436.512 2.361 0 40 IEAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9570969 MGQFETFBYQPPNJ-NSHDSACASA-N 432.818 2.263 0 40 IEAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O 9762622 FPCWDOBPEWOEPW-DEOSSOPVSA-N 434.496 2.389 0 40 IEAB COC(=O)c1cc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc(C(=O)OC)c1 10324697 AGXXENYKAXVIAF-LBPRGKRZSA-N 446.481 2.223 0 40 IEAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NC[C@H]1CCCO1 12233372 GYTRUJUUEBRDOT-LSDHHAIUSA-N 429.477 2.053 0 40 IEAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCO[C@H](COc4ccccc4)C3)c(Cl)cc21 12428005 QHOURWPBTQDXNI-AWEZNQCLSA-N 438.889 2.253 0 40 IEAB O=C(Nc1cccnc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 12544239 DAMTXURKLVUSAZ-LJQANCHMSA-N 439.493 2.381 0 40 IEAB NC(=O)c1cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)n2)c[nH]1 12766747 KAXRGOLNODDTGG-UHFFFAOYSA-N 426.426 2.486 0 40 IEAB O=C(NCCc1ccccc1F)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12944273 OLYDJMVWRNGJHE-UHFFFAOYSA-N 427.448 2.363 0 40 IEAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@@]3(CCCc4ccccc43)C1=O)OCO2 13014029 ZVOPOXMUMMCMCW-HSZRJFAPSA-N 435.436 2.340 0 40 IEAB Cc1ccccc1/C=C/C(=O)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164585 SACWOSDYPGGGNR-RGPPVUSESA-N 446.551 2.074 0 40 IEAB O=C(CCCC(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccn2)CC1 18180053 FDBHOINDVHOGMZ-UHFFFAOYSA-N 439.535 2.388 0 40 IEAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H](C)CN3CCOCC3)C1)N2 19127232 YTRXWUABUZDPQG-XOYOTBSWSA-N 425.524 2.389 0 40 IEAB CCN(CC)C(=O)CN1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702639 QNNLSMOELCQNST-QGZVFWFLSA-N 446.573 2.010 0 40 IEAB Cc1nc(C2CCN(S(=O)(=O)N(C)C)CC2)nc2c1CCCN2Cc1ccccn1 19705742 OIVNHCDWMYIUSV-UHFFFAOYSA-N 430.578 2.119 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(CC(=O)Nc1ccc(F)cc1)CC2 19710496 HJZGZNXRWKWVOR-UHFFFAOYSA-N 440.523 2.380 0 40 IEAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)C1 19741452 CTRPATPAIMQUOV-KRWDZBQOSA-N 435.594 2.240 0 40 IEAB CN(CC(=O)N1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1)Cc1ccccn1 19762545 YRAMFWBNOCBFIK-HSZRJFAPSA-N 447.539 2.364 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccccc2F)cc1 19943155 CTURAPXIFAKOPG-UHFFFAOYSA-N 449.548 2.168 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H]2C[C@@H](c3nc(Cc4ccccc4)no3)N(C)C2)cc1 20464270 OZOLALRXLCGJJV-LPHOPBHVSA-N 428.514 2.393 0 40 IEAB biogenic,in-vitro CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 22063914 WYAMNJUPQNEGOI-KJWQXZETSA-N 436.504 2.449 0 40 IEAB biogenic C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[C@H]2Sc3ccccc3NC2=O)C1=O 23950018 KEQHCQIUKMZXFY-VGSWGCGISA-N 438.509 2.464 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1ccc2c(c1)OCO2 24381106 JBMSUBZIUWNZBJ-KRWDZBQOSA-N 436.555 2.174 0 40 IEAB O=C(c1ccc(Br)s1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 27046805 OXOUDSPYDMDEKK-UHFFFAOYSA-N 436.397 2.389 0 40 IEAB CN(CC(=O)NCc1ccco1)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 27388582 FCZHEIXEMLATEM-UHFFFAOYSA-N 447.538 2.208 0 40 IEAB CC[C@]1(C)Cc2nc3sc4c(=O)n(CC(=O)N5CCOCC5)cnc4c3cc2CO1 32093202 BZONANAIUNPBBV-OAQYLSRUSA-N 428.514 2.106 0 40 IEAB CCN(C(=O)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 36593669 DUUCZENNTGIQOI-SQGVVCSDSA-N 434.539 2.315 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(-n3ccnc3)cc2)Oc2ccc(Cl)cc21 44932706 HNRPKXDKWNIBTH-IBGZPJMESA-N 446.916 2.369 0 40 IEAB CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCN(CC)CC1 64837222 HIBKZYCSYQZJQW-UHFFFAOYSA-N 430.574 2.204 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)NC[C@H]3CCCO3)CC1)CC2=O 72327714 FBCPUZNFSYFUEH-YAEBDLLGSA-N 430.501 2.095 0 40 IEAB CCCn1c(CN2CCC(c3nnc[nH]3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 95964372 YUAACTYTDQOQBK-UHFFFAOYSA-N 431.566 2.194 0 40 IEAB Cc1cccc(C)c1-n1nnnc1C1(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)CCCCC1 102790951 KONMQGRNBLAWEG-SVHPSLOZSA-N 449.511 2.305 0 40 IEAB Cc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1N(C)S(C)(=O)=O 222453978 QLOKVRFUFJXHBX-UHFFFAOYSA-N 425.532 2.039 0 40 IEAB CC(=O)NCCCOc1ccc(CN2CCOC[C@@](O)(COc3ccc(F)cc3)C2)cc1 585280236 KFSFLSXRGFRDLY-XMMPIXPASA-N 446.519 2.373 0 40 IEAB CC(=O)N1CCC(CC(=O)N[C@H](CO)Cc2ccccc2)(N2Cc3ccccc3C2=O)CC1 1565524595 OVXUNRSEEPFOBW-QFIPXVFZSA-N 449.551 2.133 0 40 IEAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cc(F)ccc5F)C[C@@H]4C3)ncnc21 1888940404 AKOQNWDIVOBJOW-GJZGRUSLSA-N 448.499 2.022 0 40 IEAB CC(C)[C@H](N)COc1ccc(Cl)cc1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C 2037879533 BVCLORUXQYVNEG-MJEQTWJJSA-N 427.929 2.046 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 667280 TXQVQPSKCVXJKG-UHFFFAOYSA-N 439.559 2.365 0 40 IEAB CN(C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)C1CCCCC1 3293374 LFWAPNUUBLZBSZ-QGZVFWFLSA-N 446.997 2.365 0 40 IEAB COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1 6198528 AKFLVWQIGYPFFY-LJQANCHMSA-N 432.590 2.344 0 40 IEAB C[C@@H]1CN(C2CCCCC2)c2nc3c(c(=O)n(CCN4CCCCC4)c(=O)n3C)n2C1 8778521 ZYLDVQZIUCRGSV-QGZVFWFLSA-N 428.581 2.171 0 40 IEAB C[C@H]1Oc2ccc(NC(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)cc2NC1=O 8861016 QAMYEKRRGKEZSX-GFCCVEGCSA-N 435.527 2.433 0 40 IEAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccccc2Cc2ccccc2)n(C)c1=O 9219496 YRKNFMGKWKRUTM-UHFFFAOYSA-N 431.496 2.443 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)cc1 9245284 CKYZSTKYWXDCOO-JLHYYAGUSA-N 428.558 2.474 0 40 IEAB O=C1NC(=O)[C@@H](N(CCN2C(=O)CSC2=O)c2ccc(Br)cc2)S1 9338828 SNBNDNIDZZXGRS-LBPRGKRZSA-N 430.305 2.260 0 40 IEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1 9493216 PBFBBTHVCFPUHJ-UHFFFAOYSA-N 434.452 2.477 0 40 IEAB COc1cc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccccc4F)c3n2)cc(OC)c1OC 9738893 GQBHTPYVPLQZAU-UHFFFAOYSA-N 439.403 2.040 0 40 IEAB O=C(COc1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 11002720 CSGNVVKFDVEZLL-UHFFFAOYSA-N 431.558 2.484 0 40 IEAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 12029003 NUNXSWZKLCZAHV-SFHVURJKSA-N 446.529 2.401 0 40 IEAB C[C@@H]1CN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)C[C@@H](C)O1 12233300 HAPLPJWOJVSQND-IOASZLSFSA-N 443.504 2.394 0 40 IEAB Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@@H](C)C(=O)NCc1ccccc1 12472655 SXBWSWKGRHFSST-AWEZNQCLSA-N 437.525 2.484 0 40 IEAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1 12633779 PZAOMIGMSDTYOJ-UHFFFAOYSA-N 445.541 2.263 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O 12727603 ABVDGHBWOQVZNM-IIAWOOMASA-N 444.351 2.103 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCNC(=O)NC2CCCCC2)s1 12735206 WWLDEGNFOKNNBF-UHFFFAOYSA-N 444.623 2.417 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(CN3CCCC3=O)c2)C1=O 14183355 HGVIFUSFFRTCSX-XMMPIXPASA-N 434.496 2.397 0 40 IEAB CCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 15781490 MWDZLGBPHPDJJZ-UHFFFAOYSA-N 438.527 2.361 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CCn3nc(O)c4ccccc4c3=O)CC2)c(F)c1 16111467 HBGAKZXVQZTPAA-UHFFFAOYSA-N 438.459 2.183 0 40 IEAB O=C([C@@H]1CCCO1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349268 KHXUNOCEVSQHEM-UXHICEINSA-N 426.492 2.310 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ncccc3C(=O)NCc3ccccc3)C2)c1 19709310 BFZFBJWSVGOCSK-SFHVURJKSA-N 439.541 2.313 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)cc(OC)c1 20762021 OQFYXPCQAZEJIS-HKUYNNGSSA-N 448.545 2.379 0 40 IEAB biogenic CCc1cc(=O)oc2cc(OCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)ccc12 21586384 PFIPSNPGPNNJDG-UHFFFAOYSA-N 444.509 2.301 0 40 IEAB COc1cc2[nH]c3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc3c2cc1OC 23126005 JXDTWQHHBOLJRE-UHFFFAOYSA-N 447.495 2.244 0 40 IEAB CCN1CCN(C(=O)[C@@H](C)Sc2nnnn2-c2ccc(OC(F)(F)F)cc2)CC1 24601933 NCXJDCVHYHHWPV-GFCCVEGCSA-N 430.456 2.206 0 40 IEAB CCCn1c(N2CCN(C(=O)CSc3ccccc3)CC2)nc2c(C)nn(C)c2c1=O 28557079 SQFJPYIZCYROQT-UHFFFAOYSA-N 440.573 2.289 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2)cc1)c1ccccc1 44871695 MHAKZYTZCIAICM-UHFFFAOYSA-N 430.574 2.212 0 40 IEAB Cc1cc(C)c(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1C 70924493 GFDAIVHGCSXWCI-UHFFFAOYSA-N 437.587 2.386 0 40 IEAB O=C(c1cnccn1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72348007 WYUWHPGIGROAOC-SFHVURJKSA-N 431.500 2.185 0 40 IEAB O=C(NCCN1CCOCC1)c1cn(-c2cc(F)c(F)c(F)c2)c(=O)c2ccccc12 95472996 YBFUAPXWFUPYBZ-UHFFFAOYSA-N 431.414 2.470 0 40 IEAB CN(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1ccccc1 223030549 MMIPNNNKHYZSHS-UHFFFAOYSA-N 427.482 2.469 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCn2nccc2C)CC1 257335403 YJZJREAROQIUAQ-CQOQZXRMSA-N 426.561 2.418 0 40 IEAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3ccccc3F)C[C@@H]2N1Cc1ccccn1 306123091 AEIBJVAPAXNISL-PMACEKPBSA-N 440.500 2.452 0 40 IEAB CC[C@H](C)[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23 514288194 UUHMOOKGLMRCGV-IELAKOSYSA-N 444.491 2.159 0 40 IEAB biogenic,in-vitro COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)C1=O 1587732136 KWQFVSGEFSRIJN-UKRRQHHQSA-N 431.445 2.021 0 40 IEAB COc1cc([C@H]2c3cc4c(cc3O[C@]3(OC)COC(=O)[C@H]23)OCO4)cc(OC)c1OC 1640577 YHXBZXBIGHSHTP-CNNODRBYSA-N 430.409 2.481 0 40 IEAB O=C(CSc1nnc(CN2CCCCCC2=O)o1)N1CCN(c2ccccc2)CC1 3495878 VFIFXECHKAJFAP-UHFFFAOYSA-N 429.546 2.413 0 40 IEAB CSCC[C@@H](NC(=O)CCCCCNC(=O)N1CCn2c1nc1ccccc12)C(=O)O 8792081 HCWIYMYDYVRPTH-MRXNPFEDSA-N 447.561 2.449 0 40 IEAB biogenic O=C(NCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12)c1ccc(-c2ccccc2)cc1 9130683 LYQHMNIEFLIFLT-UHFFFAOYSA-N 429.524 2.470 0 40 IEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](NC(=O)c1ccccc1)C(C)C 9223386 AFIKKFPKTCSPOR-NRFANRHFSA-N 436.512 2.353 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N1 9426346 AQADROQZXLMIDD-LJQANCHMSA-N 439.491 2.148 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 9435161 LEGXKDBOXVHHQL-ITICKHJUSA-N 435.505 2.202 0 40 IEAB COCCn1c(CCC(=O)Nc2ccc(C)cc2C)nc2c1c(=O)[nH]c(=O)n2CC(C)C 9508423 FWCWUDDUCZOGNY-UHFFFAOYSA-N 441.532 2.377 0 40 IEAB CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 9593040 XXBHLXPWMNRUBG-CQSZACIVSA-N 444.431 2.439 0 40 IEAB COc1cccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 9743345 ZKLORVTXIWVLPQ-SFHVURJKSA-N 445.541 2.383 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O 9846577 RQESPLHRYGECOR-HSZRJFAPSA-N 438.436 2.269 0 40 IEAB O=C(CNC(=O)c1ccccc1F)NCc1ccc(S(=O)(=O)N2CCCCC2)s1 9979622 ZSCZTYVFQDGYKZ-UHFFFAOYSA-N 439.534 2.108 0 40 IEAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 10021928 JWCFGWOCSLPGGD-ZDUSSCGKSA-N 429.454 2.481 0 40 IEAB O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 11694057 MGISWSXFOHCJLX-UHFFFAOYSA-N 425.416 2.281 0 40 IEAB O=C(c1cc(N2CCCCS2(=O)=O)ccc1Cl)N1CCN(c2ncccn2)CC1 12195573 BWZJINRCJYZVKO-UHFFFAOYSA-N 435.937 2.022 0 40 IEAB Cc1sc2ncnc(SCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c2c1C 12569631 SRDJORGVLKCYSQ-UHFFFAOYSA-N 433.603 2.167 0 40 IEAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12914443 VWKDRPSIEYRBOW-JTQLQIEISA-N 437.827 2.463 0 40 IEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 13017818 YODCJNHQJFSDMR-SFHVURJKSA-N 437.496 2.294 0 40 IEAB C[C@H]1Cc2cc(C(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc2N1S(C)(=O)=O 14084944 ZLRKDUOKZJVDFC-RCDICMHDSA-N 441.509 2.047 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2F)cc1 14232610 GTALBBUOSBSENZ-NEPJUHHUSA-N 425.457 2.467 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 14233197 QXPYYZXDAOTZCO-DENIHFKCSA-N 443.569 2.239 0 40 IEAB CCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16021914 AEIZHXWFYSWLLE-FDGPYGQJSA-N 437.471 2.295 0 40 IEAB C[C@H](OC(=O)[C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)C(=O)NC1CCCCC1 19628557 MRJACJKWKABRPE-HOTGVXAUSA-N 447.557 2.228 0 40 IEAB COc1ccc(CN(C)CC(=O)N2CCC[C@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 19755960 IRDBAZYTRRVNTF-FQEVSTJZSA-N 425.533 2.291 0 40 IEAB CCOC(=O)Nc1cccc(OCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c1 21565019 MOKBWQOGPAQGTL-UHFFFAOYSA-N 435.502 2.201 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 23751543 WPRUPQPGEPRAPM-FATZIPQQSA-N 447.532 2.465 0 40 IEAB NC(=O)c1c(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)sc2c1CCCC2 32089708 PJYZFGYSISBPKA-UHFFFAOYSA-N 432.523 2.478 0 40 IEAB O=C(COc1coc(CN2CCC(Cc3ccccc3)CC2)cc1=O)N1CCOCC1 36357698 BRRGAXVYNOSRBG-UHFFFAOYSA-N 426.513 2.332 0 40 IEAB COc1ccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@H](C)C4)nccn3c2=O)c(OC)c1 49400187 YKQONQPXDIZMBL-GJZGRUSLSA-N 440.504 2.029 0 40 IEAB COc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3Cl)CC2)cc1 59483675 WQUGVCKFTZXOLT-UHFFFAOYSA-N 430.936 2.221 0 40 IEAB Cn1ccnc1[C@](O)(CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1)C(F)(F)F 71794552 NQYXHGNIZICQHO-LJQANCHMSA-N 430.471 2.201 0 40 IEAB Cc1nc2cc(-c3nccn3C)nn2c(N2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)c1C 72338518 ZGVUORBMDQZILF-NWMVZANLSA-N 432.532 2.499 0 40 IEAB O=C(c1nonc1O)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352347 XOPQMJMKANMWRT-LBPRGKRZSA-N 428.470 2.092 0 40 IEAB CN1CCN(C(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)CC1 85876697 MQUGPEXLWAOEMD-UHFFFAOYSA-N 427.508 2.348 0 40 IEAB biogenic O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)N1CCCCCC1 101466909 YHNSSBQQRFGNOG-KDURUIRLSA-N 435.590 2.290 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 245020867 MKVWSOJYTHICHU-HXUWFJFHSA-N 430.507 2.207 0 40 IEAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(c3ncccn3)CC2)Oc2ccccc21 247955020 UYHFJLMGIQWKSW-JKWQRXEQSA-N 433.512 2.080 0 40 IEAB Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)c4ccccn4)C3)nc2n(Cc2ccccc2)c1=O 257304338 SLDGSIAPRMJXLS-GOSISDBHSA-N 441.491 2.168 0 40 IEAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccn(C)n3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 306124965 CDKVPTNXXUZBPW-NTKDMRAZSA-N 447.543 2.251 0 40 IEAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(Cc3ccc(F)cc3)CC2)C1 306133172 MDZGNHPJDICFNZ-XMMPIXPASA-N 439.535 2.406 0 40 IEAB CCc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCCOC)S(C)(=O)=O)cc1 408619818 NSODSPTZTNCUIY-UHFFFAOYSA-N 447.557 2.420 0 40 IEAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(C(=O)c2cccn2C)CC1 590122098 KKKQXWMGUFIFRK-JOCHJYFZSA-N 436.556 2.309 0 40 IEAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 1848759987 NJVVDMJQSAEKEO-UHFFFAOYSA-N 437.953 2.121 0 40 IEAB O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1ccncc1)C2 2037818650 DZCGJLIUSYBNJP-RUZDIDTESA-N 448.523 2.189 0 40 IEAB Cc1nc2ccccn2c1CN1CCO[C@@]2(CO[C@H](C(=O)NCc3ccc(F)cc3)C2)C1 2056225911 FKRVPHDTJUUMSR-XUZZJYLKSA-N 438.503 2.458 0 40 IEAB COC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=S)Nc3ccc(C)cc3)CC2)cc1 8687081 MCEFQFMWPQMLLG-UHFFFAOYSA-N 440.525 2.261 0 40 IEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(=O)Nc2cccc(C)c2C)C1=O 8891721 DVJLJRFBMRNWKW-HSZRJFAPSA-N 440.475 2.355 0 40 IEAB Cc1ccccc1-n1cnnc1SCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O 9056368 BAFMJGYSLCFYHO-UHFFFAOYSA-N 428.518 2.200 0 40 IEAB O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)NCc1ccco1 9713912 HFCSVQQPJRUYRI-UHFFFAOYSA-N 447.495 2.433 0 40 IEAB CN(Cc1ccccc1N1CCOCC1)C(=O)CCn1nc(-c2cccs2)oc1=O 12532799 RFXSBLBUJDTPEG-UHFFFAOYSA-N 428.514 2.450 0 40 IEAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccco1 12602564 USGVVKAVNFJEGK-JRSUCEMESA-N 436.556 2.001 0 40 IEAB biogenic,in-vitro CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 13004882 DPTGZSCEALXUMN-CHWSQXEVSA-N 425.407 2.278 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1 13533097 YQERQOYOVLEQDP-UHFFFAOYSA-N 439.449 2.291 0 40 IEAB COc1cccc(-c2noc(CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)n2)c1 16047074 GCBWMPCAABYGIU-FQEVSTJZSA-N 436.468 2.229 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1cccc2nsnc12 19078066 ZXTRXUBIJBZVHV-SFHVURJKSA-N 437.481 2.402 0 40 IEAB COc1cc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ncccn2)ccc1OCC(N)=O 20733492 QBYWMVCJRFBVMP-GOSISDBHSA-N 440.485 2.268 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 21351683 AGXVIFAZJDLQHQ-AWEZNQCLSA-N 429.502 2.007 0 40 IEAB O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134411 NOLVHLPZSJDOGS-UHFFFAOYSA-N 430.871 2.178 0 40 IEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(CN2CCCC2)cc1 24115671 IXZJIHWDOLTBNB-UHFFFAOYSA-N 427.526 2.133 0 40 IEAB CN1CC(=O)N(CC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O 24529371 QMCRGGMYTJNSGT-UHFFFAOYSA-N 442.466 2.092 0 40 IEAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C[C@@H](C)O1 30666466 SKMQZPNMBLPVRS-CHWSQXEVSA-N 436.361 2.105 0 40 IEAB O=C1CN(S(=O)(=O)c2cccc(C(=O)NCC3(c4ccccc4)CCCC3)c2)CCN1 40058926 AARZDBGUKMNPFB-UHFFFAOYSA-N 441.553 2.049 0 40 IEAB CC(C)CN1C[C@@H](C(=O)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)CC1=O 40122055 CJQKCBPCYVPGRK-INIZCTEOSA-N 425.451 2.494 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3cccnc3-n3cccn3)CC2)c1 48249735 XWGDAZZROCIJBA-UHFFFAOYSA-N 449.511 2.453 0 40 IEAB COc1cccc(CNC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(Cl)cc2)C3)c1 49549738 JPPSRYSWGWXNRJ-UHFFFAOYSA-N 427.848 2.012 0 40 IEAB COc1cc(OC)c(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c(C(=O)O)c1 89534520 YNEGMRGVSOEQMM-UHFFFAOYSA-N 426.838 2.207 0 40 IEAB O=C(CCn1cnc2ccccc2c1=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96104437 IYLJJQQGOIBOKO-UHFFFAOYSA-N 431.901 2.125 0 40 IEAB CCc1ccc(NC(=O)N2C[C@H]3C[C@H]4[C@](C2)(CN(Cc2ccncc2)S4(=O)=O)O3)cc1 96145994 YWPVWFAOCVPGTE-URVUXULASA-N 442.541 2.233 0 40 IEAB CC(C)OC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 101262863 ZGAHQIAOQBOTOK-MQFSHEFBSA-N 436.555 2.007 0 40 IEAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2C[C@@H](C)Oc3cc(C)c(Br)cc32)C1=O 107151532 DJTMULIZBKBPEN-ADLMAVQZSA-N 439.310 2.097 0 40 IEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)N1CCCCC1 219664631 OKBNMHCTGJHMJB-UHFFFAOYSA-N 441.509 2.486 0 40 IEAB Cc1cccc(OCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C 223930570 QRASVJJAHOUXFR-QGZVFWFLSA-N 448.541 2.424 0 40 IEAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)c2ccccc2CN2CCOCC2)C1 257232257 GJZUULNNCLKBDR-VWLOTQADSA-N 441.547 2.367 0 40 IEAB Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)no1 257290271 QCFRKCXWJBFSBS-FIXSFTCYSA-N 426.561 2.202 0 40 IEAB CC(=O)N[C@H]1CC[C@](CNC(=O)Cc2c(C)nn(C)c2C)(c2ccccc2)CC[C@@H]1O 257328947 XHSPWZNAQAUDTD-FIXSFTCYSA-N 426.561 2.073 0 40 IEAB O=C(O)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1 614751329 SPPIVEMFXOWSMI-UHFFFAOYSA-N 439.449 2.411 0 40 IEAB CC(C)CCN1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CNS(C)(=O)=O)C2 643567794 WSKOUZFYTOUSAK-UXHICEINSA-N 436.622 2.259 0 40 IEAB COc1cc(CC(CC(=O)c2ccc3c(c2)OCO3)(C(=O)O)C(=O)O)cc(OC)c1OC 1667072 TUGBOVAAQXONAD-UHFFFAOYSA-N 446.408 2.412 0 40 IEAB COc1ccc(CC(=O)NN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)C3(C)C)C2=O)cc1 2129410 GHBWJNVADOUNKN-FQEVSTJZSA-N 446.507 2.281 0 40 IEAB biogenic NC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 9583826 JBTUORLMSGACKV-UHFFFAOYSA-N 430.269 2.066 0 40 IEAB COc1ccc(CN(C)C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(OC)c1 9584918 DOFZVAVMTOSDSO-INIZCTEOSA-N 426.469 2.487 0 40 IEAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1=O 9591618 JWDUUVNMCQTUTE-SFHVURJKSA-N 448.361 2.285 0 40 IEAB Cc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2cccc(C)c2)CS(=O)(=O)C3)cc1 10250545 ZELLUORPGMPWDQ-UHFFFAOYSA-N 438.509 2.172 0 40 IEAB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)Nc1ccc2c(c1)OCO2 10255266 DOGPVPHMVXIHGD-CQSZACIVSA-N 429.498 2.371 0 40 IEAB COC(=O)c1ccc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)c(=S)[nH]c2c1 12415781 SGSGAXMEXKNMJS-UHFFFAOYSA-N 438.509 2.194 0 40 IEAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c3ccccc3)ccc21 12750680 IFTVLJPHWVDFIC-OAHLLOKOSA-N 444.509 2.079 0 40 IEAB O=C(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2ccccc2c1 12890327 IAOLKMWSLYRXLZ-UHFFFAOYSA-N 437.521 2.103 0 40 IEAB O=C(CN(Cc1cccs1)C(=O)CCC(=O)Nc1nccs1)NC[C@@H]1CCCO1 13501972 IFXPENBAEQGQBL-AWEZNQCLSA-N 436.559 2.247 0 40 IEAB CCOc1ccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 13565831 NMNNQPRBWXMXGC-UHFFFAOYSA-N 435.521 2.194 0 40 IEAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13573531 AWQDYKVTPRVKJN-XVOHXHPPSA-N 437.471 2.293 0 40 IEAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NC3CC(C)(C)NC(C)(C)C3)[C@H]4C2=O)cc1 13625456 KTAJWCMWTBOYDJ-GFTAFNIFSA-N 439.556 2.407 0 40 IEAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1cccc(C(=O)NC2CC2)c1 14068178 ZYFDJEKZCMMPAM-UHFFFAOYSA-N 440.504 2.345 0 40 IEAB O=C(CN1C(=O)c2cccc3cccc1c23)N1CCN(S(=O)(=O)c2ccccc2)CC1 14737528 IHJCQCDFHXSNLS-UHFFFAOYSA-N 435.505 2.333 0 40 IEAB O=C(CN1CCc2ccccc21)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 16480334 IXIFMLPQHPUVSW-UHFFFAOYSA-N 435.933 2.362 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N4C[C@@H](C)C[C@@H](C)C4)CC3)c(=O)c2c1C 19561417 HUWRGZZDAIKLPP-IYBDPMFKSA-N 446.617 2.406 0 40 IEAB CCS(=O)(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)C3)C1 19744383 XPFJMCPXZYVLFH-QGZVFWFLSA-N 444.557 2.412 0 40 IEAB COCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009406 ISRMIMQUOIGNRX-KRWDZBQOSA-N 440.949 2.391 0 40 IEAB CCCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2)cc1 20020853 UJLUVGSHGHJNHS-UHFFFAOYSA-N 436.530 2.477 0 40 IEAB COC(=O)C1(NC(=O)CN2C(=O)COc3cc(Br)ccc32)CCCCC1 31751542 CFWCTFVMKBZXKE-UHFFFAOYSA-N 425.279 2.167 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccncc1)[C@H]1CC(=O)N(c2ccccc2)C1 31818597 CYRLAGCATAUKCP-JTHBVZDNSA-N 442.519 2.478 0 40 IEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O)(C3)C2 32776031 ZJNFQBCJGFGPSD-XOJLIULCSA-N 433.530 2.192 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(OC)cc3OC)C2=O)cc1 39570445 HNGZSYQUSZWFKK-QHCPKHFHSA-N 441.484 2.138 0 40 IEAB CCOC(=O)c1sc(NC(=O)N2CCC[C@H](CNC(N)=O)C2)c(C(=O)OCC)c1C 40149932 VTTQXQSFKPFAMZ-GFCCVEGCSA-N 440.522 2.322 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 45367017 SYAJQMSNCWYZCA-NUUGVNSMSA-N 445.523 2.276 0 40 IEAB CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(OCC(N)=O)cc2)CC1 58439604 BJQUVUDEOXOJBF-MRXNPFEDSA-N 428.508 2.323 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1Br 63459510 LWASTXQIZSWBPZ-UHFFFAOYSA-N 441.303 2.260 0 40 IEAB CCOC(=O)c1sc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccc3)CC2)nc1C 71335631 ZMLOXRYULGWWRN-OAHLLOKOSA-N 445.545 2.487 0 40 IEAB COC[C@](C)(NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(F)(F)F 72303351 QQPPKRMXTODTCV-INIZCTEOSA-N 444.422 2.449 0 40 IEAB CCN1C[C@]23C=C[C@H](O2)[C@H](C(=O)N2CCC(c4nc(C)c(C(C)=O)s4)CC2)[C@@H]3C1=O 72340169 DJQWXXVMMUMIOI-FSTVOOFJSA-N 429.542 2.162 0 40 IEAB C[C@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394920 XVGAMVDAZYBJSP-WMZOPIPTSA-N 429.492 2.061 0 40 IEAB COc1ccccc1CN(CCO)C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 89885287 GWLMHILWFYIJRX-UHFFFAOYSA-N 436.530 2.025 0 40 IEAB CN1CC[C@@]2(CN(c3ncccn3)CC23CCN(C(=O)NC2CCCCC2)CC3)C1=O 96144278 ZRFJIAWVLMKBPN-HSZRJFAPSA-N 426.565 2.270 0 40 IEAB CCN1CCN(c2ccc(C)nc2)C(=O)C12CCN(S(=O)(=O)c1cccc(F)c1)CC2 96230365 YVDUUZCORJERNU-UHFFFAOYSA-N 446.548 2.421 0 40 IEAB COc1ccc2c(c1)O[C@@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)N[C@@H]1CN3CCC1CC3)NC2=O 100181699 JZPKEUKJIURZGC-RMZDWJAZSA-N 425.529 2.160 0 40 IEAB CN(C)C(=S)/N=c1/ss/c(=N/C(=S)N(C)C)n1-c1ccc(N(C)C)cc1 104276767 GUMQXHUNOMRTJY-YTEMWHBBSA-N 426.662 2.161 0 40 IEAB COCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 108921218 BBAHSLZDXVQGNV-UHFFFAOYSA-N 426.922 2.302 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)s1 222808189 QQWXEKPDVWOLQJ-UHFFFAOYSA-N 446.514 2.012 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 224542584 DCVVMWZOTYCBPM-ZDUSSCGKSA-N 436.486 2.076 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225192525 RKRSPFJAFBWLRB-GOSISDBHSA-N 431.558 2.233 0 40 IEAB COC(=O)c1cc(NC(=S)N2CCN(Cc3ccccn3)CC2)cc(C(=O)OC)c1 225225768 XQRVIHXRKRZHSN-UHFFFAOYSA-N 428.514 2.169 0 40 IEAB CNC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)c4ccnc(NC)c4)CCO3)n2)cn1 257253883 KAQUBIKWEPJJPV-FQEVSTJZSA-N 432.484 2.154 0 40 IEAB CN1CCC(C(=O)N2CC[C@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)CC1 257293542 QPZGFXZVTKISMN-KRWDZBQOSA-N 442.585 2.426 0 40 IEAB COC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408618309 GFSQKLHYXSAYND-INIZCTEOSA-N 436.530 2.046 0 40 IEAB Cc1ncsc1C(=O)N1CC[C@@]2(C1)c1cccn1-c1ncccc1N2CC(=O)N(C)C 585106772 HUZHQZNNLHWOMI-JOCHJYFZSA-N 436.541 2.287 0 40 IEAB C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCC2(CCN(C)C2=O)CC1 683673245 SBCRIJBBYJUCBS-CYBMUJFWSA-N 438.450 2.323 0 40 IEAB Cc1nccc(N2CCC3(CC2)OC(=O)N2CCN(C(=O)C4(C(F)(F)F)CC4)C[C@H]23)n1 1549162448 QHOUUVPLZLNWKG-AWEZNQCLSA-N 439.438 2.130 0 40 IEAB O=C1C[C@H](Cn2ccn(-c3ccc(F)c(F)c3)c(=O)c2=O)CN1Cc1ccc(F)cc1 2298136761 SPTAQNIYDGCHHK-OAHLLOKOSA-N 429.398 2.465 0 40 IEAB O=C(CSC1=NC(=O)[C@H](c2ccccc2)C(=O)N1)Nc1ccc(Br)cn1 855563 KWADWEJHLHUOOY-UHFFFAOYSA-N 433.287 2.312 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 916505 ZHTGAGBKMYFXEO-INIZCTEOSA-N 435.521 2.338 0 40 IEAB CC1CCN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 7077976 CMZWAJWQZNQWJY-UHFFFAOYSA-N 425.570 2.465 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)CCCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)cc1 9410667 BUBZZKQOTABBEY-HDICACEKSA-N 438.484 2.435 0 40 IEAB O=C(NC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)c1ccccc1 9853097 OSHDSDQDBBWFIV-SFHVURJKSA-N 449.507 2.232 0 40 IEAB O=C(NC1=CCS(=O)(=O)C1)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 11865543 FJJPDOWWCILWKL-UHFFFAOYSA-N 449.535 2.139 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)CC2)c1 12768652 AZYGCLURTYAFKZ-GOSISDBHSA-N 445.516 2.401 0 40 IEAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(CN2CCOC2=S)CC1 14189833 UXNKHGHVCSPUFW-UHFFFAOYSA-N 425.620 2.482 0 40 IEAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(S(C)(=O)=O)cc1 15198262 HVPGQECMWCZXBY-HNNXBMFYSA-N 436.555 2.366 0 40 IEAB O=C(c1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 15824902 IUIJJAPGGLZHRJ-UHFFFAOYSA-N 447.430 2.041 0 40 IEAB COc1ccc(C(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)cc1 16945154 NTJTXYZSYOGZAD-UHFFFAOYSA-N 449.492 2.218 0 40 IEAB COc1cccc(C(=O)Cn2c(=O)n(-c3ccccc3F)c3nc(C)nc(C(N)=O)c32)c1 19240619 WWKWWMKXHHYHON-UHFFFAOYSA-N 435.415 2.020 0 40 IEAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3CCCCC3)C1)C2=O 19699690 YEZVIWDTGUFHBT-GOSISDBHSA-N 432.565 2.127 0 40 IEAB O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccc(Br)cn1 19853841 FSRAHDIYCSVKQA-UHFFFAOYSA-N 435.263 2.249 0 40 IEAB COc1ccc(OCC(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)cc1 19889936 WJSXMGUFVONGQF-UHFFFAOYSA-N 430.501 2.444 0 40 IEAB COc1ccccc1N1CCN(C[C@H](O)COc2cc(OC)c(OC)c(OC)c2)CC1 21982930 KSQCNASWXSCJTD-KRWDZBQOSA-N 432.517 2.283 0 40 IEAB in-man COc1cccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)c1OC 23139061 POLZOXRWKQPXBC-ZDUSSCGKSA-N 446.529 2.195 0 40 IEAB C[C@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 23270899 DOIOXXQQZZVRSB-WCQYABFASA-N 444.966 2.163 0 40 IEAB Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2N)cc1S(=O)(=O)N(C)C 23644352 SUVPDFFDSMVHLW-UHFFFAOYSA-N 425.894 2.276 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2C)cc1OC 32604112 CQQAYQGKKKULTJ-UHFFFAOYSA-N 427.486 2.329 0 40 IEAB COC(=O)[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccc(F)cc1 48326080 MNZCGQJRSZRRNX-GOSISDBHSA-N 448.516 2.372 0 40 IEAB O=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)N1CCCCC1 56949774 ZQKHUWBQAVMUOG-UHFFFAOYSA-N 429.492 2.492 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)COc1c(OC)cccc1C(=O)N(C)C)CC2 59423124 HCLKOQNBHOUSLB-UHFFFAOYSA-N 428.485 2.378 0 40 IEAB COc1ccc(-c2cc(C(=O)NCc3ccncc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 72405318 NSENBAJYJZSTQM-KRWDZBQOSA-N 426.498 2.243 0 40 IEAB COc1cc2nc(C)n(CC(=O)NCCCc3nc4ccccc4[nH]3)c(=O)c2cc1OC 79191989 YNYIPMFTUVWMCO-UHFFFAOYSA-N 435.484 2.347 0 40 IEAB biogenic C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)Nc1ccc3c(c1)OCO3)C2=O 89920202 IYWFLKOGVJVAID-WHEQGISXSA-N 445.472 2.034 0 40 IEAB CCc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)o1 96243760 ZZQAFMSPQOYOTQ-QUCCMNQESA-N 428.533 2.224 0 40 IEAB CCN1CC[C@]2(CN(CCOC)CC23CCN(C(=O)c2ccc(OC)cc2)CC3)C1=O 96262802 NZLMBFSPXZTDEW-DEOSSOPVSA-N 429.561 2.118 0 40 IEAB COc1ccccc1N(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1=NCCCS1 102228088 WUTCKOUHBVYMGF-KODHJQJWSA-N 425.510 2.328 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)N(CC)Cc2nc(-c3cccs3)no2)s1 223667959 KEFDIACJDJDKPS-UHFFFAOYSA-N 428.521 2.209 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1 226050955 LQYLXDSGNHVGMW-UHFFFAOYSA-N 426.498 2.225 0 40 IEAB Cc1ccc2nc([C@@H]3CCCN(C(=O)C4CCN(c5ccc6nnnn6n5)CC4)C3)[nH]c2c1 508238723 RPVOWQXPQQWMEC-QGZVFWFLSA-N 445.531 2.327 0 40 IEAB O=C(C[C@@H](c1ccsc1)n1cccc1)N1CCCN(S(=O)(=O)N2CCCC2)CC1 524732444 DNANBBVJMNAFQL-IBGZPJMESA-N 436.603 2.404 0 40 IEAB Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@@H]1COc2ccccc2O1 3477851 CDGGKLYXDXRFGZ-SFHVURJKSA-N 440.481 2.465 0 40 IEAB CN(C)c1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](n4cc(COc5ccccc5)nn4)CO[C@H]23)cc1 5399395 BAKRMIDOPGGMJG-MYDTUXCISA-N 449.511 2.060 0 40 IEAB biogenic,in-vitro COCCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 6238928 HGWFGVUXEJAELF-INIZCTEOSA-N 433.530 2.149 0 40 IEAB COc1ccc(CCN2C(=O)C[C@H](Nc3ccc(C(=O)N(C)C)cc3)C2=O)cc1OC 6831698 XUOVMLCXAOELLN-SFHVURJKSA-N 425.485 2.188 0 40 IEAB COc1cccc(OCC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)(=O)C3)c1 8910287 YXKSPZJYTAFYMY-UHFFFAOYSA-N 431.445 2.466 0 40 IEAB O=C(COc1cccc2cccnc12)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9256797 RRNCYWWRCYHJBH-UHFFFAOYSA-N 425.510 2.288 0 40 IEAB Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 9336831 VTIMMYOHQOXXHC-NRFANRHFSA-N 448.527 2.480 0 40 IEAB COc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2)c1 9403355 LNZLMBSVRNQDOT-HXUWFJFHSA-N 442.468 2.165 0 40 IEAB CCN(CC)CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 9507585 KROTWAMLQUWSKE-UHFFFAOYSA-N 429.892 2.485 0 40 IEAB CCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9570015 PDJJDSXIGDTHMS-UHFFFAOYSA-N 449.548 2.035 0 40 IEAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc2c(c1)OCCO2 9583377 UBNHCCZXAWRQEJ-UHFFFAOYSA-N 446.481 2.038 0 40 IEAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 9660357 GLKMEMRJJPJBHV-CYBMUJFWSA-N 440.891 2.471 0 40 IEAB Cn1cccc1[C@H](CNC(=O)C(=O)NCc1ccc2c(c1)OCO2)N1CCCCCC1 11898750 VABGVPAUKISPJB-IBGZPJMESA-N 426.517 2.104 0 40 IEAB CCC(CC)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 12311479 KMEXLDJNKMPACF-UHFFFAOYSA-N 432.926 2.279 0 40 IEAB O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCN(C(=O)N2CCOCC2)CC1 12743331 IFFQWDLMEJEARY-UHFFFAOYSA-N 435.484 2.342 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1=O 12787811 VPEBMVHADAWZMS-SFHVURJKSA-N 435.480 2.318 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 12881949 RFUPAELEDGOCAH-YKJDYHJGSA-N 447.557 2.155 0 40 IEAB biogenic CCn1cnc2c1c(=O)n(CC(=O)OCCOc1ccccc1)c(=O)n2Cc1ccccc1 13040416 RQMNAQYXDXYBNH-UHFFFAOYSA-N 448.479 2.050 0 40 IEAB COc1cc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 13041256 SXIDSLYZOGINFO-KRWDZBQOSA-N 447.557 2.346 0 40 IEAB Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)CNC(=O)c2cccs2)cc1 13100587 CTJXTPWPUUEYQF-XDOYNYLZSA-N 429.523 2.368 0 40 IEAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(Br)c1)C1=C(COC1=O)N2 16047711 IOSGKBSMADCPQJ-ZDUSSCGKSA-N 432.274 2.468 0 40 IEAB Cc1c(S(=O)(=O)N2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cnn1C 19553888 NTYHAXWHGMQSEA-OAHLLOKOSA-N 435.550 2.347 0 40 IEAB O=C1CCCCCN1CC(=O)N1CC[C@H](c2ccc3c(NC4CCOCC4)n[nH]c3n2)C1 19705061 YXBVJHXBVQCUKD-INIZCTEOSA-N 440.548 2.267 0 40 IEAB CN(C)[C@H]1N(C(=O)c2ccc(Br)cc2)N=C2c3ccccc3S(=O)(=O)N21 19882071 LOKBDCJOMPACRA-KRWDZBQOSA-N 435.303 2.116 0 40 IEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(CC)CC2)C1 19938145 HWHWPTXXMMRMKX-INIZCTEOSA-N 443.997 2.304 0 40 IEAB CCc1nn2c(=O)cc(COC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)nc2s1 21604493 MWHGRUOIVJTMGW-UHFFFAOYSA-N 444.488 2.448 0 40 IEAB CCOc1ccccc1OCCCC(=O)NCCNS(=O)(=O)c1ccc(OC)cc1 22971608 HDXFSPCYZUZHSZ-UHFFFAOYSA-N 436.530 2.348 0 40 IEAB C[C@@H](OC(=O)C1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)Nc1ccc2c(c1)CCC2 32873907 BQGQGUZRWJLCPL-OAHLLOKOSA-N 436.512 2.456 0 40 IEAB CC(=O)c1ccc(N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 34886149 FDAWCHCIYXAWMA-UHFFFAOYSA-N 438.484 2.131 0 40 IEAB O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 35155450 UAXDGUMYFFGRTH-FQEVSTJZSA-N 429.542 2.106 0 40 IEAB COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)cc1 43942859 CXTFOEKAXLIXHB-CMDGGOBGSA-N 439.468 2.073 0 40 IEAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 57313613 JRULEVMCZDYXOV-UHFFFAOYSA-N 430.505 2.491 0 40 IEAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccccc1 218154989 AIEXJYSCZIUPBH-MOPGFXCFSA-N 446.477 2.468 0 40 IEAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@](O)(c2ccco2)c2cccs2)c1 225591375 BTQVGNXXLQBUQL-IBGZPJMESA-N 437.495 2.351 0 40 IEAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4C[C@H]4CCOC4)nn3c(O)c2C1 247756546 WQGFREUIWHJINP-FOIQADDNSA-N 425.533 2.293 0 40 IEAB CN(C)[C@@H](CNC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccsc1 518417014 MMSYTKWLFWQCEJ-HOCLYGCPSA-N 442.632 2.422 0 40 IEAB Cc1ccc(S(=O)(=O)N2Cc3ccnn3[C@@H](CC(=O)NCc3ccccn3)C2)cc1 585095752 IDZIMBQVYKZJDR-IBGZPJMESA-N 425.514 2.039 0 40 IEAB O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCC[C@@H](c2nc(O)n[nH]2)C1 1686252971 WTPCSOMJRBNTNF-PELKAZGASA-N 426.246 2.435 0 40 IEAB Brc1ccc(CCN2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1 1889139071 QCYWORQZTQODTR-UHFFFAOYSA-N 432.366 2.440 0 40 IEAB O=C(CN1CCO[C@]2(CC=CCc3ccccc3OCCNC2=O)C1)NC1CCCCC1 2037884968 MPWVASXLUMYFPW-RUZDIDTESA-N 441.572 2.204 0 40 IEAB Cc1c(CCC(=O)NCC(=O)NCC(=O)O)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 2125071 JRHXWDOIASFYKD-UHFFFAOYSA-N 442.468 2.395 0 40 IEAB biogenic O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1cccs1 2654442 MDDSIURYBHFOQS-UHFFFAOYSA-N 434.495 2.293 0 40 IEAB Cc1ccc(S(=O)(=O)N(c2nc(NC(C)C)nc(NC(C)C)n2)n2cnnc2)cc1 8398294 STLDQGAXAZXNGU-UHFFFAOYSA-N 431.526 2.071 0 40 IEAB CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccccc1N1CCOCC1 8706890 FPJLJCYKLJKCLC-UHFFFAOYSA-N 426.536 2.443 0 40 IEAB O=C(NC[C@H]1CN(c2ccc(F)cc2)C(=O)O1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9070804 DWTJPFOUPCRVCG-SFHVURJKSA-N 447.488 2.365 0 40 IEAB COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 9442047 VQHOTEPNLAFJKD-BJMVGYQFSA-N 432.498 2.377 0 40 IEAB CCNC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1N1CCOCC1 9467358 YYDAVINVFODOJB-UHFFFAOYSA-N 434.518 2.474 0 40 IEAB O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC[C@H]1c1nc2ccccc2s1 9491042 NAAFSLLGYOOURZ-BBRMVZONSA-N 446.554 2.125 0 40 IEAB CCOc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(Br)cc2)cc1 9571129 QNUOIXKBXYOCHN-UHFFFAOYSA-N 438.307 2.302 0 40 IEAB COc1ccc(Cl)cc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 9674880 VUVKKZUXXQAZDA-IAGOWNOFSA-N 431.811 2.420 0 40 IEAB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 9797684 VDKCDIHETNEZBK-WYMLVPIESA-N 441.509 2.065 0 40 IEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)N1CCN(c2ccccc2)CC1 10810421 YDMDBNVNXVVHQO-IBGZPJMESA-N 449.555 2.031 0 40 IEAB COc1cccc(NC(=O)COc2ccc(C(=O)N3CCN(c4cnccn4)CC3)cc2)c1 11086715 UPRUWUPDSSAQAY-UHFFFAOYSA-N 447.495 2.465 0 40 IEAB CCOc1ncc(C2(O)CCN(Cc3cc(OC)c4c(c3)OCO4)CC2)c(OCC)n1 12186410 IAGYXCUIMUUBAC-UHFFFAOYSA-N 431.489 2.495 0 40 IEAB COc1cc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc(OC)c1OC 12507749 IPKYDCIGLZAXTC-IBGZPJMESA-N 425.445 2.320 0 40 IEAB Cc1nc2cc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)ccc2n1-c1ccccc1 12531302 YZSCFWQXSYTDQU-HXUWFJFHSA-N 438.553 2.279 0 40 IEAB O=C(c1cnn(Cc2ccccc2)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12594446 ROZXMAPIMDORGB-QFIPXVFZSA-N 432.480 2.056 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1OC 12999765 NMRLLQSKMMPFHX-PKNBQFBNSA-N 430.526 2.391 0 40 IEAB COc1ccccc1-c1nnc(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)o1 14018285 VMUSXEAJSBRIHZ-UHFFFAOYSA-N 430.486 2.025 0 40 IEAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C 14109133 WNQYOORLZJZYQB-NSHDSACASA-N 449.023 2.258 0 40 IEAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1nnc(Cc2ccccc2)s1 16685347 DWTAPULZGGNPAJ-JOCHJYFZSA-N 449.492 2.297 0 40 IEAB Cc1c(C(=O)N[C@H](C)C(=O)N2CCC[C@H](C(=O)CS(C)(=O)=O)C2)oc2c(C)cccc12 19236749 GFGASBDDQLCJBN-CVEARBPZSA-N 448.541 2.020 0 40 IEAB O=C(c1cccnc1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccnc3)[nH]c(=O)c2C1 19337716 TZISWHGLIGPFTE-FQEVSTJZSA-N 444.495 2.126 0 40 IEAB O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)C1 19339408 YNTTUJVPVYUMPP-KRWDZBQOSA-N 435.553 2.343 0 40 IEAB CNc1nc([C@H]2CCCN2)nc2c1CCN(C(=O)CCCS(=O)(=O)c1ccccc1)C2 19707480 MBYQCXCZDLYZTD-GOSISDBHSA-N 443.573 2.082 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cn2ccc(C)cc2n1 20008964 KBANQOJDZOQNLH-UHFFFAOYSA-N 444.513 2.315 0 40 IEAB COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1)n(C)c(=O)n2C 20853938 QIJGWAIKWKSIBP-UHFFFAOYSA-N 426.292 2.449 0 40 IEAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)c(C(=O)OC)c1C 23882332 ZRHLWJBUSBSOOK-UHFFFAOYSA-N 427.456 2.058 0 40 IEAB O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCc1ccnc(N2CCOCC2)c1 25290972 PBICEESXILNKCK-UHFFFAOYSA-N 426.561 2.257 0 40 IEAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 35313231 XPWQOLVPEJXEGD-NTOJSVKISA-N 429.561 2.053 0 40 IEAB COc1cc(NC(=O)C(=O)NCc2cccc(F)c2)ccc1N1CCCCS1(=O)=O 40287445 KNMIZFFNDCZGKK-UHFFFAOYSA-N 435.477 2.019 0 40 IEAB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C(=O)NC1CCCC1 56945685 XGWMAWJRKBTCEP-HXUWFJFHSA-N 428.508 2.457 0 40 IEAB O=C1CN(Cc2ccc3c(c2)OCO3)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 56998204 QGEANODGZGJMGW-IRXDYDNUSA-N 434.901 2.083 0 40 IEAB Cn1c(=O)c2c(c(-c3ccccc3)cn2C)n(CC(=O)Nc2ccc3c(c2)OCCO3)c1=O 67235378 ISNYJKMIMFGINJ-UHFFFAOYSA-N 446.463 2.116 0 40 IEAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc(N2CCNC2=O)c(F)cc1F 72297097 WKCBGKURCSURLB-HXUWFJFHSA-N 430.455 2.298 0 40 IEAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCN(CCc2ccncc2)CC1 95480215 HALNVVHGIFIFNR-HXUWFJFHSA-N 439.951 2.282 0 40 IEAB CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)[C@@H]1CN(C)C2 96143835 UHHCXKHMXPFYNY-FXAWDEMLSA-N 425.982 2.199 0 40 IEAB O=C(O)[C@H]1[C@H](C(=O)Nc2ccccc2O)[C@H]2O[C@H]1C(Br)=C2Br 100352120 SOBYUWXFDOGLOT-LDDIKCJXSA-N 433.052 2.430 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(OC(C)C)cc1 216479681 MVECVOSPJOJXNA-UHFFFAOYSA-N 448.541 2.433 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 216481759 WCVJZHWPFPCXED-UHFFFAOYSA-N 425.894 2.340 0 40 IEAB COc1cc(CN(C)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc(OC)c1OC 226034613 RZZVGLINYZEIFE-UHFFFAOYSA-N 436.530 2.133 0 40 IEAB COc1cccc(-c2n[nH]cc2C(=O)NCc2nnc3cc(-c4nc(C)no4)ccn23)c1 238898096 RFOOUHQLSZMHFW-UHFFFAOYSA-N 430.428 2.416 0 40 IEAB CC(C)CNC(=O)c1ccccc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 408706009 SRVHWPHCEYCFJZ-UHFFFAOYSA-N 447.557 2.481 0 40 IEAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2C)cc1 409159997 OVEXQJHSDUWPKL-QAPCUYQASA-N 445.589 2.470 0 40 IEAB O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)o1 512684816 IFVIDUPTBOAYKX-QZTJIDSGSA-N 446.511 2.087 0 40 IEAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1C 575420576 CYPPZVROZPFDFF-GOSISDBHSA-N 436.555 2.330 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC[C@H]2CCN(C3CC3)C2)cc1 595404600 XBYRQLUXVKYVFP-DYESRHJHSA-N 433.574 2.033 0 40 IEAB COc1ccc(/C=C/C(=O)NCc2c3c(c(O)c4c2OCO4)C(=O)N(C)CC3)cc1OC 604404380 FYNIWCQYRFOLHN-FNORWQNLSA-N 440.452 2.096 0 40 IEAB biogenic COc1ccc(Br)c(C(=O)N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c1 618255358 BMORAVKDWVUQLC-UHFFFAOYSA-N 436.306 2.489 0 40 IEAB COc1cccc(NC(=O)N2CCN3C(=O)OC4(CN(c5ccc(F)cn5)C4)[C@H]3C2)c1 1549160486 DUQVYNVKEOKHOQ-QGZVFWFLSA-N 427.436 2.157 0 40 IEAB O=C1NCCN(C(=O)c2cccc(Cl)c2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 2197560 RRDNJHUEEQLXGL-FQEVSTJZSA-N 440.931 2.020 0 40 IEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3C(=O)c4cccc(N)c4C3=O)c2)C1 3283238 LBKAPIHOKOHZFG-KBPBESRZSA-N 441.509 2.372 0 40 IEAB O=C(CCN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)N[C@H]1CCS(=O)(=O)C1 9429765 ABOFIZSSZJKXTR-GFAPJHNFSA-N 428.919 2.070 0 40 IEAB O=C(C(=O)N1CCC2(CC1)OCCO2)c1cn(CC(=O)N2CCCCC2)c2ccccc12 9519429 YUDIYEWPUCSLPF-UHFFFAOYSA-N 439.512 2.202 0 40 IEAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)N[C@@H]1CCCc2ccccc21 9548571 BISPGYQRCIFOIX-WMLDXEAASA-N 434.587 2.078 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C1 9639260 HZUWKBRGDCEQFI-HNNXBMFYSA-N 427.478 2.479 0 40 IEAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)CCOc1ccccc1Cl 10285067 LAJCDBPCDNUFFU-UHFFFAOYSA-N 434.924 2.038 0 40 IEAB COC(=O)C1CCN(C(=O)CCCN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 10542153 MEUYDWQXYZKMMU-UHFFFAOYSA-N 446.953 2.306 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)n(C)c1 10783136 QLRXUAOKXDQMOO-UHFFFAOYSA-N 446.573 2.090 0 40 IEAB COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(OC)c(OC)c3)CC1)NS2(=O)=O 12142594 HXSGCZAOJCRTCB-UHFFFAOYSA-N 447.513 2.049 0 40 IEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 12321893 MMJBJYKRIRKMCQ-HRAATJIYSA-N 435.480 2.430 0 40 IEAB CN(CC(=O)NCc1ccco1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 12548552 JQOUBAOESQDKDE-UHFFFAOYSA-N 427.482 2.469 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2cc(=O)[nH]c3ccccc23)c(=O)[nH]c1=O 13006055 DXKYEADVXPQUIR-UHFFFAOYSA-N 425.489 2.063 0 40 IEAB Cc1c(NC(=O)CSc2nnnn2[C@H]2C[C@@H]3C=C[C@H]2C3)c(=O)n(-c2ccccc2)n1C 15023470 UNFRRSHMNXTETD-VYDXJSESSA-N 437.529 2.339 0 40 IEAB Cc1ccc(NC(=O)CN(C)C(=O)CSc2n[nH]c(=O)n2Cc2ccccc2)cc1 16045263 ITHKVMKPDAIXGD-UHFFFAOYSA-N 425.514 2.117 0 40 IEAB C[C@H]1Cc2cc([C@H](O)CN3CCC(NC(=O)C4CCCC4)CC3)ccc2N1S(C)(=O)=O 19497862 HLSNKMNTXWKVML-KSFYIVLOSA-N 449.617 2.201 0 40 IEAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)c3cnn(C)c3C)CCO2)cc1 19692797 IULOIUKGZPXNTD-HXUWFJFHSA-N 436.516 2.474 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C2)c1 19695020 QVTBUHRXLZSYEH-GOSISDBHSA-N 448.527 2.099 0 40 IEAB CN(CCO)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 20444033 CXJBGZOWJCFVTQ-UHFFFAOYSA-N 429.546 2.356 0 40 IEAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1Cl 20495725 JUYOPTZPJBAUND-UHFFFAOYSA-N 437.905 2.436 0 40 IEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 22230126 IXJYAPMBNDSKBO-KRWDZBQOSA-N 432.498 2.202 0 40 IEAB CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 22798353 VAQAEIUTYARSBI-HXUWFJFHSA-N 447.557 2.081 0 40 IEAB COc1ccc([C@H](NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)C(C)C)cc1 22813197 PZAWZDRDTQHLQE-XMMPIXPASA-N 430.593 2.139 0 40 IEAB COc1cccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)c(=O)n2N)c1 27643290 HFJWVWIUCNWEHH-UHFFFAOYSA-N 431.905 2.336 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(F)cc2F)sc(C(N)=O)c1C 28939009 WDWXAPAFRXPUCD-UHFFFAOYSA-N 426.397 2.406 0 40 IEAB O=C(Cn1cccc2c(=O)n(Cc3ccncc3)c(=O)nc1-2)Nc1ccc(F)c(Cl)c1 32616241 ZIFFKOBKAHVGTB-UHFFFAOYSA-N 439.834 2.384 0 40 IEAB Cc1ccc2nc(COC(=O)c3sccc3S(=O)(=O)N3CCCC3)cc(=O)n2c1 32901770 YTJKRVILEJDKTQ-UHFFFAOYSA-N 433.511 2.206 0 40 IEAB COc1ccccc1[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F)c1nccn1C 32905104 OIAAUAPRKXEXFU-AUUYWEPGSA-N 446.504 2.140 0 40 IEAB O=C(CN(C(=O)CNC(=O)c1cccs1)c1ccc2c(c1)OCO2)NC1CCCC1 35310915 KOXJKBPTQZJBFC-UHFFFAOYSA-N 429.498 2.299 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 38752913 CQFHTKCHULHZMW-OAHLLOKOSA-N 439.509 2.031 0 40 IEAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nnc([C@H]2CCCO2)s1 61720321 PXOBKNKIABKUEX-GOEBONIOSA-N 430.534 2.248 0 40 IEAB CSc1ncc(C(=O)NS(=O)(=O)N2CCOc3ccccc32)n1-c1ccccc1 65568045 LWUFDCVMIYSTSQ-UHFFFAOYSA-N 430.511 2.468 0 40 IEAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccccc1OCC 67286803 DQGCBUFIUZPLJI-FQEVSTJZSA-N 445.516 2.095 0 40 IEAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)CCOc1ccccc1)CC2 72345733 DTOJFWZUWMIOLL-KRWDZBQOSA-N 445.589 2.094 0 40 IEAB COc1ccc(/C=C/C(=O)NCCn2nc(-c3cccnc3)n(C3CC3)c2=O)cc1OC 206637231 OTNHAUUABCETIL-UXBLZVDNSA-N 435.484 2.289 0 40 IEAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225907736 BZXSPPXXXLKOLE-BBWFWOEESA-N 434.610 2.261 0 40 IEAB S=C(NC[C@H]1CCCO1)Nc1nc(N2CCOCC2)cc(N2Cc3ccccc3C2)n1 225907874 YXRACUHVFHEBLY-GOSISDBHSA-N 440.573 2.299 0 40 IEAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 252347132 XYJHJKBRXBIALT-WJMWBRGCSA-N 431.448 2.301 0 40 IEAB COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)c1 408600614 BFGPGWKXCHLTNZ-UHFFFAOYSA-N 444.513 2.278 0 40 IEAB COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc4c(C)nn(-c5ccccc5)c4n3)C2)nn1 544825468 HWFZWVXSJXPFOA-MRXNPFEDSA-N 431.456 2.194 0 40 IEAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)C(=O)N1CCCN(C(=O)OCc2ccccc2)CC1 642881936 HYXPKCRMIHAYBU-KRWDZBQOSA-N 449.504 2.226 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(C(=O)C(C)(C)C)C2 1549174676 PSVHJFNYMHHJKJ-IBGZPJMESA-N 427.545 2.120 0 40 IEAB O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1ccccn1)C2 2037818705 PTSKHHMNMLMKKM-VWLOTQADSA-N 448.523 2.189 0 40 IEAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)C[C@@H](CC(=O)NC1CC1)c1ccccc1O2 2055806589 PZROEEKIYFHTOQ-MRXNPFEDSA-N 434.558 2.017 0 40 IEAB CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1391676 OLJJQZDMDGGHQE-NSHDSACASA-N 429.709 2.089 0 40 IEAB O=C(c1cccs1)C(NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1 2699738 ISFHIHPFCPOKGU-UHFFFAOYSA-N 436.536 2.214 0 40 IEAB COCCn1c(=O)c2c(nc3n(-c4ccc(Br)cc4)c(C)c(C)n23)n(C)c1=O 9124672 OSMKLZUZZCVTFG-UHFFFAOYSA-N 446.305 2.164 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1C(C)=O)c(=O)n2Cc1ccccc1 9465183 JORIWULFVONBHE-UHFFFAOYSA-N 445.479 2.269 0 40 IEAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 9465660 XDFGTOZNSFXOJX-DENIHFKCSA-N 441.553 2.492 0 40 IEAB C[C@H](C(=O)OCc1nc2ccc(Cl)cc2n1CCO)N1C(=O)c2ccccc2C1=O 9492535 FDNAFGBJOKYRBA-GFCCVEGCSA-N 427.844 2.410 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1 9829302 HGELDLDGSSHHEN-UHFFFAOYSA-N 447.494 2.192 0 40 IEAB O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)N1CCN(c2ccc(O)cc2)CC1 9910428 PJEHLNYJPYEOIV-INIZCTEOSA-N 435.575 2.276 0 40 IEAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 10256094 YKBPOTJJOAKRJT-HXUWFJFHSA-N 429.542 2.425 0 40 IEAB COc1ccc(Br)cc1-c1nnc2n(CC(C)C)c3c(=O)[nH]c(=O)n(C)c3n12 10969905 TYFJGDORPUJSEF-UHFFFAOYSA-N 447.293 2.165 0 40 IEAB Cc1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F 11367250 BXJGLYPSPTYXAF-GOSISDBHSA-N 434.489 2.375 0 40 IEAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@H]1CCCN(C(=O)c2cscn2)C1 12132902 ADSOKVNYOZGJRP-AWEZNQCLSA-N 429.527 2.418 0 40 IEAB CCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c1 12254659 NRWVHVPGHHOZNC-UHFFFAOYSA-N 437.543 2.167 0 40 IEAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 12522721 XCCQPNXPJQQITQ-UHFFFAOYSA-N 425.532 2.025 0 40 IEAB Cc1nc(-c2ccc(CCNC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)s2)cs1 12751380 GAEOFIGCBHRZHY-UHFFFAOYSA-N 434.568 2.336 0 40 IEAB O=C(CCc1c[nH]c2ccccc12)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 13164078 QSZMFRYKRRMQSW-UHFFFAOYSA-N 427.526 2.438 0 40 IEAB COCCN1C[C@H](c2cc(N(C)C)nc(C3CCN(C(=O)C4CCCC4)CC3)n2)CC1=O 19697506 NGMRKNLACGDANU-LJQANCHMSA-N 443.592 2.401 0 40 IEAB O=C(NCCO)c1sc2ncccc2c1[C@H]1CN(C(=O)Cc2cccc(F)c2)CCO1 19702704 UAPRVECVTHXEQN-QGZVFWFLSA-N 443.500 2.300 0 40 IEAB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)N1CCCCCC1 22228593 VYXDFKQBSICRBV-UHFFFAOYSA-N 435.590 2.359 0 40 IEAB O=C(NCCc1ccccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 23149559 QDKIGYUSLUCOJC-UHFFFAOYSA-N 426.897 2.473 0 40 IEAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3cccs3)C2)c1 23175910 QFCYXSWPNAYWOR-GOSISDBHSA-N 448.570 2.130 0 40 IEAB Cn1c(=O)n(CC(=O)c2ccccc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1 23989685 RTTCKJRPHBDQPQ-UHFFFAOYSA-N 429.480 2.190 0 40 IEAB CNC(=O)c1ccc(CN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)C2CC2)cc1 26116620 HLXRVPSBUMJWHB-NPMXOYFQSA-N 426.517 2.038 0 40 IEAB CCCCN(CC)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 29606253 CKNJMNXPHLXWJI-UHFFFAOYSA-N 436.578 2.175 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCc1cccc(CN3CCCC3)c1)O2 38831853 RQNMSCFTJUWQPU-JOCHJYFZSA-N 443.569 2.434 0 40 IEAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)C2CCN(C(=O)C3CC3)CC2)CC1 40033883 KEPUEGBEYSYPEC-HXUWFJFHSA-N 447.963 2.347 0 40 IEAB Cn1c(Cl)cnc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 58244952 RMIRUBCAXQTXTH-GFCCVEGCSA-N 447.344 2.114 0 40 IEAB CC(C)S(=O)(=O)NC[C@@H]1CCCN(C(=O)CCc2nc(-c3ccsc3)no2)C1 58344158 HZJIOUHGVOZJGV-AWEZNQCLSA-N 426.564 2.297 0 40 IEAB CNc1cc([C@@H]2CC(=O)N(CCOC)C2)nc(C2CCN(C(=O)C3CCCC3)CC2)n1 72341541 WETFXMGIYSUMJE-GOSISDBHSA-N 429.565 2.377 0 40 IEAB Cn1nc([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)c2nccnc21 72393918 ZBDXUABILYWEKR-CQSZACIVSA-N 431.493 2.072 0 40 IEAB Cn1nc([C@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)c2nccnc21 72393919 ZBDXUABILYWEKR-AWEZNQCLSA-N 431.493 2.072 0 40 IEAB O=C(NCCc1nnc2ccccn12)c1ccc(N2CCCCS2(=O)=O)cc1Cl 95480610 KRIYDZXPTHAPNC-UHFFFAOYSA-N 433.921 2.285 0 40 IEAB O=C(c1ccco1)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(Cl)cc2)C3)CC1 97097845 GCEUEVQGTBPGFT-SFHVURJKSA-N 441.875 2.394 0 40 IEAB O=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 97161282 NYCOFNGSCDPWIL-OAQYLSRUSA-N 449.486 2.216 0 40 IEAB O=C(CN1C(=O)S[C@@H]([C@@H]2SC(=O)NC2=O)C1=O)Nc1cccc(C(F)(F)F)c1 101375857 FSMYRHPJVRPLDJ-UWVGGRQHSA-N 433.389 2.060 0 40 IEAB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCC(=O)O 106758234 QXEJSSLXGUCEFU-YBEGLDIGSA-N 434.470 2.207 0 40 IEAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3sccc3C)C2)cs1 306139252 STGPUOGETGMEJI-HXUWFJFHSA-N 429.571 2.136 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)c1ccccc1C 408557682 HHJIOSVDGOVJBQ-UHFFFAOYSA-N 431.514 2.142 0 40 IEAB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1OC 409125130 JDQQRYGAXLTWDW-WUXMJOGZSA-N 429.834 2.411 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)CC1 508048451 YFDSDJKRAURUBG-KRWDZBQOSA-N 432.550 2.132 0 40 IEAB O=C(NCCCn1ccnc1)C1=NO[C@]2(CCCN(c3cc(C(F)(F)F)ncn3)C2)C1 585101265 SOVMEIRYLKANMO-GOSISDBHSA-N 437.426 2.014 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(Cc1cccnc1)C2 1549167147 MDPQAOIPHCQEOV-QFIPXVFZSA-N 434.540 2.143 0 40 IEAB O=C(COc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2661634 TUPMNZNRCHEOJN-UHFFFAOYSA-N 446.916 2.195 0 40 IEAB CCOC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](O)c1ccccc1 6547661 GFXBVMOCCVTKRE-HZPDHXFCSA-N 428.304 2.393 0 40 IEAB C[C@@H]1CCc2sc(C(=O)OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1 9128796 XJOVODBNUQWXRZ-CYBMUJFWSA-N 436.555 2.036 0 40 IEAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc3c(c2)OCO3)c(=O)[nH]c1=O 9255425 QIBBZVQBLVEJNQ-UHFFFAOYSA-N 426.429 2.088 0 40 IEAB O=C([C@@H]1CN(C(=O)CN2C(=O)COc3ccccc32)c2ccccc2O1)N1CCCCC1 9514633 RGKKRBACXFVCOY-NRFANRHFSA-N 435.480 2.219 0 40 IEAB Cc1c(C)n2c3c(=O)n(CC(=O)c4ccc(F)cc4)c(=O)n(C)c3nc2n1Cc1ccco1 9713195 XLAIRCKDDITTQH-UHFFFAOYSA-N 449.442 2.430 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cccc(C)c2C)cc1 9806795 RVXNJZPZUVURBZ-QGZVFWFLSA-N 445.541 2.220 0 40 IEAB COc1cc(CNC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc(OC)c1OC 9888115 NCVJLSDDJJOJMV-CYBMUJFWSA-N 434.514 2.353 0 40 IEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 9980798 YYIXFVAKFHVUBS-UGSOOPFHSA-N 434.452 2.429 0 40 IEAB CCCCn1c(N)c(N(CCC(C)C)Cc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O 10485382 OQLODONOUKJUHD-UHFFFAOYSA-N 426.521 2.208 0 40 IEAB CCCN(C(=O)COC(=O)c1ccccc1NCc1ccco1)[C@@H]1CCS(=O)(=O)C1 11330258 NSBZCUUVNXUMSJ-MRXNPFEDSA-N 434.514 2.474 0 40 IEAB Cc1ccc2c(c1)C(=O)C[C@H](C1CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC1)O2 12154159 LDEBCEPEPJTZCG-OAQYLSRUSA-N 434.558 2.239 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)c(O)n3n2)CC1 12161683 KLQUNFQHIYQHNK-SFHVURJKSA-N 449.577 2.167 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)cc1 12219557 KMGJPJHDHCUAME-UHFFFAOYSA-N 428.514 2.211 0 40 IEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@H](C(=O)OC)[C@@H]1c1ccc(NC(C)=O)cc1 12402749 GBZNBHUOKKUAFS-RTWAWAEBSA-N 428.485 2.237 0 40 IEAB O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(Cc2cccs2)CC1 12681909 PCKBKFBNZUMNMI-UHFFFAOYSA-N 433.599 2.493 0 40 IEAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCC(C(=O)N2CCOCC2)CC1 12868292 WNXNODPSVRVSLV-UHFFFAOYSA-N 446.507 2.097 0 40 IEAB Nc1c(C(=O)COC(=O)c2ccccc2Nc2ccc(F)cc2)c(=O)[nH]c(=O)n1C1CC1 12915026 SIQQINXSZWMUGX-UHFFFAOYSA-N 438.415 2.376 0 40 IEAB COC(=O)c1cccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)c1 13506367 NEIKIJGMGJDHCW-UHFFFAOYSA-N 443.525 2.357 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(N)=O 15721469 FBWWMILNKWCAPU-PMACEKPBSA-N 427.501 2.246 0 40 IEAB Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)n1 18126175 OVONQXHXWDGKPN-UHFFFAOYSA-N 442.950 2.247 0 40 IEAB Cc1c(C(=O)N2CCOCC2)sc2nc3n(c(=O)c12)CCN(Cc1ccccc1)CC3 19565157 GPTUOCXVQOWJSP-UHFFFAOYSA-N 438.553 2.297 0 40 IEAB CNC(=O)[C@@H]1CN(Cc2ccc(OC)c(OC)c2)C[C@H]1c1ccnc(N2CCCC2)n1 19591945 SEQQHNPOKPRHME-QZTJIDSGSA-N 425.533 2.056 0 40 IEAB COC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 19866429 ZUGGZZPEGNJFPY-KRWDZBQOSA-N 442.965 2.293 0 40 IEAB CCc1nn2c(=O)cc(COC(=O)[C@H](C(C)C)N3C(=O)c4ccccc4C3=O)nc2s1 21601843 ZJATYTYVBXGDAQ-KRWDZBQOSA-N 440.481 2.077 0 40 IEAB Cn1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)n1 26406059 WUMKWIXECJQZNF-UHFFFAOYSA-N 432.424 2.358 0 40 IEAB CCOC(=O)c1ccc2c(c1)n(C[C@@H](O)COc1ccc(NC(C)=O)cc1)c(=O)n2CC 30531290 FMLTZOZWFZAZJV-GOSISDBHSA-N 441.484 2.398 0 40 IEAB CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3(C(=O)OC)CCC(C)CC3)cc(C(C)C)nc21 40155308 UBZNHEHTBWZJFN-UHFFFAOYSA-N 444.532 2.470 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)c3ccc4c(c3)N(C)C(=O)CO4)n2)cc1OC 40267150 OGWLGWAFSVLMEG-UHFFFAOYSA-N 435.436 2.166 0 40 IEAB CNC(=O)CSc1cnn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1Cl 49401107 QYBSWSGDANXWNC-UHFFFAOYSA-N 445.726 2.136 0 40 IEAB Cc1ccc(SCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 61046519 IZGBVOHHULPBQZ-UHFFFAOYSA-N 433.599 2.453 0 40 IEAB CCn1nc(C)c2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)NCc1ccccc1 64817658 VMQRMVJRDMJWTO-UHFFFAOYSA-N 449.486 2.192 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)C[C@@H](C)O1 65515914 MTTQKRKVNLVPMF-KSZLIROESA-N 447.557 2.390 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70637631 NLYXDZCQVBVJQP-UHFFFAOYSA-N 438.509 2.426 0 40 IEAB COc1ccc2c(ccn2CCNC(=O)Cn2ncc3ccc(OC)c(OC)c3c2=O)c1 72324932 JWSQFTUCWOXJNV-UHFFFAOYSA-N 436.468 2.193 0 40 IEAB biogenic CC(=O)NCCCOC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 89962629 YSDXSVLGFUMVEK-UHFFFAOYSA-N 435.340 2.209 0 40 IEAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223329302 LHBQPWKGJYHJHE-OAQYLSRUSA-N 431.558 2.174 0 40 IEAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 225581924 IFTRZHKAKFUSKI-UHFFFAOYSA-N 427.530 2.107 0 40 IEAB CN1Cc2nnc(C(=O)NCc3ccccc3)n2C[C@]12CCN(Cc1cccc(F)c1)C2 306124275 BLJVFXKKMCDIJH-XMMPIXPASA-N 434.519 2.437 0 40 IEAB COc1ccccc1N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)S(C)(=O)=O 408602888 DCQQNOCTENBINA-DHZHZOJOSA-N 443.569 2.319 0 40 IEAB Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NCc3nc4ccccc4n3C3CC3)no2)cn1 572172682 KPKIPYLEPDEWNB-SFHVURJKSA-N 448.487 2.438 0 40 IEAB NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)ccc1Cl 3498063 RVLLSAALKKBZBG-UHFFFAOYSA-N 434.804 2.384 0 40 IEAB CC1(C)Cc2c(sc3c2c(=O)n(CCCO)c(=O)n3CC(=O)c2ccccc2)CO1 9186352 JRZHCTFZCWXWSO-UHFFFAOYSA-N 428.510 2.341 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 9448671 GAWQIUYAOHJREK-ZDUSSCGKSA-N 427.486 2.428 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(F)cc2)c1 9807268 ODVLENFCZZTFOU-SFHVURJKSA-N 433.505 2.351 0 40 IEAB Cc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(=O)[nH]c2c1C 11726480 IWSQXXXOPQHLLF-UHFFFAOYSA-N 427.526 2.368 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1 12628617 AWXOZCHUSONDRD-UHFFFAOYSA-N 427.511 2.124 0 40 IEAB Cc1nc(Cc2nn(CN3CCN(c4ncnc5c4cnn5C)CC3)c(=S)o2)cs1 12908039 JPNQFAMSWSVUQV-UHFFFAOYSA-N 443.562 2.018 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](C)c3ccc(F)c(F)c3)CC2)cc1 13038724 SZNVHZKKNCQEEQ-MRXNPFEDSA-N 437.512 2.457 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cccs3)CC2)cc1 13096687 OWHHVZUQXUOGEW-SFHVURJKSA-N 447.582 2.194 0 40 IEAB CCc1nnc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)s1 14076572 YSCWGOZWQXUNSC-UHFFFAOYSA-N 426.428 2.412 0 40 IEAB CCN1CCN([C@H](c2cc3ccc(OC)cc3[nH]c2=O)c2nnnn2C(C)(C)CC)CC1 19499624 OVNQNZGFCXBLLE-HXUWFJFHSA-N 439.564 2.395 0 40 IEAB COc1cccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C)CC2)c1OC 19589903 PELOSHKKYZFQPE-HXUWFJFHSA-N 426.496 2.215 0 40 IEAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)Cc2nc(C(C)C)n[nH]2)CCO1 19702756 PBPRWBNFXQAQRG-CYBMUJFWSA-N 428.518 2.040 0 40 IEAB Cc1nc(C)c(C(=O)N2CCO[C@@H](c3c(C(=O)N(C)CCO)sc4ncccc34)C2)o1 19702890 PQJMIQBNBVCOMO-OAHLLOKOSA-N 444.513 2.179 0 40 IEAB CN(C)CCOc1cccc(NC(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)c1 19708133 LYVNOIJGRINDBP-UHFFFAOYSA-N 446.573 2.413 0 40 IEAB Cc1nn(C)c(C)c1NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 22837886 XWTMXDPFLTVBTG-UHFFFAOYSA-N 436.534 2.286 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CN4CCCC4=O)cc3)CC2)cc1 22903469 ZKLXWWJNAQBBLQ-UHFFFAOYSA-N 441.553 2.264 0 40 IEAB CCOC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)N[C@H]1c1ccccc1 26912371 VOFWWAQAQSYROK-IBGZPJMESA-N 444.532 2.410 0 40 IEAB Cc1cc(I)ccc1NC(=O)CN1C(=O)[C@@H]2CCCCN2C1=O 32842872 JLIMQTUSRJPRGS-ZDUSSCGKSA-N 427.242 2.355 0 40 IEAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC[C@H](c2nnc3ccccn23)C1 32904381 LTPUSNPXCWCMBM-SFHVURJKSA-N 444.495 2.385 0 40 IEAB Cc1cccnc1NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36365523 JBPUMRNRGSBOMB-MRXNPFEDSA-N 428.514 2.166 0 40 IEAB O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cc1 36390783 PXYYSEBRZIMAQC-OALUTQOASA-N 427.501 2.499 0 40 IEAB O=C(CN[C@@H]1C=CS(=O)(=O)C1)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 72393458 LRAIYCSKDJJWES-OAQYLSRUSA-N 449.592 2.118 0 40 IEAB CCOC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(Cl)c(OC)cc2OC)C1)C(C)C 89978065 ICOIQTMAKFLTGT-SGTLLEGYSA-N 426.897 2.414 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@H](C)c4n[nH]c(=O)c5ccccc45)C3)cc2n1 100137892 PZYUSXNNYIQRJN-CABCVRRESA-N 432.484 2.490 0 40 IEAB COC(=O)c1cn(C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c2ccccc12 222629713 WDTNTWXGMDUVIZ-UHFFFAOYSA-N 441.509 2.053 0 40 IEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1cccc(CN2CCCC2)c1 224627750 AFVZCUPFEXBQPG-UHFFFAOYSA-N 427.526 2.133 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225421437 JRQDXLPDZUKZCB-KRWDZBQOSA-N 449.548 2.372 0 40 IEAB CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)C1 260507409 LDEHKHSEUTXEAK-AWEZNQCLSA-N 426.926 2.410 0 40 IEAB Cc1ccc(CC(=O)N2CC[C@H]3Cn4c(nn(Cc5cccc(F)c5)c(=O)c4=O)[C@@H]3C2)cc1 306137493 QXSYNADOPGDMOZ-PZJWPPBQSA-N 448.498 2.089 0 40 IEAB CN(C)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 575421490 ISUSUHASPGSHMI-IBGZPJMESA-N 428.620 2.474 0 40 IEAB C[C@@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1C(=O)C12CC3CC(CC(C3)C1)C2 585097704 MXIHWZBQJGXHQE-NXTQRVMMSA-N 426.561 2.404 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1 585147168 SFTCPOLMYWKGBI-GFCCVEGCSA-N 432.271 2.229 0 40 IEAB COCCOC(=O)c1c(NC(=O)CN2c3ccccc3C[C@H]2C)sc(C(N)=O)c1C 3495615 PVYGCMZLIURMMJ-GFCCVEGCSA-N 431.514 2.348 0 40 IEAB CCCCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C 6162161 CTJMLAAFRZGLAE-UHFFFAOYSA-N 446.529 2.226 0 40 IEAB COc1ccccc1C(=O)NC(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl 8882531 LCQGFFFKEBYVAL-UHFFFAOYSA-N 439.251 2.232 0 40 IEAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCOCC2)s1 8912431 RETDKFMAZVJRED-UHFFFAOYSA-N 436.964 2.260 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@](NC(=O)c3ccco3)(C(F)(F)F)C2=O)cc1OC 9419447 JCPPJDLMDWMPSC-GOSISDBHSA-N 441.362 2.080 0 40 IEAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@@]3(CCc4ccccc43)C1=O)O[C@@H](C)C2 9778594 WQBAGWWFWQPHJB-ODCWNRFASA-N 449.507 2.418 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(F)cc2F)cc1 9806218 XHWTWNCSZSSGFU-HNNXBMFYSA-N 437.468 2.181 0 40 IEAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCNc1ccc(Br)cc1 10049560 TWBYVUJUCCGJIX-UHFFFAOYSA-N 445.321 2.260 0 40 IEAB C[C@@H](Oc1ccccc1)C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071588 NXKFZCXBQJSYFM-MRXNPFEDSA-N 435.459 2.364 0 40 IEAB COc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1NC(C)=O 12765574 ACSFEVUIBPJNAS-CYBMUJFWSA-N 440.543 2.439 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1 12912912 OPOQCPPTJIKAIY-UHFFFAOYSA-N 439.468 2.278 0 40 IEAB CN(C(=O)CN1CCC[C@H]1c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13031633 ZHDROIIAIACKIY-INIZCTEOSA-N 439.541 2.029 0 40 IEAB COc1ccccc1-c1nnc2ccc(OCCNS(=O)(=O)c3ccccc3)nn12 13539597 IWDBAPMFNYJLQQ-UHFFFAOYSA-N 425.470 2.157 0 40 IEAB O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14254196 CCKDAJROJWGXIN-INIZCTEOSA-N 425.510 2.440 0 40 IEAB CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)ncn3n2)cc1 15772671 INHYPVYDBCDIDW-UHFFFAOYSA-N 431.452 2.166 0 40 IEAB O=C(CN1CCOCC1)N1CCc2nc(N3CCCC3)nc(Nc3cccc(F)c3)c2C1 19293966 GNHJGUYIYDURHJ-UHFFFAOYSA-N 440.523 2.176 0 40 IEAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)CCc2nc(-c3ccncc3)no2)CC1 19573627 GSMOQZSVNAMLFL-UHFFFAOYSA-N 441.513 2.269 0 40 IEAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)CN4CCCC4)nc32)c1 19698673 FSBSLJCTGXZQGC-UHFFFAOYSA-N 437.544 2.327 0 40 IEAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCOCC2)nc2c1CC(=O)N2Cc1ccccc1 19739741 KKKJPNSUUQRSKA-OAQYLSRUSA-N 449.555 2.260 0 40 IEAB COCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O 19822658 QCNZEHCLGJWCSJ-UHFFFAOYSA-N 446.617 2.272 0 40 IEAB CCN1C[C@H](CN(C)Cc2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2ccccc21 21319380 MDCJDWVEDACJGI-FQEVSTJZSA-N 445.585 2.427 0 40 IEAB Cc1ccc([C@@H](CNC(=O)C(=O)NCCc2c[nH]c3ccccc23)N2CCN(C)CC2)cc1 22796688 LCKFPPIADBEYKU-XMMPIXPASA-N 447.583 2.240 0 40 IEAB Cc1cc(C(=O)CN2CCN(c3ccc(O)cc3)CC2)c(C)n1[C@@H]1CCS(=O)(=O)C1 23696269 CJDBRYIIMBCYAQ-LJQANCHMSA-N 431.558 2.175 0 40 IEAB COc1ccc(CC(=O)OCC(=O)N2CCN(Cc3cccc(C)c3)CC2)c(OC)c1 24539860 YJWODFSETKSWCM-UHFFFAOYSA-N 426.513 2.442 0 40 IEAB Cn1cnc2c1c(=O)n(CC(=O)N[C@H](c1ccccc1)c1cc3ccccc3o1)c(=O)n2C 24709031 GNDPVORATNNDNV-HXUWFJFHSA-N 443.463 2.086 0 40 IEAB COc1cc(N2C[C@H](C(=O)NCCCN3CCC(C)CC3)CC2=O)cc(OC)c1OC 30565182 PTZFAJQUHFCYAG-QGZVFWFLSA-N 433.549 2.304 0 40 IEAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)c1 32810036 ACNZDAJKEUGBTK-UHFFFAOYSA-N 444.601 2.154 0 40 IEAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 35313243 XHVCDDNFVURJPI-YECSIJRFSA-N 429.561 2.053 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[nH]c(=O)c21 40388957 GDPLMALTWYNNLQ-KBPBESRZSA-N 425.489 2.388 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)N[C@@H](C)c4ccc(C)cc4)c(=O)c3s2)CC1 67319315 RCTMZJXLVSYHPF-INIZCTEOSA-N 440.573 2.181 0 40 IEAB Cc1c(C(=O)N[C@H](C)C(C)C)nnn1-c1cccc2c1CCN(S(=O)(=O)C(C)C)C2 69972825 QEESJERDRYKCEO-OAHLLOKOSA-N 433.578 2.446 0 40 IEAB COC(=O)c1ccc(NC(=O)CN2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 77100647 AGRPQNUBPIJNAR-UHFFFAOYSA-N 449.511 2.176 0 40 IEAB COC(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCN(C[C@H](O)COc2ccccc2)CC1 97141147 YBMLXNWCGCYCTH-RBBKRZOGSA-N 432.948 2.482 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@@H](C)c4n[nH]c(=O)c5ccccc45)C3)cc2n1 100137885 PZYUSXNNYIQRJN-LSDHHAIUSA-N 432.484 2.490 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)Oc2ccccc21 219270719 DXFLBGWYFKQNPW-INIZCTEOSA-N 448.888 2.233 0 40 IEAB COc1cccc(OCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1 225154390 RUYTVPNAQMDIOT-UHFFFAOYSA-N 426.922 2.305 0 40 IEAB CNC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)CN4CCC(C)CC4)CCO3)n2)cn1 257278730 ODKQZMVOIYGURR-JOCHJYFZSA-N 437.544 2.135 0 40 IEAB Cc1ncsc1CN1C[C@H]2[C@@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccn1 306127457 FZAVKKYGAIBWBO-DLBZAZTESA-N 443.554 2.078 0 40 IEAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(Cc3cccs3)CC2)C1 306132123 KZJVKKJMXIGRBH-JOCHJYFZSA-N 427.574 2.328 0 40 IEAB COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C1=O 408549288 SADUTVZHQMOBDI-VCHYOVAHSA-N 433.420 2.454 0 40 IEAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1 409206114 HRRPEVYBXTYLPI-SFHVURJKSA-N 431.558 2.491 0 40 IEAB O=S(=O)(CCc1cccc(Cl)c1)NCCNS(=O)(=O)c1ccc(F)cc1F 509748063 TYLLUQJPXOWFMW-UHFFFAOYSA-N 438.905 2.059 0 40 IEAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(C)c(F)c4)C[C@@H]23)n1 1549160773 BGNQGVCOJKDFAW-QGZVFWFLSA-N 426.452 2.160 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)c5cccc(F)c5)C[C@@H]4C3)ncn2)n1 2086896655 ITKIJFSDRYXBKR-IRXDYDNUSA-N 442.520 2.175 0 40 IEAB Cc1nc(N2CCN(c3ccc(=O)n(Cc4ccc(F)cc4)n3)CC2)c2ccncc2n1 2298104153 SJVKKBVDENBNNR-UHFFFAOYSA-N 431.475 2.404 0 40 IEAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c(C)c1 1363867 APTPMDCFIFMKMN-QGZVFWFLSA-N 440.529 2.319 0 40 IEAB CCN(CC)CCCNC(=S)N(CCCO)Cc1cc2cc(OC)ccc2[nH]c1=O 6193066 ITAUGQQPRBQKIA-UHFFFAOYSA-N 434.606 2.328 0 40 IEAB COCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 8725038 ZXDJKRVQROGVRR-ZDUSSCGKSA-N 430.896 2.002 0 40 IEAB COc1ccc(-n2nc3c(c2NC(=O)COc2cccc(OC)c2)CS(=O)(=O)C3)cc1 8910341 BTUNKBILGWBXLG-UHFFFAOYSA-N 443.481 2.335 0 40 IEAB Cc1ccccc1-n1c(-c2ccc3c(c2)OCO3)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9010053 BWCLMXDFFRCHNT-UHFFFAOYSA-N 429.436 2.380 0 40 IEAB Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)COc3ccccc3F)c2=O)cc1 9016319 MIODKWLDLZDUSK-UHFFFAOYSA-N 435.459 2.284 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(-n2cnnn2)c1 9319660 ILTBRICUEVRWEQ-UHFFFAOYSA-N 427.471 2.172 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1S(N)(=O)=O 9493506 SHSDFLOCQPBZMB-UHFFFAOYSA-N 426.394 2.042 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O 9507488 JOVHDRHIIGEHKK-NRFANRHFSA-N 429.860 2.195 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2ccc3c(c2)OCO3)cc1 9671666 ZCMNITNVBSVTLH-UHFFFAOYSA-N 432.498 2.335 0 40 IEAB CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(OC)cc3OC)c2n1 9739290 BJRQUHFNTUDOTD-UHFFFAOYSA-N 435.440 2.291 0 40 IEAB Cc1sc2ncn(CC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)c(=O)c2c1C 9873891 BKQZXFFSUPERLR-QGZVFWFLSA-N 445.566 2.291 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cc(C)cc(C)c2)cc1OC 10111580 UCRLVNWZFGALCM-UHFFFAOYSA-N 449.573 2.194 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4)c(=O)n(C)c3nc2n1CCCn1ccnc1 10233633 SGRVGJPMGCGFMP-UHFFFAOYSA-N 431.500 2.101 0 40 IEAB COc1cccc(-c2nnc3ccc(OCCNS(=O)(=O)c4cccc(C)c4)nn23)c1 11694567 BLTRWHNFVVYITR-UHFFFAOYSA-N 439.497 2.466 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C4CC4)nn3-c3nc(C)cc(=O)[nH]3)CC2=O)cc1 12123697 UMZMKKJUGQEYAT-MRXNPFEDSA-N 432.484 2.441 0 40 IEAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)c(C)n1C1CC1 13117469 PIAVJUHFRVUOEG-JOCHJYFZSA-N 433.472 2.065 0 40 IEAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1Cc1ccccc1 13128827 GCPMCULGGWYYMG-ZDUSSCGKSA-N 431.543 2.402 0 40 IEAB O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCC1 13151051 MMKANRJHPRRIQB-UHFFFAOYSA-N 435.571 2.114 0 40 IEAB CCN(Cc1cc(=O)n2cc(C)ccc2n1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 14140664 AVQNDPPYGIPBBU-UHFFFAOYSA-N 435.484 2.279 0 40 IEAB Cc1cccc(N2C(=O)[C@H]3C=C[C@H](n4nc(O)n(Cc5ccccc5)c4=O)C[C@@H]3C2=O)c1 16349504 ZQSQZUXEKWFBQC-UFYCRDLUSA-N 430.464 2.414 0 40 IEAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H](C)CN3CCOCC3)C1)N2 19127244 YTRXWUABUZDPQG-LAVFITLUSA-N 425.524 2.389 0 40 IEAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN(CC(=O)N5CCC5)C4)nc32)cc1 19743765 MFCNJTCBTPFDHV-LJQANCHMSA-N 449.555 2.295 0 40 IEAB CN1CCN(C(=O)Cn2cc(C(=O)NC3CCCCC3)ccc2=O)[C@H](c2ccccc2)C1 19751664 GKTXRDPYZNLANA-QFIPXVFZSA-N 436.556 2.426 0 40 IEAB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 20492182 ITMANKPWVBCUAI-OAHLLOKOSA-N 434.514 2.500 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)NCCNC(=O)Cc3c[nH]c4ccccc34)CC2=O)cc1 20727811 PENKGKFUGSXQES-KRWDZBQOSA-N 434.496 2.005 0 40 IEAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccccc1F 22228749 ONTINGICWNNEEE-UHFFFAOYSA-N 433.505 2.298 0 40 IEAB CCN(c1cc(OC)c(OC)cc1C(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O 22252157 ZQJTYLWJSSDTNS-UHFFFAOYSA-N 447.557 2.452 0 40 IEAB COc1ccccc1N1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 22768873 XOCAKVRVUVHHTK-OAHLLOKOSA-N 426.542 2.126 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@@H]21 22770436 XLOVKIKKBWMGFL-WOJBJXKFSA-N 449.467 2.412 0 40 IEAB CCOC(=O)C1=C(Cn2ncc(Cl)c(Cl)c2=O)NC(=O)N[C@H]1c1ccc(C)o1 31682886 UURJHQQIIOAABK-AWEZNQCLSA-N 427.244 2.323 0 40 IEAB CC(=O)N1[C@@H](C)CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H]1C 32088023 LRMADKFQHZGZLJ-UWVGGRQHSA-N 434.443 2.341 0 40 IEAB COc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC(F)F 35671665 NVTGHROWQSSRQK-OLZOCXBDSA-N 426.441 2.266 0 40 IEAB Cc1oc(C(=O)NCc2ccnc(-n3ccnc3C)c2)cc1S(=O)(=O)N1CCCC1 48332209 CAKHWTZPVUTOOC-UHFFFAOYSA-N 429.502 2.192 0 40 IEAB Cc1c(CCC(=O)NCc2cccnc2OCc2ccccc2)c(=O)[nH]c2c1c(=O)[nH]n2C 58438413 OAYLSHAXGYSTES-UHFFFAOYSA-N 447.495 2.086 0 40 IEAB CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)c1 72359154 NOUZVJVGXAMZFG-KRWDZBQOSA-N 440.529 2.404 0 40 IEAB Cc1c(C(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)cccc1S(N)(=O)=O 95973664 NMSUKBCEPPDSHP-UHFFFAOYSA-N 430.313 2.109 0 40 IEAB COc1ccc(OC)c(N2C(=O)/C(=C\N[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c1 102611019 DXGJDVBKZKPALU-HIXWQLQUSA-N 442.493 2.008 0 40 IEAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 102897661 CDOMSEVZSPDGFR-HUUCEWRRSA-N 446.529 2.338 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N(C)Cc1nc(-c3cccs3)no1)O2 219401070 XZUCECFWUQLJAZ-OAHLLOKOSA-N 448.526 2.292 0 40 IEAB Cc1cccc(N([C@@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1 220132246 QPJCLLSQRAEBSS-HNNXBMFYSA-N 439.559 2.184 0 40 IEAB CCOC(=O)C1CCN(C(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)CC1 222678381 NWWNMJMISYSHGK-UHFFFAOYSA-N 432.489 2.313 0 40 IEAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)c1 223430075 SUHXAVXTXNBRII-UHFFFAOYSA-N 427.406 2.217 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NC[C@](O)(c1ccsc1)c1cccs1 245020866 MKVWSOJYTHICHU-FQEVSTJZSA-N 430.507 2.207 0 40 IEAB CC1(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C(N)=O)CCN(C(=O)c2ccccc2)CC1 257259730 KZSBEAJCRZSDPD-QFIPXVFZSA-N 448.567 2.127 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 260769559 PKZCGVFQPFXJHT-JLTOFOAXSA-N 434.514 2.498 0 40 IEAB COc1ccc2c(c1)CC[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc3ccccc31)C2 680057973 LZMLXWDRMNTCAK-QGZVFWFLSA-N 427.526 2.263 0 40 IEAB COCC(=O)N1CCC[C@@H](c2nc(=O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3[nH]2)C1 1334388 AYSZGZIXWRZGAV-MRXNPFEDSA-N 438.532 2.213 0 40 IEAB Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1C 1363860 XVXZNKZMLRVCHU-KRWDZBQOSA-N 440.529 2.319 0 40 IEAB Cc1cccc(-n2nnnc2SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 2616386 YAQUSYKBHKZIGC-UHFFFAOYSA-N 435.513 2.499 0 40 IEAB CC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)n1C 8704294 NMYIDLDALZLUGR-UHFFFAOYSA-N 449.298 2.037 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CCC(=O)N2[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 9033978 CGIPXYGWHXZFDV-KSFYIVLOSA-N 440.452 2.189 0 40 IEAB biogenic COc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccccc4F)CC3)CC2=O)cc1OC 9568827 MPKVOBSJANDFLL-MRXNPFEDSA-N 442.491 2.480 0 40 IEAB O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)NN1C(=O)NC2(CCCCC2)C1=O 9604472 UDTPRISXYFPJBC-UHFFFAOYSA-N 449.463 2.360 0 40 IEAB COc1ccccc1N1C[C@@H](C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)CC1=O 9670706 IUZJFIHMDOCPGG-AWEZNQCLSA-N 434.456 2.302 0 40 IEAB O=C(CSc1ncc(CO)n1CC(=O)NC1CC1)Nc1ccc(OC(F)(F)F)cc1 9827488 BABAGMRBRCGZJJ-UHFFFAOYSA-N 444.435 2.283 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N[C@H](C)c1ccccc1F)c(=O)n2Cc1ccccc1 9983224 CZTYRVSALZUUQD-MRXNPFEDSA-N 449.486 2.444 0 40 IEAB Cc1nc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12548366 GCHPZBKNGUYZNC-UHFFFAOYSA-N 438.553 2.367 0 40 IEAB COc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1S(=O)(=O)N1CCOCC1 12610129 CQSACVLDPUFOGJ-UHFFFAOYSA-N 429.498 2.460 0 40 IEAB CC(=O)c1cc2c(cc1NC(=O)CNc1cccc(S(=O)(=O)N3CCCC3)c1)OCO2 12644164 LONYAHPXQXCYKQ-UHFFFAOYSA-N 445.497 2.453 0 40 IEAB Cc1cc(I)ccc1NC(=O)Cn1nc2n(c1=O)CCCCC2 12789636 QXUQBRBCLRSPBZ-UHFFFAOYSA-N 426.258 2.323 0 40 IEAB CC(=O)N1CCN(C(=O)CCN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 12852523 MEXKKOVLEIKISB-UHFFFAOYSA-N 429.542 2.271 0 40 IEAB CN(Cc1ccc(F)cc1)C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12866738 IEFSYNRHJSWLKD-UHFFFAOYSA-N 437.512 2.320 0 40 IEAB COc1cc(C(C)=O)ccc1OCC(=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O 13603636 IYZHHBCNVPUITI-UHFFFAOYSA-N 439.443 2.456 0 40 IEAB C[C@@H](OC(=O)CCn1c(=O)oc2cc(Cl)ccc21)C(=O)Nc1ccc(C(N)=O)cc1 14246054 NKEIWARTQLQVTK-LLVKDONJSA-N 431.832 2.307 0 40 IEAB COc1ccccc1CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 14603622 FQIFMOSQGCGBSO-IAGOWNOFSA-N 432.542 2.466 0 40 IEAB COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3[nH]2)ccc1OCC(N)=O 15084856 IAWSLCQENRFFDL-AWEZNQCLSA-N 446.467 2.404 0 40 IEAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N1CCN(C(=O)OCC)CC1 16390177 ROPVQQQIWYTCEP-UHFFFAOYSA-N 444.454 2.055 0 40 IEAB COc1ncc(-c2nc(NCCN3CCOCC3)ncc2-c2ccsc2)c(OC)n1 19594870 OYZKXFMHJWJVPD-UHFFFAOYSA-N 428.518 2.423 0 40 IEAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCN(C(C)=O)CC2)cc1 19636455 PMMUGEFZYCVSTD-UHFFFAOYSA-N 442.541 2.499 0 40 IEAB CC(C)(C)C(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 19699420 AQWRSNVMGFOYTO-UHFFFAOYSA-N 440.544 2.250 0 40 IEAB CCc1cc(C(=O)N2CCO[C@@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)on1 19762781 GJPVZUQIHBEZET-OAQYLSRUSA-N 438.484 2.375 0 40 IEAB Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)N[C@H](C)CN1CCOCC1 22485726 SVSNFYWJYQZKLC-KOLCDFICSA-N 427.265 2.371 0 40 IEAB Cc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)no1 22804175 OGRINIBJWHUYBD-UHFFFAOYSA-N 425.411 2.197 0 40 IEAB O=C(C[C@@H]1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1ccc(F)cc1 23411666 NJVFQSXOJXRRGJ-HXUWFJFHSA-N 437.475 2.424 0 40 IEAB O=C(CSc1nnc(NCc2ccco2)s1)NN1C(=O)NC2(CCCCC2)C1=O 23818501 MNGQXXHOYKZLRE-UHFFFAOYSA-N 436.519 2.121 0 40 IEAB Cc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)N2CCOCC2)o1 25399112 MKPOELVIFYYKRS-LJQANCHMSA-N 440.475 2.385 0 40 IEAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 29761783 MRPZVFXGPXYJEJ-UHFFFAOYSA-N 445.541 2.346 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 32853766 JODDZLJIIGFLLT-FCHUYYIVSA-N 438.528 2.306 0 40 IEAB Cc1cc(Cc2ccc(S(=O)(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2)c(=O)[nH]n1 33026776 SZAHZLGMKXCAGM-JOCHJYFZSA-N 438.553 2.347 0 40 IEAB COc1ccccc1-n1ccn2c(SCC(=O)NCCc3ccccc3)nnc2c1=O 46046996 QTSWSYGJENDKRD-UHFFFAOYSA-N 435.509 2.340 0 40 IEAB COc1ccccc1N1CCN(C(=O)COc2coc(CN3CCCCC3)cc2=O)CC1 49548216 WHJMIJYUHKFWOT-UHFFFAOYSA-N 441.528 2.362 0 40 IEAB Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5cc(C)n[nH]5)nc34)n2)c1 67218895 HOUGNBWEFUQJJL-UHFFFAOYSA-N 430.428 2.192 0 40 IEAB COc1ccc([C@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)c(OC)c1OC 96115065 GFXOMACXMPHZSX-HNNXBMFYSA-N 433.457 2.060 0 40 IEAB biogenic COc1ccc(Cl)cc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 101388192 VUVKKZUXXQAZDA-IRXDYDNUSA-N 431.811 2.420 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 101592964 UTYXMQOBMVGVFW-BURNTYAHSA-N 429.432 2.209 0 40 IEAB Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 139105266 MQAMCAMCWCOZFB-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 223050319 XQPAKHNSTYDDGS-UHFFFAOYSA-N 435.521 2.112 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)s1 224735628 NNRSHUSRCCIBLW-UHFFFAOYSA-N 442.910 2.411 0 40 IEAB CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(CC(=O)Nc2cnn(C)c2C)C1 257255957 KJNZGDGKAKVJAP-QHCPKHFHSA-N 442.564 2.384 0 40 IEAB CN1CCN(C(=O)C[C@H]2CN(C(=O)C3CCOCC3)CC[C@@H]2Oc2ccc(F)cc2)CC1 257344266 ZWJASZLZDYDCLQ-UGKGYDQZSA-N 447.551 2.012 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O 408617298 ANBLPIACIOWTOX-UHFFFAOYSA-N 428.507 2.023 0 40 IEAB CC(=O)c1ccc(OCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 3323199 ARQUYAOCBPGYKT-UHFFFAOYSA-N 425.485 2.202 0 40 IEAB Cc1cc(=O)oc2cc(OC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)ccc12 3397377 BBADOSKHQBMLCW-UHFFFAOYSA-N 447.440 2.481 0 40 IEAB CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)cc1Cl 3417515 RYVBEPFPNHAENK-UHFFFAOYSA-N 430.357 2.432 0 40 IEAB O=C(O)Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@@H](C(=O)O)O2 6183061 LLRVIIZNKCRMGG-HNNXBMFYSA-N 445.371 2.373 0 40 IEAB CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)nc1C 6599639 NAYGSTLHHNMTEL-UHFFFAOYSA-N 448.486 2.063 0 40 IEAB C[C@H](OC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)N1c2ccccc2NC(=O)C1(C)C 7834340 XVQUTHSORRQUSK-GJZGRUSLSA-N 427.501 2.473 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccc(O)cc3)C2)cc1 9418944 GHXLSZHMKQPPIR-SFHVURJKSA-N 445.541 2.110 0 40 IEAB CSCC[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccco1 9487565 CAZBQTMLFOBDEB-XGHQBKJUSA-N 445.566 2.404 0 40 IEAB biogenic COc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[nH]2)c1 9518026 AKKXRTYANVRFAV-UHFFFAOYSA-N 425.470 2.344 0 40 IEAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 9519290 SOVGYNCHTOSBOJ-LBPRGKRZSA-N 445.907 2.209 0 40 IEAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)[C@@H]1C 9562452 GHIZWWXABHWRDW-IIDMSEBBSA-N 438.546 2.274 0 40 IEAB CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2OC)cc1 9634350 BGOJGAXPLKNJLM-UHFFFAOYSA-N 449.529 2.266 0 40 IEAB O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1Cl 9807071 QDIOVRFNGUJVIN-LBPRGKRZSA-N 427.935 2.310 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(N2CCCC2=O)c1 9869800 ZYGQXDMDFIQKFB-UHFFFAOYSA-N 429.498 2.087 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1 12142938 FIWKFJITRMHUNN-UHFFFAOYSA-N 444.557 2.393 0 40 IEAB O=C(c1cc(C2CC2)n([C@@H]2CCS(=O)(=O)C2)n1)N1CCN(c2ccc(F)cc2)CC1 12229825 VIFXCWZVTQEENG-GOSISDBHSA-N 432.521 2.222 0 40 IEAB Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccccc1COc1ccccc1)c(=O)n2C 12535021 LTHSBAXTZONUOI-UHFFFAOYSA-N 448.479 2.260 0 40 IEAB CC[C@@H](C)N(C(=O)COC(=O)/C=C/c1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 12642959 ZALPMPVEYSKMKG-AMMZPXFLSA-N 439.530 2.074 0 40 IEAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 13032006 NGCCYMSGIQSXFF-IBGZPJMESA-N 439.553 2.044 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCc2ccc3c(c2)OCCO3)C(C)C)cc1 13134360 JYUBGMPEFNIVIX-NRFANRHFSA-N 432.542 2.428 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(C)c(Cl)c2)cc1 13672184 PPKGJIMYAHFQQR-UHFFFAOYSA-N 449.960 2.453 0 40 IEAB COc1ccc(-c2cc3ccc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)cc3oc2=O)cc1 13689711 HEWYGZKZSSSBAH-MRXNPFEDSA-N 443.477 2.151 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)CSc2ccc3c(c2)CCC3)c(=O)[nH]c1=O 15514784 GFAZCWWCPBUBOE-UHFFFAOYSA-N 446.573 2.179 0 40 IEAB Cc1cccc([C@@H](Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)Cn2cccnc2=O)c1 19234452 CKLIXHDAYQVGBC-HXUWFJFHSA-N 432.528 2.385 0 40 IEAB O=C(c1ccco1)N1CCN([C@@H](c2ccc(F)cc2)c2nnnn2C[C@@H]2CCCO2)CC1 19342085 HFJCZJPQWPINSL-ICSRJNTNSA-N 440.479 2.132 0 40 IEAB CCc1nc(N2CCOCC2)ncc1C(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 19521525 ZARVUFHHEJQVBW-KRWDZBQOSA-N 449.515 2.340 0 40 IEAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@@H]1CC(=O)OC12CCCCC2 19697254 RNZALJSZDVQTSZ-SFHVURJKSA-N 436.512 2.428 0 40 IEAB CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)nc2c1CCN(C(C)=O)C2 19708451 ABJRGIUCDNWSDO-IBGZPJMESA-N 447.536 2.478 0 40 IEAB CNc1nc([C@H]2CCCCN2C(=O)Cc2c(C)noc2C)nc2c1CCN(C(C)=O)C2 19708669 HXDOPHNTSCEXGQ-LJQANCHMSA-N 426.521 2.324 0 40 IEAB COCCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O 19822779 OPNWAUILIHTVHJ-UHFFFAOYSA-N 446.617 2.272 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(F)c(F)c1F 20022283 KCZCKQQPBPXSMW-UHFFFAOYSA-N 444.431 2.451 0 40 IEAB COC(=O)CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 24467075 IDVOCKQETZCKMU-UHFFFAOYSA-N 436.574 2.426 0 40 IEAB COC(=O)C1(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)CCCCC1 25172597 VMRXSTZMXLJPTM-UHFFFAOYSA-N 426.535 2.378 0 40 IEAB COc1ccc(N2C(=O)C(=O)N(CC(=O)Nc3cccc(Br)c3)C2=O)cc1 32736627 VAOCMTWPBVLJJK-UHFFFAOYSA-N 432.230 2.392 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CC1 32824365 KXVYLVHRDBSTBY-CYBMUJFWSA-N 432.452 2.062 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2c(OC)nc(N)nc2s1 32908204 WSIMMBBWZCTFQD-AWEZNQCLSA-N 425.470 2.278 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1 48301703 QFGQTDIBWKGSTJ-UHFFFAOYSA-N 436.477 2.410 0 40 IEAB CC1CCN(C(=O)C2=NN(Cc3nc(C4CC4)no3)c3ccccc3S2(=O)=O)CC1 49402559 GISQIJOCIUDDJT-UHFFFAOYSA-N 429.502 2.313 0 40 IEAB COC(=O)CNC(=O)[C@@H]1CCCN(c2nc3c(-c4ccc(C)cc4)csc3c(=O)[nH]2)C1 49421305 XLQYHEBGPDRLSP-OAHLLOKOSA-N 440.525 2.466 0 40 IEAB COc1ccccc1N1CCN(CCNC(=O)c2ccc(OC)c(OC)c2OC)CC1 56997323 GWDHVLKQKVUIGT-UHFFFAOYSA-N 429.517 2.273 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1ccc(F)cc1F 65237470 QXEYNNYMZMWNHS-UHFFFAOYSA-N 425.457 2.330 0 40 IEAB O=C1N[C@]2(CCc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)N1CCC(O)CC1 72334407 IIFCQGNNWBITET-JYFHCDHNSA-N 433.552 2.217 0 40 IEAB CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 95461549 KMOZFSBATHXCMK-DNVCBOLYSA-N 434.558 2.493 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C(=O)O)cc2)cc1 100626651 KQWJDELWBIHFNL-OKYOBFRVSA-N 428.466 2.389 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4Cl)[C@@H]3C2=O)cc1OC 101169783 JKHPCFOQJHXZNX-ROUUACIJSA-N 443.847 2.289 0 40 IEAB O=C(O)CCn1cc([C@H](C(=O)O)N2CCCN(c3ncccn3)CC2)c2ccc(F)cc21 105696211 BRSMVDUDBLLSLU-HXUWFJFHSA-N 441.463 2.383 0 40 IEAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCN(c3ncccn3)CC2)Oc2ccccc21 247955016 UYHFJLMGIQWKSW-DMNLGMSASA-N 433.512 2.080 0 40 IEAB C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@]2(CCC1=O)Nc1ccccc1S(=O)(=O)N2 253373089 HQRWKTTVHHQXEG-TXXWUTRGSA-N 448.589 2.183 0 40 IEAB COCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408635734 HZXYTHXFVACMMA-UHFFFAOYSA-N 434.558 2.390 0 40 IEAB O=C(c1cc(N2CCNC2=O)ccc1F)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 606346271 NSXVGCAKKFWRMD-UHFFFAOYSA-N 440.475 2.085 0 40 IEAB CCCOc1cccc(CCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)c1 1566548092 VBMXAFSMFKXAJK-KNQAVFIVSA-N 428.504 2.478 0 40 IEAB COc1cc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)ccc1-n1cnnn1 934258 LUKJAOXELHSRMN-UHFFFAOYSA-N 426.458 2.050 0 40 IEAB CC(C)CN(C(=O)COC(=O)/C=C/c1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 3368813 BQPZNBJTOACUNP-DIECRNLCSA-N 448.335 2.270 0 40 IEAB COc1cccc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1OC 3385551 MPQKFWADJGRSDE-UHFFFAOYSA-N 425.441 2.297 0 40 IEAB CCOC(=O)c1cnc(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nc1N 6089631 ZKDVUZYVQDYKQU-UHFFFAOYSA-N 435.531 2.006 0 40 IEAB COc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCC(=O)NC(C)C)s2)CC1=O 8906690 BQSGQAFPMCVZKQ-GFCCVEGCSA-N 449.558 2.155 0 40 IEAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1F 9127536 MXDSMOLNBQEXGF-QFIPXVFZSA-N 425.416 2.009 0 40 IEAB COc1ccccc1-n1nnnc1SCC(=O)N(C)C[C@H]1COc2ccccc2O1 9591920 DYSCCKFGCHAOCS-AWEZNQCLSA-N 427.486 2.061 0 40 IEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CNC(=O)c3cccs3)cc2)n1 9635333 VNCDRKJJNMEQAS-UHFFFAOYSA-N 445.526 2.324 0 40 IEAB CNS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 9670970 DKZITPIOQRGHAJ-OAHLLOKOSA-N 425.510 2.355 0 40 IEAB Cc1nn(C)c(C)c1NC(=O)CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9835307 BJKBFTLNTDECPY-UHFFFAOYSA-N 444.495 2.164 0 40 IEAB COC(=O)c1ccc(N2C[C@H](C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)CC2=O)cc1 12391590 PYIVWGZFDQPETM-QZTJIDSGSA-N 447.495 2.275 0 40 IEAB O=C(NCc1cc(-c2cccs2)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12725371 LDURTJRNDMCNQW-UHFFFAOYSA-N 433.511 2.354 0 40 IEAB O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12882642 MJPTUWAZEIGRBB-UHFFFAOYSA-N 434.489 2.314 0 40 IEAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccc2c(c1)OCCO2 12994277 KKCHSRWWUNWRSZ-HNNXBMFYSA-N 449.504 2.374 0 40 IEAB CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1 13085074 UJQSMTDHIJEMTN-OAQYLSRUSA-N 429.467 2.433 0 40 IEAB COc1ccc(CCNC(=O)c2nn([C@@H]3CCS(=O)(=O)C3)c3c2CCCC3)cc1OC 13690488 OVAXPOADEYAFPD-MRXNPFEDSA-N 447.557 2.111 0 40 IEAB COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc(OC)c1OC 15578648 NBQXZVGKRBXGMK-ZDUSSCGKSA-N 428.441 2.475 0 40 IEAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 17605222 FODOZRCWTWGOCN-UHFFFAOYSA-N 429.498 2.087 0 40 IEAB Cc1cnc(NC(=O)CN2CCO[C@]3(CC=CCN(CCc4ccccc4)C3=O)C2)s1 19704442 RNOBMLUARZVPPC-HSZRJFAPSA-N 440.569 2.492 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)C2CCCCC2)cc1Cl 19928847 ZITOETYBXOTHMR-UHFFFAOYSA-N 443.997 2.446 0 40 IEAB CCOc1ccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OC 20491178 QAHHLBHXAASRPG-OAQYLSRUSA-N 448.541 2.370 0 40 IEAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 20723375 IZKLCXFMNSMAPW-RTWAWAEBSA-N 439.443 2.417 0 40 IEAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 24973289 XWOCIVKYUSVYES-UHFFFAOYSA-N 427.574 2.004 0 40 IEAB COc1ccccc1N1CCN(C(=O)CSc2nc3ccsc3c(=O)n2C)CC1 26111034 IWVVUSAQLQCRLW-UHFFFAOYSA-N 430.555 2.445 0 40 IEAB COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1C(=O)N1CCOCC1 30754304 DSFRPEOQTJUBRJ-UHFFFAOYSA-N 448.541 2.433 0 40 IEAB O=C(C[C@H]1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n21)NCc1ccccc1 39964051 QRVPWRSYKWHEMD-QFIPXVFZSA-N 447.539 2.353 0 40 IEAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)C(=O)Nc1ccc2c(c1)OCO2 43941927 GRRCGIQTBXWMRO-UHFFFAOYSA-N 425.441 2.381 0 40 IEAB O=C(/C=C/c1ccco1)N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 43960601 KCDUHRXOUUFFDA-ZZXKWVIFSA-N 432.498 2.281 0 40 IEAB COC(=O)c1ccc(CN2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccc(C)cc32)o1 49402679 WVOIDLSESFBHFT-UHFFFAOYSA-N 431.470 2.104 0 40 IEAB COc1cccc(C(=O)N2CCC(NC(=O)[C@@H](Cc3ccccc3F)NC(C)=O)CC2)c1 57698962 MXAHDULKNHHOIE-JOCHJYFZSA-N 441.503 2.303 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 59292260 NDDPQCOWAXEYMF-QGZVFWFLSA-N 433.530 2.308 0 40 IEAB COC(=O)c1sccc1NC(=O)C[C@H](CN1CCN(c2ccccc2)CC1)C(=O)O 61721548 QAAVEOOTHHMXEW-OAHLLOKOSA-N 431.514 2.386 0 40 IEAB Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 72393477 MFRJWWPFTWGLTE-UHFFFAOYSA-N 442.535 2.146 0 40 IEAB NC(=O)c1nc(Cl)ccc1NC(=O)COc1ccc(I)cc1 89793233 UEEFJNWCHZZBKB-UHFFFAOYSA-N 431.617 2.456 0 40 IEAB COCCN1CCN(C(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)CC1 100116208 HKYLUSLOVIEYBY-DQHAIFDPSA-N 426.561 2.155 0 40 IEAB Cc1ccc(S(=O)(=O)c2cnn3c(=N)c(S(=O)(=O)c4ccccc4)c[nH]c23)cc1 101411440 KTTHQQWHUJQUFS-UHFFFAOYSA-N 428.495 2.116 0 40 IEAB O=C(NCC(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1)OCc1ccccc1 225779994 RSGJLHKUIVLLGJ-UHFFFAOYSA-N 426.860 2.159 0 40 IEAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccc(Cn2ccnc2C)c1 257200406 ADDUCESBPXBJSP-XMMPIXPASA-N 445.567 2.355 0 40 IEAB CN1CCC(CN(C)C(=O)c2c(O)ccc3c2O[C@@H]2C[C@H]4C[C@H](C4(C)C)[C@]2(O)[C@H]3O)CC1 257231586 GHJJUNOUMIRJLJ-UQJUYAFZSA-N 444.572 2.398 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NS(=O)(=O)c1ccc(F)cc1 257314128 UVKYKFNXVOTCMB-UHFFFAOYSA-N 426.491 2.037 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 2697312 CCLHTNIMQPXYAT-SQWSFHKJSA-N 436.489 2.122 0 40 IEAB CCOC(=O)c1c(NC(=O)Cn2c(C)nc3ccccc3c2=O)sc(C(=O)NC)c1C 3491416 IYEOACXLYQTNTM-UHFFFAOYSA-N 442.497 2.250 0 40 IEAB CN(C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(F)cc2)C1 5410405 HAFSHPGCWNAKCC-LSDHHAIUSA-N 427.480 2.139 0 40 IEAB biogenic,in-vitro CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O 6003352 UXLOBOBQZQUUPI-ZWKOTPCHSA-N 449.548 2.420 0 40 IEAB CC(C)n1c(SCC(=O)Nc2nc3c(s2)CCCC3)nc2c1c(=O)n(C)c(=O)n2C 6015197 ANJZSFYWCCWHIX-UHFFFAOYSA-N 448.574 2.081 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 6547320 AVZUVZFVRHMMJY-UHFFFAOYSA-N 431.923 2.161 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)n(-c2ccccc2)n1 9465163 VRSXOZCDEQKHHR-UHFFFAOYSA-N 448.888 2.277 0 40 IEAB Cc1ccc(S(=O)(=O)NCCc2nnc3ccc(NCCCOC(C)C)nn23)cc1 9578764 VCMBZNPZRXJTEX-UHFFFAOYSA-N 432.550 2.181 0 40 IEAB CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc1C 9586195 KMKHLAAHRICREE-LBPRGKRZSA-N 431.470 2.391 0 40 IEAB CN(C(=O)CN(C)[C@@H]1CCCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9642197 MYMWZLLYNQWMNY-HXUWFJFHSA-N 447.539 2.139 0 40 IEAB COCCNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 11696194 VUUBDLGIHZACNE-ZDUSSCGKSA-N 434.543 2.204 0 40 IEAB Cc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3ccc(-n4cnnc4)cc3)CC2)n1 12142966 IUMFRPOGYIZBBM-UHFFFAOYSA-N 433.516 2.222 0 40 IEAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C 12558024 RYUAKQAXJQPPQO-UHFFFAOYSA-N 445.589 2.122 0 40 IEAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12613146 VDYGXXJAKNYLFI-IBGZPJMESA-N 427.574 2.324 0 40 IEAB C[C@]12C=C[C@@]3(O1)[C@@H](C(=O)NC1CCCC1)N(C1CC1)C(=O)[C@@H]3[C@@H]2C(=O)NCc1ccccc1 12642415 BECBFNRVEMJVFB-OUKZFHLRSA-N 449.551 2.065 0 40 IEAB C[C@@H](Sc1nncn1Cc1ccco1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 12785921 NDMPCQOXJIWZFD-CYBMUJFWSA-N 435.531 2.289 0 40 IEAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1COc1ccccc1 13028463 OMXNGZTZORIRGW-SFHVURJKSA-N 430.526 2.031 0 40 IEAB Cc1c(O)ccc2c(CN3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc(=O)oc12 13062930 MPCOQAPYUSIVPZ-UHFFFAOYSA-N 428.510 2.455 0 40 IEAB O=C(O)CCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(F)cc4F)ccc3NC(=O)[C@H]12 15708888 VVQGLOKJXVLOBH-PXNSSMCTSA-N 443.406 2.148 0 40 IEAB biogenic,in-vitro Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(OCC(N)=O)cc1)N(CCN(C)C)C3=O 16742434 YQWRJKZKSPXUSZ-JOCHJYFZSA-N 449.507 2.381 0 40 IEAB O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)c1ccccc1 17178146 YAELNUJCPUPUOM-UHFFFAOYSA-N 437.456 2.349 0 40 IEAB CN(c1nc(N2CCCC2)nc2c1CN(Cc1ccccc1)CC2)[C@@H]1CCS(=O)(=O)C1 19586745 KAOOTDKIUKRUNT-LJQANCHMSA-N 441.601 2.258 0 40 IEAB CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1cccc(OC)c1 21713706 IMUBVJZNFNZTFG-UHFFFAOYSA-N 433.468 2.075 0 40 IEAB COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2OC)CC1 22928845 PSVAFMWDVXVGPT-JOCHJYFZSA-N 440.523 2.374 0 40 IEAB O=C(Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2F)n1)NCc1ccccc1 23145276 XNJFAHJSSZUJPU-UHFFFAOYSA-N 426.473 2.499 0 40 IEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 25920662 MSVQYLCUCBKTPC-UHFFFAOYSA-N 448.479 2.074 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(O)ccc34)CC2)cc1 31412458 ZOLWATINOZPRMS-UHFFFAOYSA-N 442.493 2.208 0 40 IEAB O=C(C1CCN(Cc2nc(-c3ccccc3)no2)CC1)N1CCN(c2ncccn2)CC1 40926779 FLPGFVZFSVUQNM-UHFFFAOYSA-N 433.516 2.087 0 40 IEAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 54360605 VETIPRLHUXVWSV-LXMRNRCJSA-N 425.466 2.124 0 40 IEAB CC(C)N(CCCNC(=O)[C@H](C)n1c(S)nnc1-c1cccs1)S(C)(=O)=O 58160307 BLCFSOFHVPIAGF-LBPRGKRZSA-N 431.609 2.033 0 40 IEAB COc1ccc(NC(=O)Cn2c(=O)n(C(C)C)c(=O)c3cc(OC)c(OC)cc32)cc1 71283875 RXHACYDLRPQTRP-UHFFFAOYSA-N 427.457 2.409 0 40 IEAB CC(C)(C)c1nnc(NC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2O3)s1 72326076 SMWIVASOBSVXRK-NRFANRHFSA-N 443.529 2.305 0 40 IEAB O=C(CN(C1CC1)S(=O)(=O)[C@H]1CCN(Cc2ccccc2)C1)NCc1cccs1 89834895 KAWLSMBYFQBENE-FQEVSTJZSA-N 433.599 2.433 0 40 IEAB Cc1nc(N)cc([C@]2(C)CCCN(C(=O)c3cccc(OCCN4CCOCC4)c3)C2)n1 257331054 XREUSOIQARUMCL-XMMPIXPASA-N 439.560 2.272 0 40 IEAB Cc1ccccc1OCCNC(=O)Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21 408566971 JLROCIRHIWCPGI-UHFFFAOYSA-N 449.507 2.186 0 40 IEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1 408655229 LTBNYQDETAWMGS-AWEZNQCLSA-N 429.860 2.324 0 40 IEAB COCCn1cc(C(=O)N2CCN(CCc3ccccc3)C[C@H]2C(N)=O)c2ccccc21 585168380 KHEHCIKFSXEQIT-QHCPKHFHSA-N 434.540 2.142 0 40 IEAB CC(=O)N1CCCN(C)CCN(C(=O)Cn2ncc3ccccc3c2=O)Cc2ccccc21 643557756 WGKURGINBHCQNJ-UHFFFAOYSA-N 447.539 2.114 0 40 IEAB CC(C)CCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 1261955 FGOWLCPLIAQZBO-UHFFFAOYSA-N 430.940 2.449 0 40 IEAB NS(=O)(=O)c1ccc(NC2=NC(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)S2)cc1 1797018 VNDMFXSXFPVNGL-CQSZACIVSA-N 438.918 2.426 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c1 2622113 XSRULGNPIRHRSN-UHFFFAOYSA-N 445.324 2.417 0 40 IEAB CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc(CC)c1 7425635 AKKFABAQVYKTLV-MRXNPFEDSA-N 429.521 2.028 0 40 IEAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9283743 KNXHECMKYMHZQC-UHFFFAOYSA-N 438.889 2.156 0 40 IEAB Cc1ccc(C)c(NC(=O)Cc2nc(COC(=O)CN3C(=O)NC(C)(C)C3=O)cs2)c1 9389131 KFAJIUNCRSUSSH-UHFFFAOYSA-N 444.513 2.315 0 40 IEAB O=C([C@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c2ccccc2O1)N1CCOCC1 9477385 TWKWTTFUKXYRPN-VQTJNVASSA-N 428.872 2.297 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccccc1 9494212 CCLHTNIMQPXYAT-YWFITGJYSA-N 436.489 2.122 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1 9670430 UZBSCAMGTUTXTB-UHFFFAOYSA-N 430.526 2.051 0 40 IEAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9916253 SQZNZDBITXASEF-UHFFFAOYSA-N 432.452 2.297 0 40 IEAB O=C1C[C@@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(F)cc2N1 10339795 RNHLOBBGPBEHFX-GOSISDBHSA-N 449.479 2.314 0 40 IEAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 10912389 QQKPYMAWFIREBS-UHFFFAOYSA-N 441.406 2.032 0 40 IEAB COCCNC(=O)CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O 11121284 YRZZOJPGSJWWJW-UHFFFAOYSA-N 425.304 2.387 0 40 IEAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 12229819 ZYSRHYOXMIBHQA-UHFFFAOYSA-N 441.488 2.133 0 40 IEAB Cc1ccc(-c2noc(CN3CCN(C(=O)Cn4c(=O)oc5ccccc54)CC3)n2)cc1 12746691 YJOPDLRIFOHUNO-UHFFFAOYSA-N 433.468 2.297 0 40 IEAB CC(C)CN(C(=O)C[C@H]1OC(=O)c2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13009914 ZYSIJZLPBXAYBU-MRXNPFEDSA-N 428.489 2.066 0 40 IEAB O=C1NC(=O)c2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)ccc21 14019203 QHJWGJRMJRFNOX-LBPRGKRZSA-N 447.900 2.263 0 40 IEAB C[C@H](C(=O)NCc1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14928811 PCRUFTCSGGWWNR-GFCCVEGCSA-N 434.008 2.474 0 40 IEAB CC(C)Cc1nn2c(=O)cc(COC(=O)CNC(=O)c3ccc(Cl)cc3)nc2s1 15733905 JOLNADWLPUACDG-UHFFFAOYSA-N 434.905 2.476 0 40 IEAB COc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1S(=O)(=O)N1CCCCCC1 16511025 ZRQBGUGGYJLWHY-UHFFFAOYSA-N 447.557 2.495 0 40 IEAB O=C(CCC(=O)c1ccccc1)NCCC(=O)OCC(=O)c1ccc2c(c1)OCCO2 16699087 ZLODUYHSWZQSIB-UHFFFAOYSA-N 425.437 2.353 0 40 IEAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc2c(c1)OCCO2 16978313 ZXVYUAKRGUUXRP-UHFFFAOYSA-N 447.494 2.454 0 40 IEAB Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccccc2)c1 17135584 IZZSJBARSVAOOR-UHFFFAOYSA-N 448.508 2.274 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O 19699704 BIQVWUXYCYNZIU-IBGZPJMESA-N 444.551 2.402 0 40 IEAB Cc1nonc1C(=O)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702207 VQXDZIRIPWQJJP-ZDUSSCGKSA-N 427.486 2.090 0 40 IEAB O=C1C[C@@H](N2CCC(O)CC2)C(=O)N1c1ccc(Br)cc1Br 19830797 QSHZJSLQFDFGSK-CYBMUJFWSA-N 432.112 2.300 0 40 IEAB COC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20006526 HLJNKTODKQQMAX-RDTXWAMCSA-N 440.949 2.389 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)Nc4cccc(SC)c4)c(=O)c3s2)CC1 21886441 BEECYGXDALQJDB-UHFFFAOYSA-N 444.586 2.356 0 40 IEAB CN(C)C(=O)CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)CC1 22921905 LKOWDSIYPIOYTM-QGZVFWFLSA-N 445.614 2.193 0 40 IEAB CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccc(F)cc1F 25064028 XWVLHCZBSVJPGP-UHFFFAOYSA-N 426.485 2.497 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)c(Br)c1 28324957 FDACTYYKPWBDHW-AWEZNQCLSA-N 445.335 2.058 0 40 IEAB CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)NCc2cccs2)c1=O 33141012 HIPYJGOLHUAQHN-UHFFFAOYSA-N 433.559 2.008 0 40 IEAB CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 35314533 BCJWMLUSRLMYTH-OAQYLSRUSA-N 432.540 2.496 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccs2)CC1 38490392 LVEMHTBUPNMWDB-ZWKOTPCHSA-N 432.567 2.386 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cn2ccnc2)cc1 38850515 BSOXJSBHPNPIMX-UHFFFAOYSA-N 426.498 2.205 0 40 IEAB CCOCc1nn2c(=O)cc(COC(=O)c3cc(OC)c(OC)c(OC)c3)nc2s1 41077276 PNWBFJFTURJMOF-UHFFFAOYSA-N 435.458 2.070 0 40 IEAB CC[C@H](C)[C@H](NC(=O)COc1ccc2c(c1)OC1(CCN(C(C)=O)CC1)CC2=O)C(=O)O 44690268 RXXJRICUTDGYGS-QKKBWIMNSA-N 446.500 2.027 0 40 IEAB biogenic COc1ccc(C(=O)N2CCC(NC(=O)[C@@H](Cc3ccc(F)cc3)NC(C)=O)CC2)cc1 57698920 LLKPNBXNPNYVIH-JOCHJYFZSA-N 441.503 2.303 0 40 IEAB CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 58026424 ZKQRFGFIBZIIDC-OAHLLOKOSA-N 433.496 2.416 0 40 IEAB CC(C)CCNC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc21 71772599 QNHXTUFHGIXCFQ-INIZCTEOSA-N 434.562 2.122 0 40 IEAB O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCCn1ccnc1 72327690 WWYUYXSVAZWNGD-NRFANRHFSA-N 430.892 2.069 0 40 IEAB NC(=O)[C@H]1CCCN1C(=O)CCC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1 72392010 JLWZQEJNLXMAOF-MRXNPFEDSA-N 430.505 2.090 0 40 IEAB COc1cccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5c(OC)cccc5[C@H]4[C@H]3C2=O)c1 79502134 UNZYQERRJYJOOV-DAYGRLMNSA-N 438.461 2.182 0 40 IEAB CC(C)(C)OC(=O)NC1CCN(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 85875377 BYNPTBDEUQQPIH-UHFFFAOYSA-N 442.516 2.237 0 40 IEAB biogenic O=C(NCc1nn(CCN2CCCC2)c(=O)c2ccccc12)c1ccc2nsnc2c1 90504345 OOACRWNFHABIFJ-UHFFFAOYSA-N 434.525 2.427 0 40 IEAB COc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)c1 101169608 MWEISQKPEYZLKQ-IRXDYDNUSA-N 431.811 2.420 0 40 IEAB COc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1OC(C)C 219989035 RFBAUOVVBHTJCP-UHFFFAOYSA-N 448.541 2.433 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222983957 BLGZKBNDIRIEGC-FQEVSTJZSA-N 449.548 2.454 0 40 IEAB CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 223192572 NJBIHHHWODAEIZ-HSZRJFAPSA-N 427.520 2.234 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223386517 CYYXFEKZMKXUFH-HXUWFJFHSA-N 447.557 2.015 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2cccc(C)c2C)cc1C(=O)N1CCOCC1 223926445 AXKHHFIUCPLVNJ-UHFFFAOYSA-N 448.541 2.142 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224020859 UXJPPVJNECUXHN-QGZVFWFLSA-N 447.557 2.015 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccc(F)cc1 224265852 JYSKPZLKFTYEBA-UHFFFAOYSA-N 449.548 2.303 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccccc1C(N)=O 225189890 GLVIVRCHAHFJIW-UHFFFAOYSA-N 431.514 2.150 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225195459 WTKYVWZCPWTKAZ-GOSISDBHSA-N 431.558 2.233 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2nnc(-c3ccc(OC)cc3)s2)s1 225681876 PRDHRMNJJMUBIS-UHFFFAOYSA-N 426.505 2.215 0 40 IEAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCC(N3CCOCC3)CC2)Oc2ccccc21 247959200 PIUZUXOCHPMGSP-ONFALJKLSA-N 439.556 2.265 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2C)C1 408658260 QLLBRTTWUOHPET-MRXNPFEDSA-N 439.468 2.069 0 40 IEAB COc1ccccc1NC(=O)COC(=O)[C@@H](C(C)C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408663716 QHTBNJFMSPJPEF-UVPINQTDSA-N 426.469 2.009 0 40 IEAB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NC4CCC(F)(F)CC4)[C@H]4CO[C@@H]3O4)c2cc1OC 952844597 AJHCHJMCLOMGGW-LTFPLMDUSA-N 439.459 2.247 0 40 IEAB biogenic,in-vitro CC(C)c1ccc(CN2CCC[C@]3(CC(C(=O)N[C@@H]4CCS(=O)(=O)C4)=NO3)C2)cc1 2056226425 RCHQSTJHGUNSSP-KNQAVFIVSA-N 433.574 2.224 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(CC)c3)c(=O)n2[C@H]1c1cccs1 2806367 QLWAABZJBNGTTC-FVLHSZHDSA-N 428.539 2.076 0 40 IEAB O=C(OCC(=O)N1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2cccs2)CC1 3244075 HETAFOWHQHWFDB-UHFFFAOYSA-N 448.566 2.277 0 40 IEAB CC[C@H](C)NC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O 4936272 APPRQSCMXIDLHY-KRWDZBQOSA-N 425.533 2.369 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CN(C)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9125862 KCHZYAOCOGHJIU-UHFFFAOYSA-N 446.305 2.436 0 40 IEAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N2CCN(C(C)=O)CC2)cc1 9301698 AAEBSUJKJNRTHR-INIZCTEOSA-N 428.514 2.125 0 40 IEAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nnc(C)c(=O)n1N 9385440 CKOHHEZCAUOSSW-UHFFFAOYSA-N 445.526 2.297 0 40 IEAB CCOC(=O)C1=C(COC(=O)CCc2c(C)nn(-c3ccccc3)c2C)NC(=O)N[C@@H]1C 9795779 XQNGPLSLOCGNCG-OAHLLOKOSA-N 440.500 2.483 0 40 IEAB COc1cc(OC)c(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1Cl 10934433 OJGXLIJVWUPFBD-UHFFFAOYSA-N 436.896 2.157 0 40 IEAB CC(C)c1ccc(O[C@H](C)C(=O)N2CCNC(=O)[C@H]2CC(=O)OC[C@@H]2CCCO2)cc1 12137467 NNINEZJGCABUAM-LSTHTHJFSA-N 432.517 2.017 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cc(C)on3)CC2)cc1OCC 12758061 VFJPASMAOUZGKA-UHFFFAOYSA-N 438.506 2.319 0 40 IEAB CCc1ccc(Cn2nccc2NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 12981448 DUIYKANVODNQKG-UHFFFAOYSA-N 431.504 2.182 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cn3nnc4ccccc4c3=O)CC2)cc1 13058849 FABKVUQDUNSUKF-UHFFFAOYSA-N 441.557 2.053 0 40 IEAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1ccc2[nH]ccc2c1 13733445 HMEAQODJLWNGQS-QGZVFWFLSA-N 440.525 2.324 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)cc1 19022569 MNNNCCKHUIDQFT-UHFFFAOYSA-N 437.543 2.012 0 40 IEAB CCN1CCN(C(=O)c2cc(C3CCN(C(=O)Cc4ccc(OC)cc4)CC3)no2)CC1 19527883 JJPKVABACVXWAG-UHFFFAOYSA-N 440.544 2.410 0 40 IEAB CC(C)n1nccc1C(=O)N1CCO[C@@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19702194 NACDNNLQZNABKH-MRXNPFEDSA-N 443.529 2.010 0 40 IEAB CCCCNC(=S)N(CCN1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O 19824671 KIRNLTSYAXVVEM-UHFFFAOYSA-N 432.590 2.346 0 40 IEAB Cc1ccc2c(c1)CCCN2C(=O)[C@@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O 21598246 WCDMICDILUOAHW-HXUWFJFHSA-N 440.521 2.374 0 40 IEAB CCN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(C)c2)CC1 22247275 AOYJOPPTZVADTB-NRFANRHFSA-N 445.585 2.057 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1OC 22795089 AISCWSGGZCGLQV-LJQANCHMSA-N 437.537 2.110 0 40 IEAB COc1ccc(CN2CCN(CC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 22810394 CNUWRWQLYLINGB-SFHVURJKSA-N 425.529 2.461 0 40 IEAB O=C(CCn1cnc2ccccc2c1=O)NCC(=O)Nc1ccccc1Br 24683257 JJSSZCPTYIPXKF-UHFFFAOYSA-N 429.274 2.304 0 40 IEAB CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1 27756898 IUUQYDQXNCSTGP-UHFFFAOYSA-N 426.497 2.272 0 40 IEAB CN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)NCc4ccco4)c(N)c23)C1 31808815 YZRQLKPBHDVBHU-UHFFFAOYSA-N 427.530 2.226 0 40 IEAB COCCNC(=O)c1nc(-c2ccccc2)cc2c1nc(C)n2[C@H]1CCS(=O)(=O)C1 32616394 ZGIPFGAPOKIBKG-INIZCTEOSA-N 428.514 2.143 0 40 IEAB CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)c1cc(Br)ccc1-n1nnnc12 35615817 VEEUHGAYILAKFA-UHFFFAOYSA-N 449.309 2.394 0 40 IEAB CCOC(=O)[C@@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3cccc(Cl)c3)NC(=O)N2)C1 67285551 QNTUDDDIPYPJCW-KDOFPFPSSA-N 435.908 2.396 0 40 IEAB COc1ccc(NC(=O)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2N)cc1 71772270 OWNLHSCKMVGFBW-UHFFFAOYSA-N 428.493 2.377 0 40 IEAB CN(CCOc1ccc(Cl)cc1)C(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 83861020 YLIHXYAJEYCVAK-UHFFFAOYSA-N 433.877 2.186 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CCCCC1 89493517 VVKCRJRHNJSYFF-INIZCTEOSA-N 428.576 2.307 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@H](O4)[C@@H]3C(=O)O)cc2)cc1 100626652 KQWJDELWBIHFNL-VJANTYMQSA-N 428.466 2.389 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c1 102988105 KWOKXVYXKWQOQJ-IBGZPJMESA-N 445.516 2.081 0 40 IEAB Cn1c(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc(=O)n(C)c1=O 257241005 HWFOWHRDARHXJK-MRXNPFEDSA-N 428.876 2.294 0 40 IEAB COc1ccc(-c2ccc3c([C@@H]4CN(C(=O)c5cnc(C)cn5)CCN4C)nnn3c2)cn1 306129731 ILECPTCHQZIJRU-FQEVSTJZSA-N 444.499 2.027 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 408598088 ZQBZSNMFUNXIQV-CYBMUJFWSA-N 436.486 2.104 0 40 IEAB C[C@H](C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1)n1nc(-c2ccc(F)cc2)ccc1=O 575618641 DXSMEDJFRJTCCL-MRXNPFEDSA-N 448.502 2.238 0 40 IEAB O=C(Cn1cnc(C2CC2)cc1=O)N1CC[C@@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@H]21 2087144470 XPYZNHOIBMKBDJ-RHSMWYFYSA-N 433.434 2.272 0 40 IEAB Cn1nc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c2ccccc2c1=O 3365518 LBNGSYTWRKCINA-UHFFFAOYSA-N 438.465 2.257 0 40 IEAB COc1cc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc(OC)c1OC 3414882 UBCJAIQYRVJGHA-UHFFFAOYSA-N 435.527 2.488 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCO3)CC2)cc1Cl 6601816 HGSNCHQCNKQVLU-OAHLLOKOSA-N 430.954 2.435 0 40 IEAB NC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1 9138259 WVYPVKIRUKCUKC-UHFFFAOYSA-N 427.954 2.242 0 40 IEAB COc1ccc(S(=O)(=O)NCCNc2ccc(Nc3cc(C)ccn3)nn2)cc1OC 11696813 RLVYNGWKWZQENN-UHFFFAOYSA-N 444.517 2.331 0 40 IEAB C[C@H]1CN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C[C@@H](C)O1 12232901 KOZMBDJYZSBPMH-IJEWVQPXSA-N 425.514 2.255 0 40 IEAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 12553562 LGNZEVREOPGULW-AWEZNQCLSA-N 428.580 2.361 0 40 IEAB C[C@]1(CSc2ccccc2C(=O)N2CCN(Cc3cccs3)CC2)NC(=O)NC1=O 12759767 QLENVDMFFLURIE-OAQYLSRUSA-N 444.582 2.396 0 40 IEAB COC(=O)C1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCCCC1 12942698 HFFHDCSZLZVLLN-UHFFFAOYSA-N 444.575 2.015 0 40 IEAB COCCN(CCOC)S(=O)(=O)c1cc(Br)ccc1Br 14160213 OLDXCXFQVJUOJG-UHFFFAOYSA-N 431.146 2.495 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 14233024 KWPSOMIBYTUBIE-BXKMTCNYSA-N 435.480 2.068 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(OC)c(OC)c3)CC2)cc1 15700366 XZKSUUVVJSBEGA-UHFFFAOYSA-N 448.541 2.430 0 40 IEAB COc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC[C@@H]1C)C[C@]1(CCC(=O)N(C)CC1)O2 19496265 UDAASQOSZPENSQ-BXKMTCNYSA-N 443.544 2.312 0 40 IEAB C[C@]1(C(=O)c2ccccc2N)[C@@H](C(=O)NCc2cccnc2)[C@H]1C(=O)NCc1ccncc1 19576110 MWEPVTQPUIDGRP-BPYKYCOYSA-N 443.507 2.127 0 40 IEAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)CN3CCC(C)CC3)nc(N(C)C)c2C1 19710258 ZOWCRVCOIDXCMA-OAQYLSRUSA-N 442.608 2.233 0 40 IEAB COCc1ccccc1CNC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1 23132587 SRDQEJNSTGKIHE-UHFFFAOYSA-N 426.502 2.017 0 40 IEAB CS(=O)(=O)Nc1cc(NC(=O)CCNC(=O)CCC(=O)c2cccs2)ccc1F 25516090 CGIMTYIKUFVMRH-UHFFFAOYSA-N 441.506 2.367 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1OCC 25608229 SIYXXJBSMNMFDO-BTYIYWSLSA-N 435.546 2.335 0 40 IEAB COc1ccc(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(OC)c(C)c2)c(OC)c1 28209987 YXGCRIHHKWPDBF-QGZVFWFLSA-N 448.497 2.339 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2[nH]c(=O)cc(C)c2c1 30947894 VFJCASUZVNWMPN-UHFFFAOYSA-N 432.454 2.441 0 40 IEAB CC(C)[C@@H](CNC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)N1CCOCC1 32901141 VSOUMLGYNSKOCO-RTBURBONSA-N 446.013 2.116 0 40 IEAB C[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](CNC(N)=O)C1)c1ccccc1 32935667 XWNZVNFFWYBSDZ-ROUUACIJSA-N 437.544 2.496 0 40 IEAB COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)NC2=O)cc1 35445290 AORDDMWHUCWVMN-UHFFFAOYSA-N 435.452 2.073 0 40 IEAB Cn1cc2c(C(F)F)cc(=O)n(CCC(=O)Nc3ncn(Cc4ccc(F)cc4)n3)c2n1 36621363 ODRMNRGFZBHIFN-UHFFFAOYSA-N 445.405 2.480 0 40 IEAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)C[C@@H]2SC(=O)N(C)C2=O)CC1 72348265 MOVXSRLDJZCIPE-INIZCTEOSA-N 426.498 2.116 0 40 IEAB O=C1CCCC(=O)N1CCS(=O)(=O)N1CCc2nc(-c3ccccc3F)sc2C1 72392054 BBXHLDQFGLEJPU-UHFFFAOYSA-N 437.518 2.176 0 40 IEAB CN(CCC1CCN(CC(=O)N2CCC3(CC2)OCCO3)CC1)C(=O)OC(C)(C)C 95455729 SUDBQCLVFUAUPU-UHFFFAOYSA-N 425.570 2.321 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccccc3F)C2=O)cc1Cl 101168817 QFXURLKHFUUAAE-SJORKVTESA-N 431.811 2.420 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCc2nc(-c3ccccc3)no2)Oc2ccc(Cl)cc21 219397615 PCTCBDRMWQDGOM-MRXNPFEDSA-N 448.888 2.233 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN1CCC[C@@H](C)C1 222611401 ODUZNMJLTDCFIH-QGZVFWFLSA-N 425.595 2.116 0 40 IEAB O=C(NCc1cccc(CN2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1 224743806 DSVCFOVTDSKOOK-UHFFFAOYSA-N 443.569 2.233 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225223234 HHQBOESVFRXOHG-SFHVURJKSA-N 431.558 2.233 0 40 IEAB COCC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 306129313 IALMERZZOMSVRM-UWJYYQICSA-N 431.562 2.220 0 40 IEAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 408657276 OTHPBRSBVCNFLX-OAHLLOKOSA-N 425.441 2.188 0 40 IEAB C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 509060126 IWGWECXGDOTYKX-HFBAOOFYSA-N 440.313 2.224 0 40 IEAB Cc1cc(O)nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)cc12 1167383868 GDHBGNDZPYLUKJ-GVDBMIGSSA-N 445.541 2.297 0 40 IEAB CCCNC(=O)N1CCN2CC(=O)Nc3cc(-c4cccnc4F)ccc3OC[C@H]2C1 1772594591 NYFVRNQNDAKEOM-MRXNPFEDSA-N 427.480 2.324 0 40 IEAB CN1CCCN(C(=O)[C@@H]2CN(CC3CCOCC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595587 GYDUOZGUVWLMOI-GIWBLDEGSA-N 431.552 2.398 0 40 IEAB Cc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363845 JHXNCLCAXVGJMN-MRXNPFEDSA-N 426.502 2.010 0 40 IEAB COc1ccc(-n2c(SCC(N)=O)nc3nc4c(cc3c2=O)COC(C)(C)C4)cc1 2276120 QKEPLRORCNJEDJ-UHFFFAOYSA-N 426.498 2.218 0 40 IEAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(C)c12 8877517 DSYQHULBTONMTI-FQEVSTJZSA-N 442.468 2.349 0 40 IEAB biogenic CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCc1nc2ccccc2[nH]c1=O 9561771 XSDMESQAPDLIPP-UHFFFAOYSA-N 425.441 2.403 0 40 IEAB COc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)c1 9807312 UWLOSZICKNTZQK-GOSISDBHSA-N 445.541 2.220 0 40 IEAB CCCCNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 9818568 GZKQYRWTZYNHII-JTQLQIEISA-N 444.859 2.485 0 40 IEAB O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)N1CCN(c2nccs2)CC1 10270491 XDVGTUBHKLCYKN-UHFFFAOYSA-N 434.587 2.039 0 40 IEAB COc1ccc(OC)c(CCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 12740353 KHKOFQPOFSJEOZ-UHFFFAOYSA-N 447.557 2.211 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CSC(=S)N3CCCC3)CC2)c1 12859553 FCNQOZHTZXRQSM-UHFFFAOYSA-N 441.644 2.250 0 40 IEAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1 12902398 ILMZMLRGIKEUNC-UHFFFAOYSA-N 449.536 2.459 0 40 IEAB CCOc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2C(C)=O)cc1 13591046 ADEFCNBGNLFWRA-GOBJLOIFSA-N 448.479 2.416 0 40 IEAB Cc1cc(NC(=O)COc2ccc(OC(F)(F)F)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 13731652 AUKRFYGRRFDRFX-GFCCVEGCSA-N 433.408 2.467 0 40 IEAB CN1C(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2C1=O 14019139 KAPAKBVGJSKFOY-ZDUSSCGKSA-N 445.472 2.091 0 40 IEAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cn1 14095454 NMBKFPNFLDQDSH-LJQANCHMSA-N 447.582 2.275 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(-n3cccn3)cc2)cc1 16660926 OZPMZBDCTHOXPN-UHFFFAOYSA-N 442.497 2.243 0 40 IEAB Cc1cccc(NC(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)c1 17135362 RZLUCFJSBLRJDA-UHFFFAOYSA-N 448.508 2.274 0 40 IEAB c1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)nc(N4CCOCC4)nc32)cc1 19144805 ADVVDMPYHYRMJY-UHFFFAOYSA-N 442.527 2.374 0 40 IEAB C[C@@H]1CCc2ccccc2N1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 23053519 XYQGZSDEKAEFCH-QGZVFWFLSA-N 431.533 2.500 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@@H](c3ccc(C)o3)N3CCOCC3)ccc21 24714461 BPQRPQYCXMSVEA-NRFANRHFSA-N 447.557 2.239 0 40 IEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCN(C(=O)N2CCCCC2)CC1 25171575 TVYJWEPKNVDCPT-LJQANCHMSA-N 436.503 2.469 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1C(=O)NC(C)C 26112209 WRWLPQABZZMNIT-UHFFFAOYSA-N 447.557 2.353 0 40 IEAB O=C1COc2cc(S(=O)(=O)NCCc3ccc(F)cc3)c(Br)cc2N1 26747804 RETHIMJHVCYNFQ-UHFFFAOYSA-N 429.267 2.440 0 40 IEAB O=C1c2ccccc2C(=O)N1C[C@@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 35274711 FKZUTWSVQLXKQE-HNNXBMFYSA-N 425.416 2.284 0 40 IEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3cccc(OC)c3)C2)cc1 46644168 JEDYIWDKOMRXRG-QGZVFWFLSA-N 448.541 2.300 0 40 IEAB CS(=O)(=O)N1CCN(CCNC(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 48264886 AHYJNIOYEQFTFJ-UHFFFAOYSA-N 444.582 2.270 0 40 IEAB O=C(Cn1cc(Br)ccc1=O)NC1CCN(C(=O)CCc2ccccc2)CC1 48326340 XNRZCNMKGHIRNW-UHFFFAOYSA-N 446.345 2.351 0 40 IEAB C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)Cn1cc(Br)ccc1=O 58052940 QYANGHDVJTZBTI-KRWDZBQOSA-N 447.377 2.328 0 40 IEAB COC(=O)c1sccc1NC(=O)C[C@@H](CN1CCN(c2ccccc2)CC1)C(=O)O 61721547 QAAVEOOTHHMXEW-HNNXBMFYSA-N 431.514 2.386 0 40 IEAB CC(=O)Cn1c(Br)nc2c1c(=O)n(Cc1cccc3ccccc13)c(=O)n2C 69534038 UAUQESLEWNNIQD-UHFFFAOYSA-N 441.285 2.450 0 40 IEAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)C2(O)CCN(C)CC2)C1 72352316 HWMJBVHPZWJXLA-INIZCTEOSA-N 445.585 2.050 0 40 IEAB CNc1nc(C2CCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)nc2c1CCN(C)C2 72372406 BQIUFLVJBRMHII-UHFFFAOYSA-N 445.589 2.392 0 40 IEAB O=C(CC[C@H]1NC(=O)NC1=O)NC1CCN(CC2(c3ccc(F)cc3)CCCC2)CC1 72393520 UEYCBYAIZAHUHJ-LJQANCHMSA-N 430.524 2.206 0 40 IEAB CCCN(C(=O)COc1cccc(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 89958981 KQENPEWJVZFCSF-UHFFFAOYSA-N 426.448 2.128 0 40 IEAB O=C(C1CC1)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C2CCOCC2)CC4)C1 100233615 NHVFSHUBEGHUAD-MRXNPFEDSA-N 425.533 2.088 0 40 IEAB CCOC(=O)Cc1ccc(NC(=O)C[C@@H](NS(C)(=O)=O)c2ccc(OC)cc2)cc1 225953645 VJOLTHYIPHERPC-LJQANCHMSA-N 434.514 2.420 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1C(=O)N1CCOCC1 408693419 SVIYAWCHPAVICS-QGZVFWFLSA-N 432.542 2.467 0 40 IEAB C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O)N1C(=O)NC2(CCCC2)C1=O 521927651 PXMJSLRGEPTEOK-CZUORRHYSA-N 432.908 2.157 0 40 IEAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCc1nc(-c2ccccc2Cl)no1 604404073 BNBDBKLHOCRMAE-INIZCTEOSA-N 439.859 2.190 0 40 IEAB biogenic CCOc1ccccc1NC(=O)[C@H](c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 8709905 UGAKRVYBSWLNOW-SFHVURJKSA-N 433.468 2.061 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)OC(=O)C2=COCCO2)c1 8719177 KKAVLQOIGXEPDR-GFCCVEGCSA-N 446.909 2.129 0 40 IEAB CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC)c(F)c3)cc2C1 8840368 ILTWZVJYOPZHJF-UHFFFAOYSA-N 428.507 2.343 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2N2CCC[C@H](C(N)=O)C2)cc1 9255073 XHDLVIUVKQLJLT-INIZCTEOSA-N 439.541 2.465 0 40 IEAB COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 9489375 ZTVJPAOCGXXIOA-SFHVURJKSA-N 443.500 2.132 0 40 IEAB COCCCn1c(C(=O)Nc2ccccc2C(N)=O)cc2c(=O)n3cccc(C)c3nc21 9510434 DDRSVOPWKSNHKA-UHFFFAOYSA-N 433.468 2.345 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@@H]4C)C3=O)CC2)c(F)c1 9548975 QTULSXUDJOGWOD-NPMXOYFQSA-N 444.507 2.178 0 40 IEAB Cc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)s1 9766771 OXUNTMPAKJVUGV-UHFFFAOYSA-N 437.543 2.068 0 40 IEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 10022647 RGWWUQCWJBHWPS-HNNXBMFYSA-N 449.504 2.278 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)Nc3cc(C)on3)ccc21 12029129 KCHSYLPBYZBKNE-SFHVURJKSA-N 432.502 2.074 0 40 IEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)C1 12601519 URJIVZLUCXPNHX-QZTJIDSGSA-N 443.573 2.106 0 40 IEAB O=C(c1cnn(-c2ccccc2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 12766090 DZFLKMBCLGZPOU-UHFFFAOYSA-N 432.452 2.297 0 40 IEAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O 12908541 FHMVJSOLTJWDRY-NYHFZMIOSA-N 425.441 2.182 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)Nc1ccc2c(c1)CCC2 13031483 ZEHGEOSPJSRTSX-UHFFFAOYSA-N 435.496 2.399 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(Cn3nc4ccccn4c3=S)CC2)cc1 13073591 CWEGRDGLKKKPJY-UHFFFAOYSA-N 433.559 2.228 0 40 IEAB O=c1c(F)cn([C@H]2CCCO2)c(=O)n1Cc1nnc(-c2ccc(Br)cc2)o1 14180503 OLJAHHHTRKQLPM-CQSZACIVSA-N 437.225 2.319 0 40 IEAB C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 15197380 HJEGVAUMOZLUDJ-OAHLLOKOSA-N 436.555 2.366 0 40 IEAB COc1ccccc1N1CCN(CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)CC1 15375869 WUTIQPIDJGHYKD-IBGZPJMESA-N 445.585 2.478 0 40 IEAB Cc1cccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(CCOc2ccccc2)C3=O)c1 17135484 AKFYRPKJWUHTJM-UHFFFAOYSA-N 443.525 2.149 0 40 IEAB CCOc1ccc(-c2nnc3n(Cc4ccc(F)cc4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 17315037 APNRBDSBDOGUBE-UHFFFAOYSA-N 434.431 2.324 0 40 IEAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccc(C)cc3)[nH]c(=O)c2C1 19520401 VKCLBTDZDMVIOA-IBGZPJMESA-N 444.557 2.154 0 40 IEAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 19694076 XTIDPTFIBZOTAL-IBGZPJMESA-N 436.560 2.110 0 40 IEAB Cc1ccccc1N1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O 21817392 DJRCUVYRSUIIBS-LJQANCHMSA-N 447.944 2.287 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)nc3)CC2)cc1 22994964 KZHOSXWMZHKLMY-UHFFFAOYSA-N 444.557 2.266 0 40 IEAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 24971774 KIZHVYFAFZMXDG-NPMXOYFQSA-N 435.436 2.156 0 40 IEAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCCN4CCOCC4)cc3C[C@H]2C)cc1 25767376 DBKRQIFMKQPJMU-GOSISDBHSA-N 443.569 2.197 0 40 IEAB COc1ccc(-c2noc(CN3CCN(CC(=O)Nc4nc(C)cs4)CC3)n2)cc1 40071628 GVXHSDFVKDXYKB-UHFFFAOYSA-N 428.518 2.266 0 40 IEAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCOCC2)o1 40106686 COVKBBJHTZTBMY-UHFFFAOYSA-N 436.383 2.388 0 40 IEAB CC(C)c1nnc(NC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)s1 44893270 CQXMGIPYAAHBTL-UHFFFAOYSA-N 439.545 2.184 0 40 IEAB CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 58312696 DVQOMGDWANKVCL-HNNXBMFYSA-N 435.571 2.426 0 40 IEAB COc1cc(NC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)cc(OC)c1 72325916 QRIJUFIKPFDRIX-HSZRJFAPSA-N 438.484 2.207 0 40 IEAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(Cc1ccccc1)C[C@H]1CCCO1 84005032 NSUDIIWFRQHYBF-HXUWFJFHSA-N 440.544 2.055 0 40 IEAB O[C@H](CNc1nccnc1NC[C@@H](O)COc1ccc(F)cc1)COc1ccc(F)cc1 95467698 LQILZNIGRVPLOX-QZTJIDSGSA-N 446.454 2.458 0 40 IEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)O)CC1 100772318 OBTZKGKFJMXNSU-NCOADZHNSA-N 441.569 2.438 0 40 IEAB O=c1c(CN2CCOCC2)coc(O)c1CN1CCN(Cc2cccc(Cl)c2)CC1 101410307 UUCCDGYFIWAMMP-UHFFFAOYSA-N 433.936 2.149 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223654561 NSZQOTYMMMEQBK-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)NCCc1nc2c(c(C(F)(F)F)n1)COCC2 225580985 XOZDUIXIPGCRDL-UHFFFAOYSA-N 443.447 2.091 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)NCCSc3nc(C)n[nH]3)CC2)c1 225924431 BMIVZUOBKQZFAV-UHFFFAOYSA-N 437.591 2.039 0 40 IEAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 226649651 UKAHJJSTQRBPJW-XTDOFWJNSA-N 440.235 2.259 0 40 IEAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)c4cccc(S(N)(=O)=O)c4)CC3)n2n1 257276106 NSJZZFQXKFGWDD-WKILWMFISA-N 427.530 2.389 0 40 IEAB COc1ccc([C@@H]2CN(CC(=O)NCCc3nc4ccccc4[nH]3)CCN2C(C)=O)cc1 257284012 PAWXRWGMAGSVLH-QFIPXVFZSA-N 435.528 2.136 0 40 IEAB COc1ccc(N([C@H](C)C(=O)Nc2nnc(SC)s2)S(C)(=O)=O)cc1OC 260811053 MOWLODPQGZUZCC-SECBINFHSA-N 432.549 2.070 0 40 IEAB C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260903475 PAMFBEXFECCRKU-OCCSQVGLSA-N 426.441 2.076 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 409387817 BQAMLCVAIOFUGV-KRWDZBQOSA-N 446.525 2.449 0 40 IEAB CC(=O)N1CC(=O)N2CC[C@@H](CC(=O)NC(C)C)[C@@H](C=CCOc3ccccc3C1)C2 958317792 NUPGKENJHRJJOE-PMACEKPBSA-N 427.545 2.363 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2ccncc2Br)C1 1775973117 HZJQGVKCBFTFGA-CYBMUJFWSA-N 429.274 2.234 0 40 IEAB O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(OS(=O)(=O)c3ccccc3)ccc2c1 3150557 TZHMHRTWRXQDLF-UHFFFAOYSA-N 444.464 2.101 0 40 IEAB CN(C)c1cccc(C(=O)OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 3349627 VGVDIQCIMMFJNB-HXUWFJFHSA-N 430.526 2.125 0 40 IEAB Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCC(C(N)=O)CC1 3428714 WSVXZZMICBJGOW-UHFFFAOYSA-N 425.514 2.441 0 40 IEAB COc1ccccc1N(CC(=O)NC[C@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 8676899 CRMGUFVCLBTVSB-OAHLLOKOSA-N 446.529 2.199 0 40 IEAB O=C(CSc1ccccc1C(=O)N1CCN(C(=O)C2CC2)CC1)NCc1ccco1 8945245 YORKABCFAPPGNL-UHFFFAOYSA-N 427.526 2.383 0 40 IEAB O=C(NCc1cccs1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 9234000 CVVKCZJBHKKLIC-INIZCTEOSA-N 427.526 2.419 0 40 IEAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)nc(O)n(-c2ccc(C(=O)O)cc2)c1=O 9331433 GISWXJGBESOJCZ-LJQANCHMSA-N 448.435 2.067 0 40 IEAB biogenic Cn1c(=O)c2c(ncn2CCCC(=O)Nc2nc(-c3cccs3)cs2)n(C)c1=O 9349333 MMCPVADQUYXBFW-UHFFFAOYSA-N 430.515 2.038 0 40 IEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCCCCN1C(=O)c3ccccc3C1=O)C2=O 9442877 HAZQMALDPONVBS-WNSKOXEYSA-N 441.484 2.107 0 40 IEAB COc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)cc1OC 9827588 UPVUDUKJXBXGKU-UHFFFAOYSA-N 448.545 2.182 0 40 IEAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)c1c[nH]c(C(=O)N2CCCC2)c1 9883050 OQYAMINHCYQWAB-UHFFFAOYSA-N 448.570 2.405 0 40 IEAB O=C1NC(=O)c2cc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ccc21 11123064 PMPOQIXZYSVZIS-UHFFFAOYSA-N 447.900 2.263 0 40 IEAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)Nc1ccc2c(c1)OCCO2 12543612 JCEIWRZXUPOQQT-UHFFFAOYSA-N 435.527 2.368 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 12854831 OGSKEZPQSDDRQU-UHFFFAOYSA-N 443.463 2.163 0 40 IEAB COc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 13138048 LSYBDTJJABULBP-UHFFFAOYSA-N 448.497 2.284 0 40 IEAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H]3CCS(=O)(=O)C3)C1)N2 19127617 CJBZOOYMCMBOMK-ZQDZILKHSA-N 434.484 2.152 0 40 IEAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(C)c3)[nH]c(=O)c2C1 19520406 GJYLWDVDMUKQCQ-LJQANCHMSA-N 444.557 2.154 0 40 IEAB CCn1c(=O)n(CC(=O)N2CCCC[C@H]2C)c2c(C(N)=O)nc(-c3ccc(C)s3)nc21 19524215 KMMUUNOWDGALNN-GFCCVEGCSA-N 442.545 2.150 0 40 IEAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2c(C)noc2C)c(=O)[nH]c1=O 19622978 VEYDSZCALJQPEV-UHFFFAOYSA-N 425.489 2.300 0 40 IEAB CN1C[C@H](c2ccc(CN(C)S(=O)(=O)CCCc3ccccc3)cc2)[C@@H](C(N)=O)C1 19699215 QODATGOTPJYHIW-YADHBBJMSA-N 429.586 2.212 0 40 IEAB CN1CCN(C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)[C@@H](c2ccccc2)C1 19750093 NGTGXBXWLOJTCY-JOCHJYFZSA-N 436.556 2.426 0 40 IEAB Cn1c(CN2CCN(C(=O)C3CCCCC3)CC2)nc2cc(NS(C)(=O)=O)ccc21 20624034 FGHUUPZITNWFIG-UHFFFAOYSA-N 433.578 2.169 0 40 IEAB O=C1C(=O)N(CN2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1CCc1cccs1 22790173 ZELQEJRGFZLYLN-XBXARRHUSA-N 438.553 2.370 0 40 IEAB COC(=O)C1=C(CSc2nnc(-c3ccco3)n2N)N(C)C(=O)N[C@H]1c1ccccc1 23103579 KFJSMXOYJOKMLR-INIZCTEOSA-N 440.485 2.167 0 40 IEAB CS(=O)(=O)Nc1cccc(CNC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)c1 25239584 XKQQSNFODABWGW-UHFFFAOYSA-N 444.557 2.487 0 40 IEAB O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1nnc2ccc(C(F)(F)F)cn12 28719451 RMGATDSMUPAKQV-UHFFFAOYSA-N 431.374 2.441 0 40 IEAB COc1ccccc1C(=O)N1CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 29998343 VJGWDYIFYXKTFK-UHFFFAOYSA-N 437.548 2.043 0 40 IEAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(F)cc3)CN21)NCc1ccc(F)cc1 35442266 SJYHEDIXAGOJHE-BDTNDASRSA-N 442.510 2.092 0 40 IEAB biogenic,in-vitro O=C(c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCC[C@@H](N2CCNC2=O)C1 48324492 RUCVKMUSEJAOAM-GOSISDBHSA-N 446.504 2.256 0 40 IEAB O=C(Cn1cnc(-c2cccs2)cc1=O)NCCn1nc(-c2cccs2)ccc1=O 49028335 LTXRYPCEOVBMAY-UHFFFAOYSA-N 439.522 2.073 0 40 IEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)N1CCCN(Cc3cn4cc(Cl)ccc4n3)CC1)CS2 72292933 YLLGNBZSWWZMGK-DYESRHJHSA-N 447.992 2.476 0 40 IEAB O=C(CN1CC[C@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCCc1cnccn1 72327675 YWSMVZINPOSSFC-JOCHJYFZSA-N 442.903 2.205 0 40 IEAB CCS(=O)(=O)N1CCN(C(=O)c2sc3ccccc3c2[C@H]2CCN(C(C)=O)C2)CC1 72352593 RAPKPLHEYWIABO-INIZCTEOSA-N 449.598 2.345 0 40 IEAB CCOc1nc(N2CCN(CC(=O)N3CCCCCC3)CC2)ncc1Br 79092118 OPWSSHSFWGBWJY-UHFFFAOYSA-N 426.359 2.162 0 40 IEAB CNC(=O)CCCN(C)C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 89386063 JPBCBULYRGUHCZ-UHFFFAOYSA-N 443.875 2.012 0 40 IEAB COc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 89568847 HSJFNMDZGIILOJ-UHFFFAOYSA-N 445.585 2.243 0 40 IEAB CC(C)CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2cn(C)nc2c1=O 90610100 WNBABMDLWRTCOE-UHFFFAOYSA-N 443.529 2.313 0 40 IEAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CCN(S(=O)(=O)Cc1ccc(C)cc1)C2 257310068 UDNSDNJYOCVGNH-SFHVURJKSA-N 443.573 2.051 0 40 IEAB CCN1CCN(C(=O)c2cc(O)nc(O)n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257325962 WVFBYCJXIWDKSH-GOSISDBHSA-N 447.495 2.113 0 40 IEAB CN([C@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccccc1)S(C)(=O)=O 260843417 RNYOYISVIOQCTR-PXNSSMCTSA-N 445.541 2.167 0 40 IEAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1 408650981 COXBEDLKEJJWLY-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB COc1ccc(-c2cc(C(=O)NCCn3cccc3)nn2[C@H]2CCS(=O)(=O)C2)cc1 524733356 KLRHMTNWNGEZDY-KRWDZBQOSA-N 428.514 2.150 0 40 IEAB CN1CCN(c2ccc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)c(C(=O)O)c2)CC1 548532484 XUAAUEPYCKFVTM-UHFFFAOYSA-N 441.513 2.123 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4cc5c(nn4)CCC5)CC3)n[nH]2)c1 575621180 VSQTYHLIXCEUTJ-UHFFFAOYSA-N 434.500 2.335 0 40 IEAB O=C(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccc(Cn2ccnc2)cc1 585147648 MPIJSMRRVRQOAO-UHFFFAOYSA-N 437.525 2.395 0 40 IEAB CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CCN2C12CCOCC2 1772595187 AVQLUOLFAGMESZ-MRXNPFEDSA-N 442.438 2.472 0 40 IEAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@@H](COc2ncc(Br)cn2)C1 1775969852 OQWJFIUTAMCJME-CYBMUJFWSA-N 447.289 2.465 0 40 IEAB COc1nccnc1N(C)CC1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 1775978136 NIECHAFVWGVAHW-UHFFFAOYSA-N 431.504 2.362 0 40 IEAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)Cc5cccc(C)c5)C[C@H]4C3)ncnc21 1888930626 OOMMBWISMXLXPJ-QZTJIDSGSA-N 426.546 2.053 0 40 IEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@H](O)COc1cccc2ccccc12 662936 IXAYPURIUXYQRK-KRWDZBQOSA-N 449.511 2.007 0 40 IEAB COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 1363772 ZZJLCEDFRYLSKC-INIZCTEOSA-N 432.498 2.141 0 40 IEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)n1 6156082 SKPKBMGEDUGATK-SFHVURJKSA-N 426.454 2.364 0 40 IEAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2c1c(=O)n(C)c(=O)n2C 6198424 SHRMYUVFAXHZHG-UHFFFAOYSA-N 441.435 2.203 0 40 IEAB CN(C)CCNC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CN(C)Cc2ccccc2)on1 8623781 LJAZIMMVDGXXPD-SFTDATJTSA-N 427.593 2.143 0 40 IEAB biogenic,in-vitro CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 8880110 UHILHRDRGJHPDJ-KPZWWZAWSA-N 447.438 2.389 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NC2CCCCCC2)c1 9807320 XELTYGFEKCKSRB-LJQANCHMSA-N 435.590 2.412 0 40 IEAB CCC(CC)C(=O)N1CCN(C(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 11666156 RKNXTCUPBSOJKV-UHFFFAOYSA-N 435.528 2.396 0 40 IEAB CN(C)C(=O)[C@H]1CN(CCOc2ccc(F)cc2)C[C@@]12CCc1ccccc1C(=O)N2 12125757 HYJLFDDPGDJJPC-QPPBQGQZSA-N 425.504 2.340 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@H](C)n4ncc5ccccc5c4=O)C3)cc2n1 12134463 OUNKILZNRRARJL-RDJZCZTQSA-N 432.484 2.420 0 40 IEAB C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccc2c(c1)OCO2 12425213 OUBXGAXPRLSTQY-KPZWWZAWSA-N 428.466 2.466 0 40 IEAB Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc21 12514872 PYGVGCGXAALDMN-UHFFFAOYSA-N 441.509 2.096 0 40 IEAB O=C([C@H](c1ccccc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)N1CCCC1 12934560 HCJRKCYJIZILTR-PKTZIBPZSA-N 435.524 2.334 0 40 IEAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)Nc1ccc2c(c1)OC(F)(F)O2 13149186 BJPKKASNLGONBC-UHFFFAOYSA-N 443.362 2.460 0 40 IEAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 14166493 JZXVJOTURRRBJS-UHFFFAOYSA-N 448.504 2.272 0 40 IEAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(S(C)(=O)=O)cc1 14184803 NTBQUDDEBJRJGB-HOCLYGCPSA-N 444.509 2.092 0 40 IEAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cc3ccccc3c(=O)[nH]2)n1 14234555 UYUHPGFZYGJNCM-UHFFFAOYSA-N 434.408 2.458 0 40 IEAB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccccc2I)n1 17096754 BBAYOTCAPDJBSZ-UHFFFAOYSA-N 430.275 2.061 0 40 IEAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 18092088 BKPRULBFERBRMN-UHFFFAOYSA-N 429.498 2.087 0 40 IEAB Cc1cccc(CC(=O)N2CCC(c3cc(C(=O)N4CCC[C@H](C(N)=O)C4)on3)CC2)c1 19234641 WFWTWKZELFZKEM-IBGZPJMESA-N 438.528 2.269 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)CN3CCOCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19757954 KGUHCYZEDSWKEX-INIZCTEOSA-N 443.935 2.339 0 40 IEAB O=C(C1CC1)N1CCN(CN2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)CC1 23820274 AQJBIYQFCBDPIF-UHFFFAOYSA-N 446.551 2.274 0 40 IEAB O=C(CCn1nnc2ccccc2c1=O)NCCNc1ncc(C(F)(F)F)cc1Cl 25339436 YWGSNXRZOHXMPU-UHFFFAOYSA-N 440.813 2.477 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 32248671 IIBCOFOPWZBGKS-ZJSXRUAMSA-N 434.540 2.232 0 40 IEAB COC(=O)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 32900473 VPLHECSMMCBRJE-GOSISDBHSA-N 432.498 2.298 0 40 IEAB O=C(CCNC(=O)[C@H]1CS[C@H]2c3ccccc3C(=O)N12)Nc1ccc2c(c1)OCCO2 36569302 FDCKTKXILIEYON-ZHRRBRCNSA-N 439.493 2.173 0 40 IEAB Cc1nc(CN2CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)CC2)cs1 48262193 UEVWHURVVSACSN-UHFFFAOYSA-N 438.575 2.095 0 40 IEAB O=C(O)c1cnc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1N1CCCC1 49469137 RJJNXOBJZZJBCT-UHFFFAOYSA-N 430.530 2.345 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccc(-n3cncn3)nc2)c1 65552609 UEBFOJDPUDKCMJ-UHFFFAOYSA-N 448.508 2.417 0 40 IEAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cccc(COC[C@@H]3CCCCO3)c2)C1 69458940 MNYFVUWTSJZDLJ-OALUTQOASA-N 425.551 2.318 0 40 IEAB O=C(N1CCOCC1)[C@]12CCCN(Cc3cccs3)C[C@H]1CN(c1ncccn1)C2 96056162 ASNOXVWBOYHBMQ-AVRDEDQJSA-N 427.574 2.116 0 40 IEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 100099720 YXSUIYRYHPOHSZ-KDURUIRLSA-N 445.541 2.141 0 40 IEAB Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)c1 113934382 OHBRNMINXMSGOR-UHFFFAOYSA-N 445.541 2.181 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222600250 GTLDDQAIASDARX-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222912688 JZINGCUZBXDVJI-LJQANCHMSA-N 445.585 2.293 0 40 IEAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c32)cc1 223053575 SJLQWVWHOZQIBB-CJNGLKHVSA-N 425.489 2.469 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1cc(C)cc(C)c1)c1ccc2c(c1)OCO2 224081630 HBAGUPZWNUUZHF-UHFFFAOYSA-N 434.514 2.383 0 40 IEAB Cc1cn([C@H]2CCN(C(=O)CCCc3cn(C)c4ccccc34)C[C@]2(C)O)c(O)nc1=O 257242909 IERLBQICXBEBIF-RDPSFJRHSA-N 438.528 2.296 0 40 IEAB O=C(NS(=O)(=O)c1ccccc1Br)c1ccc(CN2CCOCC2)cc1 257262712 LMNHZSUJJYUJIS-UHFFFAOYSA-N 439.331 2.400 0 40 IEAB Cc1nonc1CNC(=O)C[C@@H]1CCCN(C(=O)c2ccnc(N3CCCCC3)c2)C1 257279630 OHMCPUWZDLZPRD-KRWDZBQOSA-N 426.521 2.322 0 40 IEAB CNc1nc([C@H]2CCN(S(=O)(=O)c3cc(C)ccc3OC)C2)nc2c1CN(C)CC2 257310194 UEBZIFJLUXDRBR-HNNXBMFYSA-N 431.562 2.001 0 40 IEAB Cc1ncc(C(=O)N2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)n1 257333999 YEBMYHSSOCATPG-QGZVFWFLSA-N 432.550 2.061 0 40 IEAB COCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1C 408625207 RKUQAIUSZHKVSR-UHFFFAOYSA-N 445.585 2.499 0 40 IEAB Cc1nnc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)s1 408684712 KJDQCPUQPPFFBE-UHFFFAOYSA-N 434.474 2.312 0 40 IEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 409099817 UHYJWGKOYIREJQ-OPYOOOJUSA-N 429.834 2.410 0 40 IEAB Cn1ccnc1[C@@]1(CNC(=O)c2cc3sc4ccccc4c3s2)NC(=O)NC1=O 1616034971 IMMHQRWSCFBAEF-LJQANCHMSA-N 425.495 2.314 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN2CC(=O)Nc3cc(C(C)C)ccc3OC[C@@H]2C1 1772594629 RHOZCZCAZNAFNN-KRWDZBQOSA-N 448.545 2.121 0 40 IEAB Nc1cc(=O)[nH]c(SCC(=O)Nc2ncc(Br)cc2Br)n1 1002600 KQFXUDACTSLTNF-UHFFFAOYSA-N 435.101 2.003 0 40 IEAB COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1OC 2890864 WXBAVLIJYJBIAH-UHFFFAOYSA-N 430.885 2.134 0 40 IEAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3sccc3C(N)=O)nnc12 3375383 SXHBQQVZDWFDPV-UHFFFAOYSA-N 442.526 2.345 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(C(=O)O)cc1 8718249 GCCISGKYBFVSHL-MRXNPFEDSA-N 440.518 2.240 0 40 IEAB C[C@H]1C(=O)C[C@@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@@H]12 8764737 OACAZKAYRUIRND-SSFGSKGPSA-N 425.466 2.175 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCCOc2ccccc2)c1 9031542 KDYAWLJYGCMHIO-SFHVURJKSA-N 434.514 2.052 0 40 IEAB Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1Sc1c(NC2CC2)c2ccccc2[nH]c1=O 9366331 ICGDVAHAKFMFGD-LBPRGKRZSA-N 445.570 2.359 0 40 IEAB CCN(c1ccc(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1)S(C)(=O)=O 9494663 JBWGMIJDWKGDOC-JOCHJYFZSA-N 441.509 2.049 0 40 IEAB COc1ccc(Cl)cc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1 9570211 SWLNLRFWBZJDKL-UHFFFAOYSA-N 437.949 2.230 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2cccs2)CC3)cc1 9708483 KHNYDJPBZUSWNC-UHFFFAOYSA-N 442.584 2.258 0 40 IEAB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 10708760 YACHUBCMRZUARF-UHFFFAOYSA-N 439.559 2.397 0 40 IEAB COCCNC(=O)NC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 11478715 IIVNLFBKDSSAHL-UHFFFAOYSA-N 434.449 2.164 0 40 IEAB C[C@H](C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1)n1nnc2ccccc21 12085502 FHYOSYKZIZRRKH-VOIUYBSRSA-N 446.511 2.326 0 40 IEAB COc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)c1 12323534 GCSPNDPINPVZMD-SFHVURJKSA-N 445.479 2.406 0 40 IEAB COC(=O)c1ccc([C@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 12660952 CZCYWGTVNNUEQB-QPXQOZNCSA-N 434.485 2.416 0 40 IEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2)n1 13250530 RQRFFPJXFOYGDK-SJORKVTESA-N 430.486 2.500 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Oc2ccc(Cl)cc2)c(=O)[nH]c1=O 14624749 YXQMPYFBZIWDHP-ZDUSSCGKSA-N 438.912 2.019 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)cc1 15824885 NHDVFSKVIKXISF-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB Cc1cc(C)c(NC(=O)C[S@](=O)CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c(C)c1 15935816 KYFGNPKDVCJFPU-HKBQPEDESA-N 440.529 2.222 0 40 IEAB COc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1S(=O)(=O)N1CCCCC1 16154216 WGEFIRABPPAMFI-UHFFFAOYSA-N 429.520 2.275 0 40 IEAB COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CCOC4)nc(O)c3C2)cc1 19555517 MXFAMQBQRSOSMT-DYESRHJHSA-N 438.528 2.449 0 40 IEAB Cn1cc(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)ccc1=O 19703784 KRRXPUIDEPQASU-UHFFFAOYSA-N 434.418 2.105 0 40 IEAB CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2c(c1)OCCO2 20609180 PFSOVYWTHGNVBS-SFHVURJKSA-N 430.482 2.392 0 40 IEAB biogenic,in-vitro CC(=O)N1C[C@@H](C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)Oc2ccccc21 22286974 FIYRCYFBMAUWTO-UNMCSNQZSA-N 427.476 2.129 0 40 IEAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N1CCSc3ccccc31)C2=O 23674591 LQJKBFSRSMGXNU-UHFFFAOYSA-N 431.514 2.169 0 40 IEAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)cc2C1=O 23846274 QMMCQXJEUJLWCU-UHFFFAOYSA-N 435.436 2.225 0 40 IEAB O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccc(Br)cc1F 24986570 YNLPLBBDXDKHIJ-MRXNPFEDSA-N 428.302 2.240 0 40 IEAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCCCC(=O)N1CCOCC1 25389087 UZTMDZPNLUVLOA-QGZVFWFLSA-N 442.965 2.374 0 40 IEAB CCOc1ccc(N2C(=O)CN(CCc3ccc(F)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773787 LOHFDPPIQFBSOH-LEWJYISDSA-N 432.517 2.281 0 40 IEAB COc1ccccc1CN(C)CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 32753378 MTNRDSDZZWMNPT-UHFFFAOYSA-N 434.562 2.082 0 40 IEAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 34872571 GFHDMMJRMWICJU-JOCHJYFZSA-N 427.570 2.311 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(SCC(=O)NCCC3=CCCCC3)nc2)CC1 35300918 LAKYZYVELKMSFK-UHFFFAOYSA-N 438.619 2.117 0 40 IEAB CCOC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 36666248 LULRKCSUIUIZHQ-IBGZPJMESA-N 443.475 2.097 0 40 IEAB Cc1cccc(N2CCN(C(=O)c3snc4c(=O)n(CC(C)C)c(=O)[nH]c34)CC2)c1C 49409882 AJHXAGFJYIVGMZ-UHFFFAOYSA-N 441.557 2.382 0 40 IEAB CCC[C@@H](c1nnnn1CCOC)N(CCCO)Cc1cc2ccc(C)cc2[nH]c1=O 57647192 JAJCZKVGILIGMS-FQEVSTJZSA-N 428.537 2.195 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 69529806 LHZQMROYCKNSQX-UHFFFAOYSA-N 429.502 2.090 0 40 IEAB O=S(=O)(Nc1cc(N2CCCS2(=O)=O)ccc1O)c1cccc(Br)c1 72307278 JPGJITCBQQHHGQ-UHFFFAOYSA-N 447.332 2.495 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H](O)c3ccc(Cl)c(F)c3)C2=O)cc1 89629930 XGZXAKIGHKPRHK-UTKZUKDTSA-N 433.867 2.404 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCCc1ccccc1 222619313 UKUSGZFVWHTBPX-UHFFFAOYSA-N 432.542 2.008 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NC(C(C)C)C(C)C 223927080 UQLMKNQQNCIMEC-UHFFFAOYSA-N 426.579 2.446 0 40 IEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccc(OC)cc1 225157528 IQRZKLFSSJAYNH-HXUWFJFHSA-N 436.530 2.444 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)NCCn1nc(-c2cnccn2)cc1C1CC1 238881169 PHELCEBSNLSKBU-UHFFFAOYSA-N 425.514 2.198 0 40 IEAB CCN1CCN(C(=O)C2=NNC(=O)CC2)[C@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 257233419 GPEPLTQPJNVDCQ-JOCHJYFZSA-N 448.523 2.230 0 40 IEAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCN(C(=O)c5ccnn5C)C4)nc32)cc1 257343101 ZRMQGWHVKFCDAK-QGZVFWFLSA-N 446.511 2.246 0 40 IEAB COc1ccc(C(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc1OC 585148484 JGSGMNOXIUHWRM-UHFFFAOYSA-N 429.395 2.135 0 40 IEAB C[C@@H]1CC[C@](C)(CNC(=O)Cc2cnc(O)nc2O)C[C@H](c2ccccc2)[C@@H](O)[C@@H](O)C1 643587475 FOERIOBEEBPLNW-GDXFHMAXSA-N 443.544 2.269 0 40 IEAB CO[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)CC1)c1ccc(F)cc1 1517799299 NJVRLVMNAJJTNQ-LJQANCHMSA-N 431.512 2.250 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)cc1 2633703 GHZKOISKEQABMW-UHFFFAOYSA-N 431.297 2.157 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)cc1 3273366 NIOSEXBECUPUJF-UHFFFAOYSA-N 425.466 2.166 0 40 IEAB Cc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)C(=O)[C@@]1(C)CC(=O)N=C2C=CC=CN21 4388613 CWJPKDMBHZFZRP-MHECFPHRSA-N 436.512 2.096 0 40 IEAB O=C(NCc1ccccc1F)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 8601496 DSRGKXUIQCDLDX-MRXNPFEDSA-N 436.486 2.428 0 40 IEAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NCc1ccccc1 8992105 ASTSHOJDQWRIKP-KRWDZBQOSA-N 449.960 2.173 0 40 IEAB CN(C)CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl 9157982 NNWAQXRTOFRSEB-UHFFFAOYSA-N 439.347 2.152 0 40 IEAB CCc1nc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9466436 IEWFSSNDARVMLE-UHFFFAOYSA-N 430.505 2.271 0 40 IEAB CCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 9646991 LKEPONBPGAVIDV-HNNXBMFYSA-N 433.530 2.083 0 40 IEAB CC(=O)Nc1nonc1-c1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1 9878572 FZDCWRQUVIRTPX-UHFFFAOYSA-N 442.486 2.463 0 40 IEAB CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C 10047699 AOQNCFHJAISHNK-KQPPXVQYSA-N 436.516 2.404 0 40 IEAB COC(=O)c1ccc(N[C@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 10152147 JMWXQJAWPLHWCL-INIZCTEOSA-N 439.449 2.203 0 40 IEAB Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1F 10206253 IVFRFAKKRLMIPA-UHFFFAOYSA-N 427.523 2.216 0 40 IEAB C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 10344892 CPYIHLPJYUQXKV-FZMZJTMJSA-N 444.579 2.415 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1nnc(-c2ccccc2)o1 11398982 AVIKYSIAGFSREJ-UHFFFAOYSA-N 443.481 2.423 0 40 IEAB Cc1ccc(NC(=O)c2cnc(SCC(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1C 12236987 WJIDFEFYOGJOKU-INIZCTEOSA-N 430.530 2.037 0 40 IEAB CSc1nc2ccc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)cc2s1 12549822 DHHNXXSWOYXSGX-NSHDSACASA-N 438.556 2.122 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3cccc(F)c3)CC2)cc1 12813502 WHPQWGINSRGDSA-UHFFFAOYSA-N 433.505 2.296 0 40 IEAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSCC(=O)Nc1cc(C)on1 13005560 JZRZHOXKZDJXOB-UHFFFAOYSA-N 426.445 2.420 0 40 IEAB COc1ccc(CNC(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)cc1OC 13097910 KAHHIHYYNRPTRR-MRXNPFEDSA-N 449.891 2.316 0 40 IEAB CSc1nc2n(n1)[C@H](c1c[nH]c3ccccc13)CC(=C1C(=O)N(C)C(=O)N(C)C1=O)N2 13591290 ISBRGRUMOWRQQH-AWEZNQCLSA-N 437.485 2.191 0 40 IEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cnc2n(c1=O)CCS2 15512806 XYWQHAJIORYDGC-UHFFFAOYSA-N 446.529 2.235 0 40 IEAB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(OC)c5)CC4)ncnc32)cc1 15884040 PWZPIBKBONQZKK-UHFFFAOYSA-N 445.483 2.190 0 40 IEAB COc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCOCC3)CC2=O)cc1 15922058 SSGKHNIQYDREAJ-QGZVFWFLSA-N 434.496 2.424 0 40 IEAB CCn1ncc(S(=O)(=O)N2CCN(Cc3ccccc3Br)CC2)c1C 17095334 MIDZNARLPVLIJH-UHFFFAOYSA-N 427.368 2.480 0 40 IEAB CN(C(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1)[C@@H]1CCS(=O)(=O)C1 18028061 PQORYJRIAPACBI-MRXNPFEDSA-N 428.466 2.297 0 40 IEAB CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 19572479 MIVGALWOKYZOBV-QFIPXVFZSA-N 433.549 2.394 0 40 IEAB CCc1nc(-c2cncnc2[C@@H]2CN(CC(=O)N3CCCc4ccccc43)CCO2)no1 19693694 RYVSHZWTKCPMRZ-IBGZPJMESA-N 434.500 2.442 0 40 IEAB CCOc1ccc(-n2ccn(CC(=O)Nc3cc(OC)ccc3OC)c(=O)c2=O)cc1 22724727 SZDPQFKILQZDOB-UHFFFAOYSA-N 425.441 2.054 0 40 IEAB Cc1ccc2nc(-c3ccccc3)c(CN3CCN(CC(=O)N4CCOCC4)CC3)n2c1 22924359 SFCYPRNVFBVIJG-UHFFFAOYSA-N 433.556 2.286 0 40 IEAB COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 28493951 POWXFRUVRGHOFQ-MRXNPFEDSA-N 435.521 2.101 0 40 IEAB CC(C)CCN(CC(=O)NC1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 29464714 ZQGHLEMKFHWKPZ-UHFFFAOYSA-N 441.576 2.469 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 33582391 FFMQQYGXFIRNGV-LQZHIYRYSA-N 434.539 2.315 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)NCc1ccccc1 34894804 STLFJTVEKQELHW-UHFFFAOYSA-N 427.570 2.188 0 40 IEAB COc1ccc(CC(=O)Nc2ccc(-n3nnc(C(=O)N4CCCC4)n3)cc2)cc1OC 71001671 LZQXNLRSLOZWPA-UHFFFAOYSA-N 436.472 2.097 0 40 IEAB Cc1nc(C)n(C[C@@H](C)C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)n1 72337206 WAIGXUSQCMIFPW-OAHLLOKOSA-N 441.580 2.181 0 40 IEAB COc1cc(OC)cc(C(=O)NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)c1 95476126 YJAGDRIALMKVFC-UHFFFAOYSA-N 427.457 2.169 0 40 IEAB Cc1cccc(C)c1-n1nnnc1C1(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CCCCC1 101400943 KONMQGRNBLAWEG-AIYYMTJKSA-N 449.511 2.305 0 40 IEAB CCOc1ccccc1CNc1ncc2c(=O)n(-c3ccc4c(c3)OCO4)c(=O)[nH]c2n1 102911700 FXSRWQGJIFHTCD-UHFFFAOYSA-N 433.424 2.209 0 40 IEAB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 104667849 IWNDPIZGSQAVPY-ORIJERBGSA-N 427.457 2.012 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1 223099231 PJNMBDPRIOXBTP-UHFFFAOYSA-N 433.530 2.340 0 40 IEAB CC(C)CSc1nnc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)s1 223702884 VETRBVWABQONGO-ZDUSSCGKSA-N 428.561 2.452 0 40 IEAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225387794 AXKJGEZEQHJZMN-HNNXBMFYSA-N 437.949 2.269 0 40 IEAB Cc1nc(O)nc(O)c1CC(=O)N1CCN(C)C(=O)[C@@H]1Cc1cccc(-c2ccccc2)c1 257329070 XIGLWOWKIICANX-NRFANRHFSA-N 446.507 2.318 0 40 IEAB COc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 260826415 ABBUFNJFTINEGG-HUUCEWRRSA-N 434.514 2.498 0 40 IEAB COC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 408625970 XPTCIVBFBBGZBE-SFHVURJKSA-N 434.558 2.388 0 40 IEAB COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 2631513 LUXASBNHNAQRQV-UHFFFAOYSA-N 430.526 2.386 0 40 IEAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 3209187 SXAQKSDSBUJNON-ONNFQVAWSA-N 432.498 2.377 0 40 IEAB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F 3522178 ZYVDXNSLQQCELO-JTQLQIEISA-N 444.412 2.128 0 40 IEAB CC(C)(C)OC(=O)NCC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O 4906432 JRGDONGZLILPHS-LJQANCHMSA-N 427.501 2.303 0 40 IEAB COc1ccc(Cc2nnc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)o2)cc1 9498791 BSAVUMNPHAVQQB-UHFFFAOYSA-N 445.501 2.047 0 40 IEAB CCc1nnc(NC(=O)CSc2nc(=O)n(CCN(CC)CC)c3c2CCC3)s1 9745597 YAMMNMXJFNMCBJ-UHFFFAOYSA-N 436.607 2.219 0 40 IEAB COc1ccc(-c2nnc3n(CCCc4ccccc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10969731 XIYSSKDYDPDCDE-UHFFFAOYSA-N 444.495 2.390 0 40 IEAB COc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1OC 12371343 DMYOOPSREMVGOU-UBPTVHNVSA-N 433.464 2.135 0 40 IEAB COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1S(=O)(=O)Nc1ccc(C)cc1 12604555 OXOUNUIKZFPYBS-UHFFFAOYSA-N 431.514 2.142 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)c1ccccc1OC 12857901 MUBIWMPDXURQEW-OAHLLOKOSA-N 434.514 2.216 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)Cn2cnc3ccccc3c2=O)cc1OCC 13006382 CILSPCJRKCNKFQ-UHFFFAOYSA-N 438.484 2.291 0 40 IEAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)c2cccc(F)c2)CC1 13084841 IYGHCYANSQUURT-NRFANRHFSA-N 429.467 2.433 0 40 IEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 13165146 WSDOQEQLWWJXGM-FQEVSTJZSA-N 445.516 2.422 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nnc(-c4cc(C)nn4C)o3)C2)cc1 13615083 PXIQSFYLRRLLHH-OAHLLOKOSA-N 444.517 2.126 0 40 IEAB Cc1cc(C)nc(SCCn2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 17749709 XEDPWNDGGILUIS-BETUJISGSA-N 443.577 2.105 0 40 IEAB O=C(COC(=O)CCc1nc(-c2ccccc2)no1)NCC(=O)Nc1ccc(F)c(F)c1 19353897 LVEFCLLSVFCUKO-UHFFFAOYSA-N 444.394 2.246 0 40 IEAB CC(C)c1cc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)on1 19452997 ILTXPFRMIZXUMU-IBGZPJMESA-N 437.500 2.432 0 40 IEAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCN(C(=O)CN3CCCCC3)C2)n1 19694787 UAKDCXURKVPGJS-IBGZPJMESA-N 436.560 2.110 0 40 IEAB Cn1nc(C(=O)N2CCC([C@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)ccc1=O 19695841 MRFZHIFCLZAYNQ-HXUWFJFHSA-N 438.503 2.377 0 40 IEAB CCOc1ccccc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O 19913210 ZOPICVDNFHKMKZ-UHFFFAOYSA-N 431.558 2.196 0 40 IEAB C[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22331476 MEQIVPPCGPXWIM-ZDUSSCGKSA-N 444.962 2.387 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c1 24576618 RSYXELUFTYZJPH-CYBMUJFWSA-N 429.458 2.065 0 40 IEAB CC[C@@H](CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)N1CCCC1 24800282 HJEQMKZMTWFXRD-AWEZNQCLSA-N 444.395 2.494 0 40 IEAB Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 32803090 CDODAXOFPTUXLX-GOSISDBHSA-N 444.557 2.334 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(CN3CCCC3)cc2)Oc2ccccc21 38831801 IGUMONDJLSPXNH-OAQYLSRUSA-N 429.542 2.126 0 40 IEAB O=C(CN1CCN(c2ccccc2)CC1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 57378479 WMTYUDLGJGROBX-QFIPXVFZSA-N 427.570 2.025 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3nccc4ccccc34)CC2)o1 58009392 MKFGXHOWYRJBIO-UHFFFAOYSA-N 443.481 2.151 0 40 IEAB O=C(NC1CCN(c2ncccn2)CC1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 58138863 URXBZYXVTYUOIQ-UHFFFAOYSA-N 438.513 2.071 0 40 IEAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1ccccc1N1CCC(O)CC1 58146620 JKQFMUFWMNSEQM-UHFFFAOYSA-N 444.557 2.162 0 40 IEAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@@H](c2ccccc2)O1 58413291 XTUCALHAKBTFKZ-UWJYYQICSA-N 430.526 2.310 0 40 IEAB COc1cccc(C2=NC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)NC2=O)c1 64965733 SCHGFJXIDUCPCH-UHFFFAOYSA-N 433.917 2.449 0 40 IEAB Cc1n[nH]cc1C(=O)N1CCC(c2nc(N3CCC[C@@H](C)C3)ncc2S(C)(=O)=O)CC1 72335942 KEKRANOJGMOZQD-CQSZACIVSA-N 446.577 2.168 0 40 IEAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)NC2CCN(C(=O)C3CC3)CC2)Oc2ccccc21 72339138 DHNJZHYMIYWKGL-PAVKVFCFSA-N 437.540 2.459 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)n2)cc1OC 72405788 USWDBAFEFVLAJK-SBUREZEXSA-N 427.501 2.081 0 40 IEAB COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 95477767 BWSAHWCPQLNWHO-SFTDATJTSA-N 426.469 2.294 0 40 IEAB COCCn1cnc2ccc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc2c1=O 96114458 LSOYPQNNCCTVHM-UHFFFAOYSA-N 435.436 2.475 0 40 IEAB biogenic CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]32)cc1 101166221 QYEGCUUQMCNPED-PMACEKPBSA-N 437.456 2.416 0 40 IEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 102384886 IOMLNTLCXGTEDU-KDURUIRLSA-N 445.541 2.141 0 40 IEAB C[C@H](C(=O)NCCSC1CCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224059298 FADSZEMDNTUMKK-CQSZACIVSA-N 428.576 2.404 0 40 IEAB Cc1nc2cc([C@H]3CCCN3C(=O)C(C)(C)C)nn2c(O)c1CCC(=O)N1CCOCC1 257237750 HHZIZNVQOHMCFC-GOSISDBHSA-N 443.548 2.244 0 40 IEAB CN(c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1)S(C)(=O)=O 408623727 YTMLHIJUXYPAQJ-QGZVFWFLSA-N 431.514 2.244 0 40 IEAB COCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1OC 408637051 WRYOPYKQFMMQBW-UHFFFAOYSA-N 426.922 2.302 0 40 IEAB Cc1ccc2nc(CS(=O)(=O)[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)cc(=O)n2c1 502602840 WOEBDADBWVVMLX-HZPDHXFCSA-N 425.510 2.284 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)N[C@@H](C)Cc2ccccc2Br)CC1 536084524 UCYBDVRUEXQLFQ-ZDUSSCGKSA-N 432.384 2.493 0 40 IEAB NS(=O)(=O)C[C@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 558055478 WNCYCSZGKKNOQZ-AWEZNQCLSA-N 445.379 2.024 0 40 IEAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 2037883878 ADWYQIICRIJFDK-FQEVSTJZSA-N 448.449 2.335 0 40 IEAB Cc1c(CC(=O)NCC(=O)NCC(=O)O)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 2112587 SILHGXVNZDDHMM-UHFFFAOYSA-N 442.468 2.313 0 40 IEAB biogenic CC(C)Cn1c(N)c(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(=O)n(C)c1=O 2633609 BEDHEJOFCPLCJR-UHFFFAOYSA-N 428.272 2.132 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 3215995 SAWZMQGXPKFEDH-UHFFFAOYSA-N 434.514 2.148 0 40 IEAB COc1ccc(C(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 3228815 SUMFXIVIURHDCG-NYYWCZLTSA-N 445.493 2.155 0 40 IEAB CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3sccc3C(N)=O)cc2C1=O 3503728 PGIWQXWVXUFGHN-UHFFFAOYSA-N 443.481 2.285 0 40 IEAB CC(=O)c1ccc(OCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 8986972 SUTUFGXTDPBNRQ-UHFFFAOYSA-N 436.461 2.067 0 40 IEAB CC(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c(F)c1 9635173 JXMQNMYAYWSTPX-JOCHJYFZSA-N 441.415 2.205 0 40 IEAB CCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 9714417 MDRIAVGUJJGLHG-UHFFFAOYSA-N 430.940 2.047 0 40 IEAB CCCc1nc(SCC(=O)Nc2cc(C)cc(C)c2)c2c(=O)n(C)c(=O)n(C)c2n1 11758082 DDNOYTFKZDGBPG-UHFFFAOYSA-N 427.530 2.327 0 40 IEAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@H]2CCCN(c3cc(C)nc(N)n3)C2)on1 12184485 OXPJPMSMERSAOG-KRWDZBQOSA-N 449.563 2.256 0 40 IEAB Cc1cc(=O)n2c3c(cc(S(=O)(=O)N4CCO[C@H](COc5ccccc5)C4)cc13)CC2 12444909 KCROZXUYSWSCHB-IBGZPJMESA-N 440.521 2.335 0 40 IEAB O=C(CSc1nc2ccccc2n1CC(=O)N1CCOCC1)NCc1cccs1 13082927 RBUJNFVUFSOBFL-UHFFFAOYSA-N 430.555 2.365 0 40 IEAB CCCCCc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)[nH]c1=O 17250000 ZCWPVYQMEIXSKN-CABCVRRESA-N 444.557 2.108 0 40 IEAB biogenic COc1ccc([C@@H]2CN(S(C)(=O)=O)[C@H]3CCN(C(=O)c4ccncc4C)C[C@H]32)cc1 19239440 RIJXDKDFUGAKLA-ACRUOGEOSA-N 429.542 2.288 0 40 IEAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2cc(=O)n(C)c(=O)[nH]2)n1 19525569 VIHRGUOPAMAGOZ-GOSISDBHSA-N 434.500 2.246 0 40 IEAB COc1cc2cc(N)c(C3CCN(C(=O)CCN4CCN(C)CC4)CC3)nc2cc1OC 19590009 GRMJCNPEBIFTTA-UHFFFAOYSA-N 441.576 2.178 0 40 IEAB CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)[C@@H](C)CN4CCOCC4)CC3)nc21 19739485 LELGFZWMCJTZGK-KRWDZBQOSA-N 443.592 2.149 0 40 IEAB Cc1ccc(OCC(=O)NCCNC(=O)c2nc(-c3ccc4c(c3)OCO4)no2)c(C)c1 21452380 AHLNZIAQEDCOSN-UHFFFAOYSA-N 438.440 2.007 0 40 IEAB Cn1cc(/C=C/C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)c(=O)n(C)c1=O 22831583 ABCMRKZGDJEAJW-BUHFOSPRSA-N 445.475 2.104 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCc3ccco3)CC2)cc1C 23080668 NHMATGWBGYOJTE-UHFFFAOYSA-N 434.514 2.157 0 40 IEAB COC(=O)Cc1csc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2C)n1 24715999 SFKYAOHWHWWFIC-UHFFFAOYSA-N 433.515 2.394 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cnc4c(c3)c(C)nn4C)C2)cc1 25515039 MHMTXTWIIDLLJH-HNNXBMFYSA-N 443.529 2.325 0 40 IEAB Cc1cc2nn(CC(=O)NCc3ccc4c(c3)OCO4)c(=O)n2c(Nc2ccccc2C)n1 49410637 GPYLKFCAQUCFTK-UHFFFAOYSA-N 446.467 2.297 0 40 IEAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@H]2Cn2ccnn2)s1 95469249 HJTJASCKLQBGKR-HNNXBMFYSA-N 439.607 2.288 0 40 IEAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)N1CCCC1 219435821 PRNZEMFDCFOKSN-UHFFFAOYSA-N 441.509 2.486 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(C)(=O)=O 223562046 BPZKLOQRBGYIGT-SFHVURJKSA-N 431.558 2.314 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2ccc(F)cc2)S(C)(=O)=O)cc1Cl 223686862 BKYBPOJOZBDGLJ-UHFFFAOYSA-N 430.885 2.449 0 40 IEAB CN(C[C@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)c1cccc(OCCCN)c1 257244217 IKKCPKJFTMZYBY-RUZDIDTESA-N 449.555 2.461 0 40 IEAB O=S1(=O)C[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)[C@@H](O)C1 575423362 PNYSRMKEQLWYBN-RTWAWAEBSA-N 431.535 2.189 0 40 IEAB CCN1CCN(C(=O)CCn2cnnn2)[C@@H](Cc2ccccc2-c2cccc(C)c2)C1=O 585169006 KAYTVDQQIAYLAN-QFIPXVFZSA-N 432.528 2.341 0 40 IEAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@H](CNC(=O)c1cc(C3CC3)on1)OC2 1565555767 HAVPYOMCCJXBRE-MRXNPFEDSA-N 435.484 2.087 0 40 IEAB CC(C)c1nc(S(=O)(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)cn1C 1888914081 YRRPEFHNABGBKN-IYBDPMFKSA-N 428.562 2.187 0 40 IEAB CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)cc1 932431 JYNDMESIOFJXBF-UHFFFAOYSA-N 426.458 2.470 0 40 IEAB CN(C)CCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 6198525 IROZLULHMBGFRW-KRWDZBQOSA-N 446.573 2.064 0 40 IEAB CCOC(=O)C1=NN[C@]2(c3ccc(Cl)cc3)C(=O)N(c3ccccc3OC)C(=O)[C@@H]12 8451609 OPVSWHGRCRQCOW-IERDGZPVSA-N 427.844 2.256 0 40 IEAB O=C(CSc1nnnn1-c1ccccc1)c1ccc(CC(=O)N2CCOCC2)s1 9465892 ZOTCJEXGNFOLNP-UHFFFAOYSA-N 429.527 2.100 0 40 IEAB O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)OC(F)(F)O2 9634729 HTVGMIVVZYCCSJ-UHFFFAOYSA-N 431.351 2.359 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 9671316 JXNMBONHJRLJRO-UHFFFAOYSA-N 434.514 2.427 0 40 IEAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1 9743707 DGDCKIUMFBKEKB-LJQANCHMSA-N 447.532 2.192 0 40 IEAB CN1C(=O)C(=C(Nc2ccc(Cl)cc2)SCC(=O)N2CCCC2)C(=O)N(C)C1=O 9973702 NGTNJHZLDMCLGI-UHFFFAOYSA-N 436.921 2.370 0 40 IEAB COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3c(C)cc(=O)oc3C)cc2)C1 12775538 NCODAMZDWJNBBL-HNNXBMFYSA-N 448.497 2.083 0 40 IEAB COc1ccccc1NC(=O)Cc1noc(COC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 12965281 DZQFAIKNQIZZFI-QGZVFWFLSA-N 437.408 2.084 0 40 IEAB CCC(=O)N(c1nnc(SCC(=O)NC[C@@H]2COc3ccccc3O2)s1)C1CC1 12979660 AECJEJIIGNQOAI-CYBMUJFWSA-N 434.543 2.492 0 40 IEAB C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc2c(c1)OCO2 13527137 RHRWCDAPPXZECG-FBQBUPJLSA-N 442.512 2.296 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCC1 13554674 HCCFURGRJBLPMC-WCJKSRRJSA-N 443.544 2.400 0 40 IEAB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@@H]1c1ccc(OC)cc1OC 13570314 RUFBZEZATKKWKP-QGZVFWFLSA-N 448.501 2.412 0 40 IEAB COC(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]2CS[C@H]3c4ccccc4C(=O)N32)cc1 13731210 XMZMKLPXQKSFEU-UWJYYQICSA-N 439.493 2.188 0 40 IEAB C[C@@H]1Cc2cc(C(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)ccc2N1S(C)(=O)=O 14084938 ZLRKDUOKZJVDFC-PEBXRYMYSA-N 441.509 2.047 0 40 IEAB Cc1nc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cs1 14371700 WHVTVKIDALDRLX-GORDUTHDSA-N 431.461 2.415 0 40 IEAB COc1cc(OC)c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1Cl 14845451 YHHFXDXQTZPJHC-UHFFFAOYSA-N 429.860 2.368 0 40 IEAB Cc1cc(N2CCN(CC(=O)N3CCC[C@H](c4csnn4)C3)CC2)nc(C(C)C)n1 19117551 GZWJIWOCNORIQG-KRWDZBQOSA-N 429.594 2.288 0 40 IEAB O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCCN1CCOCC1 19376156 OKBPHAKSJJAABH-UHFFFAOYSA-N 426.904 2.165 0 40 IEAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400056 ZIBIZVQQCSKWFW-KRWDZBQOSA-N 435.509 2.402 0 40 IEAB CC(C)NC(=O)[C@H]1CN(Cc2c(F)cccc2F)C[C@@H]1c1ccnc(N2CCOCC2)n1 19450162 JODKFLINCAAZRX-IRXDYDNUSA-N 445.514 2.332 0 40 IEAB Cn1cc2c(n1)[C@H](C(=O)NCc1ccccn1)CN(C(=O)Cc1c[nH]c3ccccc13)C2 19696102 IKLTTZYRELWXFI-HXUWFJFHSA-N 428.496 2.281 0 40 IEAB CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)[C@H]1CC(=O)OC12CCCCC2 19697255 RNZALJSZDVQTSZ-GOSISDBHSA-N 436.512 2.428 0 40 IEAB Cc1cnc(C(=O)N2CC[C@H](c3c(C(=O)NCCN(C)C)sc4ncccc34)C2)cn1 19701998 MMMXTXQAIGSCKI-HNNXBMFYSA-N 438.557 2.316 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1F 20042488 GCFAPURYDOVREQ-UHFFFAOYSA-N 444.506 2.428 0 40 IEAB COc1ccc(CNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c(OC)c1OC 22338501 SZASNZCFVWEJAC-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB CCOC(=O)N1CCC(NC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)CC1 24470939 QOGQWLOUSOSZKV-IBGZPJMESA-N 435.521 2.195 0 40 IEAB COc1cc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(OC)cc1Br 27588026 MEYCSXPCWYQNBQ-UHFFFAOYSA-N 442.335 2.372 0 40 IEAB COC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 32092967 QBDUZZLZPOGVSG-UHFFFAOYSA-N 433.486 2.020 0 40 IEAB O=C(c1ccc(F)cc1Br)N1CCN(S(=O)(=O)c2cccnc2)CC1 33090268 LSFPRGUDRRUNOI-UHFFFAOYSA-N 428.283 2.130 0 40 IEAB CN1C(=O)[C@]2(N=c3ccccc3=C(O)N2C[C@@H](c2ccccc2)N(C)C)c2ccccc21 36353970 FGTVWQAQBLKOSJ-OZXSUGGESA-N 426.520 2.378 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 40113298 SJJQBOLNJAHWRC-UHFFFAOYSA-N 428.851 2.174 0 40 IEAB CC[C@H](c1nnnn1CCOC)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O 57674950 SUTOKPNYYRHQOR-LJQANCHMSA-N 428.537 2.114 0 40 IEAB COCc1cc(N2CCOCC2)nc(C2=CCN(C[C@H](O)c3ccc(OC)cc3)CC2)n1 72339639 OARRYLSOJUSSDS-QFIPXVFZSA-N 440.544 2.291 0 40 IEAB COc1ccc(OC)c2c1cc(C(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)n2C 72402354 YMRBLYIDRBBOJP-ZDUSSCGKSA-N 432.502 2.312 0 40 IEAB O=S(=O)(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1cc(F)ccc1F 77196726 KACPGZDRGXSRDU-UHFFFAOYSA-N 432.456 2.277 0 40 IEAB NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(Br)ccc1I 78879322 MHHYCOMVBFCIML-KCJUWKMLSA-N 437.075 2.438 0 40 IEAB CCc1c(C)nc2n(c1=O)CN(CCCN1CCOCC1)CN2c1ccccc1OC 95481382 IHBOUIINPRUPKH-UHFFFAOYSA-N 427.549 2.214 0 40 IEAB Cn1cc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cn1 96098358 IZZAKWONJNLKLY-UHFFFAOYSA-N 432.527 2.362 0 40 IEAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 100237499 UKAHJJSTQRBPJW-DEXNDLTESA-N 440.235 2.259 0 40 IEAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CN(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C1CCCCC1 100568437 QOIRFBJZTQNRBZ-JTIMCTONSA-N 449.551 2.150 0 40 IEAB COC(=O)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1)C(C)C 101413066 SOVAMZYDBNWLGE-IUODEOHRSA-N 440.547 2.128 0 40 IEAB CS(=O)(=O)N1CCC[C@H](NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 106864557 BVCATFSOUDIADV-VQTJNVASSA-N 429.542 2.088 0 40 IEAB CSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)s1 223621335 BEUZUFHUOOKTEM-UHFFFAOYSA-N 428.546 2.473 0 40 IEAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 223844804 YXYQTIKWDPDXJH-UHFFFAOYSA-N 449.554 2.181 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 409266368 QZQUHEXVADEBAL-UHFFFAOYSA-N 448.497 2.281 0 40 IEAB O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 584906339 BXOSLHOJVFPWDV-WFXMLNOXSA-N 434.496 2.410 0 40 IEAB Cc1cc(C)cc(S(=O)(=O)N2Cc3ccnn3[C@H](CC(=O)NCC3CCOCC3)C2)c1 585095160 GUFYVKHUFSDRRT-HXUWFJFHSA-N 446.573 2.178 0 40 IEAB C[C@@H](Oc1ccccc1F)C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148515 QCOGYXRNJJCXTB-GFCCVEGCSA-N 431.386 2.411 0 40 IEAB O=C(Cn1cccn1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643574980 GXTDFMNXWCFDEK-UHFFFAOYSA-N 440.544 2.189 0 40 IEAB C[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O 679776047 QFBDNDYITMEIKF-SJKOYZFVSA-N 445.397 2.390 0 40 IEAB CC(C)CN1C[C@]23CN(C(=O)c4cnc(Cl)cc4Cl)C[C@@H](C[C@@H]2S1(=O)=O)O3 1565550862 GVKUESWHNAPBHR-HYSWKAIVSA-N 434.345 2.042 0 40 IEAB 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O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCO2 9660735 SQWHKRIRHIYBFO-UHFFFAOYSA-N 444.447 2.168 0 40 IEAB O=C([C@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)c2ccccc2O1)N1CCCCC1 9664542 ZGZBXFDZNZBHEA-OAQYLSRUSA-N 432.480 2.203 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 9667727 XFLRRLYXMIRVEK-QGZVFWFLSA-N 449.504 2.139 0 40 IEAB CNC(=O)NC(=O)[C@@H](OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O)c1ccccc1 9882609 LUXCAFCRXHFMGQ-ROUUACIJSA-N 437.452 2.047 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1 10663382 ZKPJSCXSSKAXAQ-UHFFFAOYSA-N 433.408 2.337 0 40 IEAB COc1ccc(CCNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2Cc2ccccc2)cc1 11845020 ZLQQNIJDQFDZIW-UHFFFAOYSA-N 446.507 2.068 0 40 IEAB COc1ncccc1[C@H](Cc1ccsc1)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 12228880 RROZQKKHSCRZIY-KKSFZXQISA-N 428.514 2.272 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCN(c3ccccn3)CC2)ccc1C 12528995 FZHCFMLCAKHYAE-UHFFFAOYSA-N 445.589 2.181 0 40 IEAB Cc1noc(C)c1COc1ccccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 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IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)cc1 9341915 BRTLQMQOVASRIL-IBGZPJMESA-N 429.542 2.405 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)NCc3ccc(C)cc3)C2=O)cc1Cl 9675097 OVWBGISCGRDQHF-MOPGFXCFSA-N 441.875 2.267 0 40 IEAB NC(=O)c1ccsc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 9953789 BEWZNNQERQVMSI-KRWDZBQOSA-N 428.514 2.066 0 40 IEAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)cn23)n(C)c1=O 10271863 FSUPRNABPKSPCI-UHFFFAOYSA-N 449.389 2.029 0 40 IEAB O=C(COc1ccccc1F)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071600 DIWLUYOBYSGVNV-UHFFFAOYSA-N 439.422 2.115 0 40 IEAB CC(=O)c1sc2[nH]c(CN3CCN(S(=O)(=O)c4ccccc4)CC3)nc(=O)c2c1C 13038564 CCXDWSLNYJNLTQ-UHFFFAOYSA-N 446.554 2.002 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1cccc(Cl)c1 13640123 KOXGTAGMXWZOKV-RBUKOAKNSA-N 441.919 2.263 0 40 IEAB C[C@H](OC(=O)c1cnn(Cc2ccccc2Cl)c1)C(=O)Nc1ncnc2nc[nH]c12 14244156 DGBWKGGGIVQIRA-NSHDSACASA-N 425.836 2.435 0 40 IEAB Cc1ccc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1NC(=O)c1ccco1 14731203 ZYNSXKTZYOCDBC-UHFFFAOYSA-N 445.483 2.479 0 40 IEAB COc1cccc(OCc2nnc(SCC(=O)N[C@@H]3CCOc4ccccc43)n2N)c1 19353824 PZJCYOVUVXBKLQ-QGZVFWFLSA-N 441.513 2.312 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCN(C(=O)Cn3nc(C)ccc3=O)C2)c1 19695021 QVTBUHRXLZSYEH-SFHVURJKSA-N 448.527 2.099 0 40 IEAB Cc1nonc1C(=O)N1CCC(Cc2nn(C)cc2C(=O)NCc2ccc(F)cc2)CC1 19756475 GJMCBXNOUSPVNO-UHFFFAOYSA-N 440.479 2.276 0 40 IEAB CCOc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1 19819904 PHSBYCPJAQUOEV-LJQANCHMSA-N 434.514 2.166 0 40 IEAB CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)cc2c1 19940709 KTOUXEFKEDDPET-QHCPKHFHSA-N 443.555 2.462 0 40 IEAB Cc1csc(CNC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)n1 21022196 OVFKVOQVOTXDPA-UHFFFAOYSA-N 443.510 2.352 0 40 IEAB CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)c2ccccc2O1 23174156 WZPRXJJVWAVGMO-FQEVSTJZSA-N 432.498 2.330 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN([C@@H](C)C(=O)Nc4cc(C)no4)CC3)cccc2c1 29836515 LFTMOQCKWCYOMW-INIZCTEOSA-N 443.529 2.173 0 40 IEAB COCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)cc2Cl)c1=O 44841233 MFQQPMTYCAOYLC-UHFFFAOYSA-N 433.867 2.309 0 40 IEAB O=C(CCNC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1)Nc1ccccn1 48230836 ONHBLIPBJVSJJA-UHFFFAOYSA-N 425.470 2.036 0 40 IEAB COc1cccc(CNC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)c1 49400821 QCONMHHVXIWFSL-UHFFFAOYSA-N 432.524 2.435 0 40 IEAB O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 57681512 VJKIAVIEOOGBJX-CYBMUJFWSA-N 428.436 2.401 0 40 IEAB O=C(CCc1nnc(-c2ccsc2)o1)NCC(=O)N1CCN(Cc2ccccc2)CC1 69416385 KXCSJMLKGODDEJ-UHFFFAOYSA-N 439.541 2.191 0 40 IEAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C[C@@H](C)O1 72277204 ISOVGGMQTWAYRT-JZXOWHBKSA-N 443.997 2.109 0 40 IEAB COc1ccc(OCC(=O)N2CCC3(CC2)CNC(=O)c2ccc(OC)cc2O3)cc1 72393333 UIXGQRBOUYUDAW-UHFFFAOYSA-N 426.469 2.266 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1 102076138 IRYHDWVLKQAVEH-QMWCDGKBSA-N 444.281 2.228 0 40 IEAB COC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1 107859479 TYLSLTXYCZAYKE-UHFFFAOYSA-N 439.497 2.263 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1N1C(=O)CCC1=O 222740751 VJHAUOZEVRIDTP-CYBMUJFWSA-N 446.481 2.159 0 40 IEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)s1 224726842 DMXUDDOTFIEJAL-UHFFFAOYSA-N 427.527 2.173 0 40 IEAB CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 224771666 GZVMNBXFGRQXOK-CHWSQXEVSA-N 430.939 2.368 0 40 IEAB CN(C)CCOc1cccc(C(=O)N(C)C[C@@]2(O)CCN(c3ccnc4cccnc34)C2)c1 257247093 IXJWAUWMSOKNJX-VWLOTQADSA-N 449.555 2.284 0 40 IEAB Cc1nc(C(=O)N2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccn2)C3=O)cs1 306138037 RNHHWXWLAZUGSM-XXBNENTESA-N 449.536 2.279 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408694542 JLDIDYGOSQZHAG-UHFFFAOYSA-N 433.530 2.248 0 40 IEAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 408703283 QSDXZHSCONPQPV-UHFFFAOYSA-N 437.543 2.485 0 40 IEAB Cc1cccc(C)c1N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(C)(=O)=O 409265033 MILFKYZMZSDUQU-UHFFFAOYSA-N 445.541 2.181 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(C(=O)c1ccccc1)C2 1549167687 RFYPICAUCOEOAC-JOCHJYFZSA-N 447.535 2.388 0 40 IEAB CCOC(=O)C(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)OCC 4105975 UGHVIXVXIFHAJY-UHFFFAOYSA-N 430.423 2.487 0 40 IEAB CCCCn1c(SCn2nnc3ccccc3c2=O)nc2cc(S(N)(=O)=O)ccc21 6181502 UDELBTXIKBYEGJ-UHFFFAOYSA-N 444.542 2.339 0 40 IEAB CC(=O)N[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(C)C 9157143 FGXBHZKWYOFNIE-HXUWFJFHSA-N 447.513 2.358 0 40 IEAB Cc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c(C)c1 9315621 AYAIDGBKFWQINB-UHFFFAOYSA-N 439.559 2.104 0 40 IEAB COCCn1c(S[C@H](C)C(=O)NC[C@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 9568576 RCWAYKJUTWPFQG-CHWSQXEVSA-N 437.587 2.369 0 40 IEAB Cn1c(SCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)nnc1-c1cccnc1 9593012 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2.197 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 14225220 MNGJBYGSSMYKAH-UHFFFAOYSA-N 426.516 2.289 0 40 IEAB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5F)CC4)ncnc32)cc1 15884050 FXIVIMTVBTWYJH-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB O=S1(=O)CC[C@H](Sc2nc3ccccc3nc2S[C@@H]2CCS(=O)(=O)C2)C1 18067792 ZQOHGMGSXUWERH-TXEJJXNPSA-N 430.598 2.188 0 40 IEAB O=C(Cc1ccccc1F)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 19369391 MSQHUQKTAJCKLH-NRFANRHFSA-N 436.487 2.388 0 40 IEAB C[C@H](NC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)c1cccs1 19459659 RGTCSEANIHUMHU-PXIJXODZSA-N 427.530 2.273 0 40 IEAB CO[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19592623 KSKKQIUFWYGUNI-MBOZVWFJSA-N 442.560 2.323 0 40 IEAB C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)N(C)C)CC1 27432546 UZEFCBCXFIXJRG-LBPRGKRZSA-N 433.456 2.240 0 40 IEAB Cc1ccc(S(=O)(=O)NCCNC(=O)NCc2cccc(CN3CCCC3)c2)cc1 28391466 RARLAKHLFWHHEW-UHFFFAOYSA-N 430.574 2.369 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CCc3cc(C(C)=O)c(C)o3)CC2)c1 30960154 FTNPRSGSSDCNDK-UHFFFAOYSA-N 446.525 2.459 0 40 IEAB O=C1NC(=O)C2(CCN(C(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)CC2)N1 40033869 GRZJWHXVWUOSAS-UHFFFAOYSA-N 440.525 2.066 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 40062033 ZSYLMLNDABNITD-QFIPXVFZSA-N 430.512 2.285 0 40 IEAB COC(=O)c1cnc(N2CC=C(c3ccccc3)CC2)c(S(=O)(=O)N2CCOCC2)c1 40153386 BAFHIPIRNFCURU-UHFFFAOYSA-N 443.525 2.183 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4)CC3)CC2=O)c(OC)c1 49580865 TWTFTOKKXVZYPQ-SFHVURJKSA-N 437.496 2.041 0 40 IEAB CCOc1ccc(-c2cc(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)n[nH]2)cc1 51315730 JNWHOHRYSPCCAY-UHFFFAOYSA-N 425.533 2.246 0 40 IEAB CN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)Cc1cccc(Cl)c1 58166995 SZPAWPVAYBLNTG-UHFFFAOYSA-N 426.904 2.146 0 40 IEAB C[C@H](O)[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)C1 95469032 AACGSGOAEGBBQB-IEZWGBDMSA-N 434.583 2.483 0 40 IEAB CC(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)c3ccc(Cl)cc3)CC[C@@H]12 96263591 GGVABOGYUFINGL-KNQAVFIVSA-N 433.936 2.042 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223609967 MGLPHEUVFVJUHN-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB CC(=O)Nc1ccc(C(=O)NCCNC(=O)c2cc(OCc3ccccc3)ncn2)cc1 225534175 QQBQWPMDRVYOCH-UHFFFAOYSA-N 433.468 2.174 0 40 IEAB O=C(NCCn1nc([C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)c2cccnc21)C1CC1 257279877 OINLPJJUKPDJJW-MSOLQXFVSA-N 425.533 2.233 0 40 IEAB CCc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)no1 257305177 SOSQACBHFLKKFR-LSQMVHIFSA-N 440.588 2.456 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCc2cn(C)nc2C)CC1 257332667 XYFCIIIRHVAWJO-VDKIKQQVSA-N 440.588 2.497 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)C2CCN(C(C)=O)CC2)CC1 257336903 YQNDIIXIVABZRE-SONWIMMPSA-N 443.588 2.081 0 40 IEAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3sccc3C)C2)cs1 306139251 STGPUOGETGMEJI-FQEVSTJZSA-N 429.571 2.136 0 40 IEAB Cc1nc(CN2CC[C@@]3(CN(C(=O)Cc4ccco4)C[C@@H]3c3cn(C)cn3)C2=O)cs1 306140256 UOEMQGHEGMUYPU-GCJKJVERSA-N 439.541 2.365 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl 408602874 JOEPCRSGALEHFQ-LBPRGKRZSA-N 440.905 2.451 0 40 IEAB CNc1nc(NCCC(=O)N2CCC[C@@H](C)C2)nc(NCCC(=O)N2CCC[C@@H](C)C2)n1 1120855473 LZASKJLTURFXBY-IAGOWNOFSA-N 446.600 2.034 0 40 IEAB CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)c3cccn(C)c3=O)N2Cc2ccccc21 1565556797 WEUMIPASXYGJFA-RTBURBONSA-N 437.544 2.086 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)c1 1888904368 GYAASHTUFBKHNU-UHFFFAOYSA-N 432.550 2.240 0 40 IEAB CCOc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5CC)C[C@H]3C2)cc1 1888947712 WDELTNQOCUFVPU-HOTGVXAUSA-N 442.545 2.002 0 40 IEAB NS(=O)(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccccn2)cc1 933127 AMMSGGUWWDJKHL-UHFFFAOYSA-N 431.539 2.163 0 40 IEAB CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Br)cc2CO)c1 8754767 ZYEJVKVZASXGOP-UHFFFAOYSA-N 443.319 2.209 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 8970973 SCENHLLWBMSJEG-HKUYNNGSSA-N 443.544 2.354 0 40 IEAB CNC(=O)[C@H]1CN(C(=O)CSc2nnc(C)n2Cc2ccccc2)c2ccccc2O1 9481215 COYROAUMTDVZPB-LJQANCHMSA-N 437.525 2.267 0 40 IEAB CCn1c(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)nnc1-c1ccoc1C 9496738 IYBFOCFYWZITJD-UHFFFAOYSA-N 446.533 2.490 0 40 IEAB CSc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9570036 STKBNYUUSNPNOU-UHFFFAOYSA-N 437.562 2.429 0 40 IEAB COc1cccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)c1 9713304 LKKKFIZRZKHNMM-UHFFFAOYSA-N 445.479 2.197 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cccc(C)c2C)cc1 9806791 RVXNJZPZUVURBZ-KRWDZBQOSA-N 445.541 2.220 0 40 IEAB Cc1cccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc[nH]c4=O)n3)CC2)c1 12422962 QQGUGOBIKSPHNZ-UHFFFAOYSA-N 437.525 2.283 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1NC(C)=O 12561043 ZDGQRMICEJSASQ-OAHLLOKOSA-N 447.513 2.363 0 40 IEAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F 12727818 XZTASNYWYLAJRS-IAQYHMDHSA-N 432.420 2.406 0 40 IEAB COc1ccccc1[C@H](C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 13019084 FVBUARQPGWXZDW-KRWDZBQOSA-N 449.548 2.408 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCCn1nnc2ccccc2c1=O 13555051 GHVFOVCZLWALEJ-UHFFFAOYSA-N 426.429 2.014 0 40 IEAB Cc1nnc(NC(=O)[C@@H](C)SC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)s1 13572908 SOPQWSXVFMMTDW-RTXFEEFZSA-N 435.600 2.473 0 40 IEAB CC[C@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccccc1)S(C)(=O)=O 13711445 YYMFYHFINOAOGC-GOSISDBHSA-N 439.559 2.266 0 40 IEAB COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H]4C=CS(=O)(=O)C4)c(C)c13)CCC(C)(C)O2 13726955 OWEQQBZIXCKZMQ-CYBMUJFWSA-N 447.509 2.183 0 40 IEAB COc1ccc(CN2C(=O)C[C@@H](N3CCC(NC(=O)c4ccc(F)cc4)CC3)C2=O)cc1 15024116 FTYSTLICGKAMBN-OAQYLSRUSA-N 439.487 2.356 0 40 IEAB CCc1nnsc1C(=O)N1CCO[C@@](Cc2ccc(-c3cccnc3)cc2)(C(N)=O)C1 19521879 DJIQLOYDBWZEIL-JOCHJYFZSA-N 437.525 2.102 0 40 IEAB COc1ccc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)c(OC)c1OC 19552754 IGQWIPWLDSQQIR-GFCCVEGCSA-N 427.548 2.347 0 40 IEAB COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4CCCO4)C3)nc(O)c2C1 19570590 GMGIAKDPRJDNNO-UTKZUKDTSA-N 438.528 2.244 0 40 IEAB Cn1c(=O)n(C)c2cc(CN3CCO[C@@]4(CC=CCN(Cc5ccccc5)C4=O)C3)ccc21 19704389 RHBZEWHZBMTGEO-SANMLTNESA-N 446.551 2.437 0 40 IEAB Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCCN2CC(=O)NC2CCCCC2)n1 19767198 GXZMXBQHYGYEEM-HXUWFJFHSA-N 429.565 2.233 0 40 IEAB Cc1ccc(C)c(N(CC(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)S(=O)(=O)N(C)C)c1 20244339 BJRKTSNAYRVUKC-KDURUIRLSA-N 438.638 2.400 0 40 IEAB COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1NC(=O)c1cc(OC)cc(OC)c1 20435999 VOLPWJQFAXUMIL-SFHVURJKSA-N 448.497 2.282 0 40 IEAB COC(=O)C1=C(CSc2nnnn2C2CC2)N(C2CC2)C(=O)N[C@@H]1c1ccccc1 22831531 YTJDBRCVUCWNSY-QGZVFWFLSA-N 426.502 2.456 0 40 IEAB COc1cccc([C@@H](CNS(=O)(=O)c2cc(OC)ccc2OC)N2CCOCC2)c1 23108076 JOAPGTIUQSZTIB-LJQANCHMSA-N 436.530 2.064 0 40 IEAB COc1cc(C(=O)NCC(=O)OCc2cn3cc(Cl)ccc3n2)cc(OC)c1OC 23558907 DRCDLSPFTQVKMX-UHFFFAOYSA-N 433.848 2.487 0 40 IEAB O=C1C[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1cccc2ccccc12 25703256 GUMGXEKRABNBHL-JOCHJYFZSA-N 449.532 2.478 0 40 IEAB C[C@H]1c2cccn2CCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 29380660 FAPHYEDOGHADNO-HNNXBMFYSA-N 429.546 2.161 0 40 IEAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2cccs2)cc1 40081981 YKILINUQNKSOPA-CYBMUJFWSA-N 438.527 2.436 0 40 IEAB COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)cc1OC 49409229 LDVHGXFWUIPWAC-UHFFFAOYSA-N 449.529 2.069 0 40 IEAB CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)cc1 58182818 JFSJYGMYGNTHMR-UHFFFAOYSA-N 433.511 2.433 0 40 IEAB CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)COc2ccccc2)cc1 67896978 DHMYCBSNWWZLKJ-NFBKMPQASA-N 428.485 2.001 0 40 IEAB biogenic,in-vitro COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(CN3CCC[C@H](C(N)=O)C3)cc2)c1 72275472 HFZWIBPJTRSBHH-INIZCTEOSA-N 449.504 2.110 0 40 IEAB CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)CCc3cc(OC)no3)CC2)n1 72337225 CWGBZNCELIWDBR-UHFFFAOYSA-N 429.521 2.211 0 40 IEAB Cn1cc2c(n1)[C@H](C(=O)NCCc1ccc(F)cc1)CN(C(=O)COc1ccccc1)C2 72345636 WTTBOEVLUXYCMI-OAQYLSRUSA-N 436.487 2.423 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(c3nc(Cc4cccs4)no3)C2)cc1 77190778 FUIHAJQSDAYTME-UHFFFAOYSA-N 432.527 2.212 0 40 IEAB CCc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 224113926 NBNUZOUTCKLVCC-MRXNPFEDSA-N 448.541 2.370 0 40 IEAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)ccc21 224756933 WAOOHMPSJYTZFO-UHFFFAOYSA-N 447.582 2.394 0 40 IEAB COc1cc(-c2nc3sc(=Cc4ccccc4[N+](=O)[O-])c(=O)n3n2)cc(OC)c1OC 254480583 YFNWKADXYXAXKY-UHFFFAOYSA-N 440.437 2.300 0 40 IEAB CN(C)CCOc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3ccnc4cccnc34)C2)cc1 257256579 KMBHBHFUSGDMON-VWLOTQADSA-N 449.555 2.284 0 40 IEAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 408647450 SXZIDARTPXRCNE-MRXNPFEDSA-N 440.452 2.407 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Br 408670225 WXZRHOLQIJVHKA-YDOWWZDFSA-N 447.285 2.046 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(OC)cc54)[C@H]3C2=O)cc1 504505375 IONSZNNLTKXDEU-UECWXEIQSA-N 433.464 2.135 0 40 IEAB biogenic CC(C)CCc1c(O)nc(SCC(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)nc1O 1323485 RRPZKGOVHLYLHU-HUUCEWRRSA-N 444.557 2.376 0 40 IEAB C[C@@H](C(=O)OCc1nc2ccc(Cl)cc2n1CCO)N1C(=O)c2ccccc2C1=O 3350284 FDNAFGBJOKYRBA-LBPRGKRZSA-N 427.844 2.410 0 40 IEAB CCOc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1 6559310 JHXHUBRDXYJIRT-UHFFFAOYSA-N 430.468 2.355 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)[C@@H]1COc2ccccc2O1 8735284 RIXIXXNNOBCNIL-UNMCSNQZSA-N 432.480 2.329 0 40 IEAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccc(F)cc4)CC3)N2)cc1 8777028 MGLXJSJNTLSTEJ-FQEVSTJZSA-N 437.475 2.034 0 40 IEAB CC(C)Cn1c(N)c(C(=O)CSc2nccn2Cc2ccccc2)c(=O)n(C)c1=O 9126787 GOTZVLUSLJOTOT-UHFFFAOYSA-N 427.530 2.005 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 9689698 NCYXRWFPLLPCQV-IBGZPJMESA-N 435.546 2.010 0 40 IEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 9730251 WDJIKVLZPNBACI-UHFFFAOYSA-N 448.545 2.054 0 40 IEAB NC(=O)c1ccc(-c2nnn(CC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)n2)cc1 11553162 RYEDMJBRLRNQQZ-INIZCTEOSA-N 447.480 2.471 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)NCc1ccc(Cl)cc1Cl 12822430 BRSCNKRPFZFTND-UHFFFAOYSA-N 444.340 2.256 0 40 IEAB O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc2ccccc12 12973421 WJSGHEJRPIGAOU-UHFFFAOYSA-N 436.896 2.222 0 40 IEAB CCN(C(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12)[C@H]1CCS(=O)(=O)C1 13038673 KINOHWPXLDGVGP-AWEZNQCLSA-N 448.570 2.327 0 40 IEAB CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12 15955497 BSVYXBFIVHCHTL-PEBXRYMYSA-N 446.500 2.246 0 40 IEAB biogenic CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2cnccn2)CCO1 19580826 IDFUYJJIPZUDQZ-DEOSSOPVSA-N 431.496 2.081 0 40 IEAB CN(C)C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2)C[C@H]1c1ccnc(N2CCCC2)n1 19583341 HSMJRFUEUDVNKF-UYAOXDASSA-N 447.580 2.323 0 40 IEAB CC(C)(C)[C@@H]1CCc2c(sc3nc(CN4CCN(S(C)(=O)=O)CC4)[nH]c(=O)c23)C1 20143528 BAUNQYJNPLGIMI-CYBMUJFWSA-N 438.619 2.213 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(-c3ccc(F)cc3)o2)cc1 21499426 KIHREEAYQXNHNV-UHFFFAOYSA-N 446.456 2.249 0 40 IEAB CCOc1cccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 22388553 SBWAADGCMFYCAS-UHFFFAOYSA-N 435.521 2.339 0 40 IEAB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22512500 QVIASPVJSJROGS-GJZGRUSLSA-N 434.514 2.498 0 40 IEAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1cn2ccccc2n1 23320332 WPLJGNCWDLJUHB-SFHVURJKSA-N 439.541 2.291 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1)N1CCN(c2ccccc2)CC1 27228911 PBXUNMRTQOLJIT-UHFFFAOYSA-N 449.960 2.323 0 40 IEAB O=S(=O)(NCCNc1cnccn1)c1cc(Br)ccc1Br 31584566 WEWDICIGZUGHMG-UHFFFAOYSA-N 436.129 2.392 0 40 IEAB O=C(O)/C=C/C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(c4ccccn4)CC3)c2c1 31819847 CUYCLVBISWHGTR-WMWRJIBUSA-N 449.467 2.090 0 40 IEAB COc1ccccc1-c1noc(CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)n1 32895041 ZSISCXRDSXEYJT-ZDUSSCGKSA-N 444.517 2.226 0 40 IEAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cs1 32905562 LSEXSSQYLYBMLQ-UHFFFAOYSA-N 433.493 2.267 0 40 IEAB CCOCCCNC(=O)C1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1 32921792 CNFARBIZHISURY-UHFFFAOYSA-N 428.533 2.027 0 40 IEAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)c2cc(-c3ccco3)n[nH]2)c1=O 36653833 NBELPDMTKBFLEP-UHFFFAOYSA-N 443.467 2.363 0 40 IEAB CNC(=O)c1ccc(CN(C)C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)cc1 40104511 ZBRWAKLTNYIIAQ-UHFFFAOYSA-N 426.473 2.003 0 40 IEAB COc1cccc(C[C@H](C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)n2nnnc2C)c1 48366557 GZDFQOXXXNITKQ-UYAOXDASSA-N 446.515 2.223 0 40 IEAB CC(C)C[C@@]1(C)CC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 72293925 SGLLOKFLQQKFHH-NRFANRHFSA-N 435.546 2.221 0 40 IEAB COc1ccc(C[C@H](CO)CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cc1O 79076303 MPHYKLXRQBJJSP-CVDCTZTESA-N 428.529 2.052 0 40 IEAB CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OCC(N)=O)c(OC)c1 79188846 FEQOZWRQPASHRV-WIYYLYMNSA-N 439.420 2.122 0 40 IEAB biogenic CNC(=O)c1cccc(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)c1 83882337 IDZGLQDXYPXEQW-OAHLLOKOSA-N 430.302 2.478 0 40 IEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)Nc1ccc3c(c1)OCO3)C2=O 89920201 IYWFLKOGVJVAID-MCMMXHMISA-N 445.472 2.034 0 40 IEAB CCOC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)CN(C)S(C)(=O)=O 89960803 XVEKWQKJTQETBH-HNNXBMFYSA-N 425.334 2.338 0 40 IEAB CC(=O)CN1CC2(CCN(Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O 96263558 ZKPXUIHLLQYGMD-UHFFFAOYSA-N 429.542 2.336 0 40 IEAB COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3ccccc3Br)C2)cc1 96378219 DXDJCRSBVBDTGX-UHFFFAOYSA-N 446.344 2.305 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1ccccc1Cl)c1ccc2c(c1)OCO2 224159882 NZIOKPHJKXJSHQ-UHFFFAOYSA-N 440.905 2.420 0 40 IEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1COc2ccccc2O1 224369983 GVAQXPATSCBKBC-NRFANRHFSA-N 446.525 2.196 0 40 IEAB CC(C)n1cnc2cc(C(=O)N3C[C@@H](O)[C@H](n4ccc5c(C(N)=O)ccnc54)C3)ccc21 257242776 IEBVXGIYYHANAZ-WOJBJXKFSA-N 432.484 2.124 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C(=O)OC)cc3)C2)cc1 408656192 MTAJZZRLPCINOD-MRXNPFEDSA-N 440.452 2.407 0 40 IEAB O=C(Cn1cnc(C2CC2)cc1=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575618280 UVGSITBEIDBPJE-GOSISDBHSA-N 435.933 2.163 0 40 IEAB CCc1nnsc1C(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(N)=O)C1 585286670 PZTPPYZUAULAHV-LJQANCHMSA-N 438.937 2.228 0 40 IEAB COc1c(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)oc2ccccc12 1638949835 DKAKMZFSODQLRU-MAUKXSAKSA-N 426.444 2.401 0 40 IEAB CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 800008 NJBUMIKVYQCCPK-UHFFFAOYSA-N 437.587 2.132 0 40 IEAB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OCC(N)=O 2700308 WLKYYCFDGZNOHV-FQEVSTJZSA-N 434.456 2.078 0 40 IEAB COc1ccc(-n2ccnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 8776498 YSYJKFBMWAJBHT-UHFFFAOYSA-N 429.502 2.259 0 40 IEAB NC(=O)c1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)sc2c1CCC2 8896150 RLLHNWSUDPYCSW-CQSZACIVSA-N 437.518 2.267 0 40 IEAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 9125419 FDEOPPVXJIEKIL-INIZCTEOSA-N 431.901 2.270 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 9383977 SVIAVASDMKMWHX-UHFFFAOYSA-N 430.486 2.067 0 40 IEAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9711516 ZZIHLSVHGKIHKT-UHFFFAOYSA-N 441.517 2.050 0 40 IEAB CCc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(C(=O)OC)Nc3nnnn32)cc1 10232240 BRYSEMGYEAZTOI-SFHVURJKSA-N 434.412 2.469 0 40 IEAB COCCn1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2cc(Cl)ccc2c1=O 11062167 RVOPZYQEOORUQK-CHWSQXEVSA-N 425.938 2.424 0 40 IEAB CC(=O)NCCOc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CCC2 12364287 YDHNDOREAKFASK-UHFFFAOYSA-N 445.541 2.045 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2N2CCOCC2)C1=O 12553074 GUCHTGOIAKFQGB-XMMPIXPASA-N 436.512 2.405 0 40 IEAB COc1cc(Br)c(S(=O)(=O)N2CCN(c3nccs3)CC2)cc1OC 12773117 OCNNGBVBUVOQGB-UHFFFAOYSA-N 448.364 2.434 0 40 IEAB O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)Nc1cccc(C(=O)NC2CC2)c1 12881569 IPMCNBCPOHPBIA-UHFFFAOYSA-N 446.463 2.212 0 40 IEAB O=C([C@@H]1COc2ccccc2O1)N1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 12934547 HCJRKCYJIZILTR-XZOQPEGZSA-N 435.524 2.334 0 40 IEAB COc1cccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1 13566681 WEMYJODSYYLUOM-UHFFFAOYSA-N 440.905 2.387 0 40 IEAB O=C(CSc1nnc(C2CC2)o1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 14119549 HZULLBNLLPRCEG-UHFFFAOYSA-N 448.570 2.061 0 40 IEAB CC(C)[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19445997 KHBNDWXWXJUTOK-NQIIRXRSSA-N 428.537 2.096 0 40 IEAB COc1ccc(-n2ncc3c2N(CC(=O)NCCc2ccccc2)C(=O)N2CCN=C32)cc1 19558880 GMYXVJZLSWBELP-UHFFFAOYSA-N 444.495 2.242 0 40 IEAB CNc1nc([C@H]2CCCCN2C(=O)CN2CCC(C)CC2)nc2c1CN(C(C)=O)CC2 19710257 FVVAHUQYSUWFAQ-HXUWFJFHSA-N 428.581 2.208 0 40 IEAB COC(=O)c1ccc2c(=O)n(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)cnc2c1 20004217 WPZVUONHGZRTSJ-UHFFFAOYSA-N 440.887 2.185 0 40 IEAB CC/C(=C(/CC)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O)cc1 22057418 LJMPVHCKUXKZAV-PDSLVOJVSA-N 444.480 2.394 0 40 IEAB in-vitro NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 22241641 REAZZXJHCAYFSL-ROUUACIJSA-N 446.429 2.205 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC)CC2)cc1 22247774 DQMFGWCDTYJTQQ-QFIPXVFZSA-N 445.585 2.139 0 40 IEAB CN1CCN(CCCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 22934826 DYLLMGYWVKKITB-UHFFFAOYSA-N 444.601 2.020 0 40 IEAB O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2ccccc2)CC1 24606962 ATQAEBGLGNUZGC-LJQANCHMSA-N 433.599 2.493 0 40 IEAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCc1ccccc1CN1CCOCC1 24841300 IVOHFRKNSMSZSH-UHFFFAOYSA-N 443.569 2.198 0 40 IEAB Cn1c(=O)n(CC(=O)NCc2ccc(Cl)cc2)c(=O)c2ccc(C(F)(F)F)nc21 26129303 GXBPXWRQRBFNHP-UHFFFAOYSA-N 426.782 2.084 0 40 IEAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 32882072 VVNBIPOCPFIYFN-KBXCAEBGSA-N 433.892 2.110 0 40 IEAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nnc(CCC(N)=O)n1C[C@H]1CCCO1 32908776 WYUXEOZJYTVFFW-NVXWUHKLSA-N 431.562 2.187 0 40 IEAB COC[C@H](C)N1C(=S)N[C@H](c2ccccc2F)[C@@H](C(=O)Nc2cc(C)on2)[C@]1(C)O 37291378 VETCPRBLAXYGAD-PAYMVLDXSA-N 436.509 2.352 0 40 IEAB Cc1ccc(-c2cnc(CCC(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)o2)cc1C 40089314 QUGWTCMCZQNESO-QZTJIDSGSA-N 449.573 2.446 0 40 IEAB O=C(CCS(=O)(=O)Cc1nc(Cc2ccccc2)no1)Nc1ccc2c(c1)OCO2 48236019 XYJMCIQMJWKWPW-UHFFFAOYSA-N 429.454 2.333 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1nc2c(Oc3cccc(OC)c3)nccn2c1=O 49008415 FVZQBZKJWNAAFE-UHFFFAOYSA-N 449.423 2.117 0 40 IEAB Cc1ccc(N2CCN(C(=O)c3snc4c(=O)n(CC(C)C)c(=O)[nH]c34)CC2)c(C)c1 49409889 ZHEDZNZMXCKATI-UHFFFAOYSA-N 441.557 2.382 0 40 IEAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccccc3CN3CCC[C@@H]3C(N)=O)cnc12 58317058 YIMWHQDLGIXNFY-HXUWFJFHSA-N 433.512 2.183 0 40 IEAB COc1cc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)cc(OC)c1OC 96114024 UKZIPXMKFCCSCC-INIZCTEOSA-N 427.457 2.204 0 40 IEAB biogenic CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc(O)c4c(n3)CN(C(=O)C3CCC3)CC4)C2)CC1 100239033 KNHXWVRDFRAMDA-OKZBNKHCSA-N 442.560 2.388 0 40 IEAB COc1ccccc1N1C(=O)[C@H]2SC(N)=C3C(=O)Oc4c(OC)cccc4[C@H]3[C@@H]2C1=O 101374328 PBGGRYKGHUOGTD-MPGHIAIKSA-N 438.461 2.182 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102817931 IBVMBBMYHBTRJM-QHXDDQSASA-N 432.517 2.306 0 40 IEAB COc1ccc(-c2noc(CNC(=O)c3ccc(N(C)S(C)(=O)=O)c(C)c3)n2)cc1 222486288 QBQUNFSOJLMBGN-UHFFFAOYSA-N 430.486 2.379 0 40 IEAB Cc1ccc2c(c1)O[C@@H](C(=O)NCc1ccc(CN3CCCC3)cc1)CN2S(C)(=O)=O 224505557 UXHBCUJMDZLFSQ-JOCHJYFZSA-N 443.569 2.434 0 40 IEAB CCOC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224899717 ABMNRIUOXHCABB-UHFFFAOYSA-N 448.497 2.498 0 40 IEAB COc1ccc(C)cc1N(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 224987940 JQRUQIGLNGXUOU-UHFFFAOYSA-N 433.530 2.245 0 40 IEAB CC(C)C[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@@H]23 248189276 JRWGMVQNKKWNRY-GQUJEBGOSA-N 444.491 2.159 0 40 IEAB biogenic,in-vitro CC(C)(CN1CCOCC1)NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248271368 ZOKCQZXVSRBLOW-VWFBZHOWSA-N 427.545 2.168 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 260769563 PKZCGVFQPFXJHT-VBKZILBWSA-N 434.514 2.498 0 40 IEAB Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncc(CCCCCO)cc12 263620641 KDSNFIUIIYYHGI-UHFFFAOYSA-N 432.427 2.129 0 40 IEAB in-vitro CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1C 408620299 JCBIOVLXFXNFCK-GOSISDBHSA-N 431.558 2.409 0 40 IEAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC 408703417 FUIRIPSLSLZXDZ-CYBMUJFWSA-N 436.486 2.268 0 40 IEAB FC(F)(F)c1cc(N2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)ncn1 1888910697 URKJEYBXCYBDHZ-CYBMUJFWSA-N 434.426 2.141 0 40 IEAB Cc1cccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1C 922870 APXYAMGNJMMCPF-UHFFFAOYSA-N 437.587 2.065 0 40 IEAB COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 2065556 XTEDLZKSLWYYIR-UHFFFAOYSA-N 427.320 2.095 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c1 2653213 IGNBJFYDBVZAIL-HXUWFJFHSA-N 426.469 2.171 0 40 IEAB Cc1noc(C)c1C(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 3271749 JJMOXKQAHJFCSZ-STQMWFEESA-N 436.486 2.129 0 40 IEAB CCCCn1c(=O)n(C)c(=O)c2c(C(=O)OCC)cc(-c3ccc4c(c3)OCO4)nc21 3329070 UASVYKPEMNAUCR-UHFFFAOYSA-N 425.441 2.468 0 40 IEAB Cn1c(CCC(N)=O)nnc1S[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O 8723755 OSVGRSIZNAESDL-CQSZACIVSA-N 435.937 2.200 0 40 IEAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)Nc1cccc(C(F)(F)F)c1 8848680 DAIDTRAAOLWWIF-UHFFFAOYSA-N 431.374 2.214 0 40 IEAB O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 9579374 IPHKLYFUEBLWOX-MRXNPFEDSA-N 436.555 2.279 0 40 IEAB CCCCn1c2c(=O)[nH]c(=O)n(C)c2n2c(-c3cc(Br)ccc3OC)nnc12 9827686 YJYJVPIZTJRFSM-UHFFFAOYSA-N 447.293 2.309 0 40 IEAB O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)NC[C@H]1CCCO1 9883977 AGGZPFIWHVLANE-QGZVFWFLSA-N 436.461 2.079 0 40 IEAB CCn1c(S[C@H](C)C(=O)NC(C)C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 11021507 XJFMCYYFIXUVMA-CQSZACIVSA-N 440.591 2.082 0 40 IEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3ccccc3N3CCCC3=O)CC2)C1 12804334 CESKZSUMOJEAPF-RTBURBONSA-N 426.561 2.076 0 40 IEAB NC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 12927620 CDDSCGAXVWSXSF-UHFFFAOYSA-N 431.448 2.364 0 40 IEAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)N[C@H](c2ccccc2)c2cccs2)n(C)c1=O 13128483 VIQOEQUKDPHXDM-OAHLLOKOSA-N 443.916 2.054 0 40 IEAB COC(=O)c1ccc(NC(=O)CCNC(=O)[C@@H]2CS[C@@H]3c4ccccc4C(=O)N23)cc1 13731214 XMZMKLPXQKSFEU-LAUBAEHRSA-N 439.493 2.188 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 14411753 SDLHJLODKJCMKY-UHFFFAOYSA-N 433.530 2.084 0 40 IEAB CCOc1ccc(NC(=O)CSc2nc(C3CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 17307856 RANASAZAHPNLQV-UHFFFAOYSA-N 441.513 2.034 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)NC(=O)NC1 18333038 ACQKRBKKGKDRPU-UHFFFAOYSA-N 446.891 2.488 0 40 IEAB Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CN(C(=O)c4n[nH]c(O)n4)CCO3)c2)cc1 19212701 ATOBERQKWSOUPS-XMMPIXPASA-N 449.511 2.028 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)Cc3ccccc3)[nH]c2=O)C1 19370179 RCUVSIKMPZOYPG-NRFANRHFSA-N 443.507 2.270 0 40 IEAB CN(C)c1ccc(NC(=O)Cn2nc3c(cc2=O)CCc2nc(N4CCCC4)ncc2-3)cc1 19585003 MCLLCBANBXVJMA-UHFFFAOYSA-N 445.527 2.104 0 40 IEAB Cc1nc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)nc2c1CCC(=O)N2CC(C)C 19739360 FEBZALCEQJTDPD-UHFFFAOYSA-N 446.577 2.022 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 19741800 ZSXCEPIAOIUICE-IBGZPJMESA-N 439.491 2.203 0 40 IEAB CC(C)c1ccc(N(CC(=O)NCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 19990957 UGUKRGCGIYUNOH-UHFFFAOYSA-N 445.585 2.454 0 40 IEAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21)Nc1ccccc1Cl 22765771 XSOZGOLLDNCZCO-QZTJIDSGSA-N 441.831 2.043 0 40 IEAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1nnc(C(=O)Nc2ccc(F)cc2)s1 22893268 ZCBLNLDMJYDRDT-UHFFFAOYSA-N 433.490 2.140 0 40 IEAB NC(=O)CSc1nnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s1 23141516 YUWBDUVIYGZQRK-UHFFFAOYSA-N 431.465 2.097 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cn3ccccc3n2)cc1 24757758 MIPUPRJQLAUYES-AWEZNQCLSA-N 430.486 2.205 0 40 IEAB CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1S(=O)(=O)N(C)C 25451864 RIWYAVXCRHHPKH-OAHLLOKOSA-N 449.529 2.420 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)c3nnc4ccccn34)CC2)c1 26277461 FSEDUQAVBPXXKM-KRWDZBQOSA-N 442.545 2.123 0 40 IEAB COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cc2)[nH]1 31652739 FELAJWCMVDSWDY-UHFFFAOYSA-N 445.479 2.339 0 40 IEAB NC(=O)N1CCC[C@@H](C(=O)N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)C1 40107835 DAJABYAQLVJANT-ZBFHGGJFSA-N 426.439 2.276 0 40 IEAB CN1CCN(CCCNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)CC1 44913740 YXSMZVCHBVUAQL-UHFFFAOYSA-N 437.426 2.415 0 40 IEAB CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)[C@H](COC)Cc1ccccc1 72309414 GAYVGKFNXAUBIK-UXHICEINSA-N 448.589 2.069 0 40 IEAB Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)CCn3c(=O)oc4ccccc43)CC2)on1 72396439 ZGGGYVWKWULEHH-UHFFFAOYSA-N 449.467 2.438 0 40 IEAB Cc1ccc(C)c(N2CCN(C(=O)c3c[nH]c(=O)n(Cc4ccccc4F)c3=O)CC2)c1 77099864 HHJQXRXMDVMSDD-UHFFFAOYSA-N 436.487 2.303 0 40 IEAB Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 95475854 WOONQDLMASNJMU-UHFFFAOYSA-N 430.461 2.023 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21)Nc1ccccc1 101174239 XZDGVDMXIMBFSD-JKSUJKDBSA-N 428.246 2.381 0 40 IEAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCCN1C(=O)Cc1cccs1 107340340 DSOXJCIWJOUHCM-TZIWHRDSSA-N 427.570 2.299 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(S(C)(=O)=O)cc1 223895687 RPHJHEJICVYEAT-NSHDSACASA-N 426.541 2.043 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3cccc(C)c3)no2)ccc1OC 223905340 FQTYJWRAGAAIEM-UHFFFAOYSA-N 430.486 2.282 0 40 IEAB COc1ccc(S(=O)(=O)NCc2nc(-c3cccs3)no2)cc1C(=O)NC(C)C 223906311 LITREZLBKWLHHG-UHFFFAOYSA-N 436.515 2.423 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 225186225 NZKYIFVJCJDCHV-UHFFFAOYSA-N 434.905 2.468 0 40 IEAB CC(C)CN1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 245229518 AHMYIHLZXLGTIQ-BHQAQYLNSA-N 443.588 2.301 0 40 IEAB CCOc1ccc2[nH]c(C(=O)N3CC[C@H](O)[C@@H](N4CCN(C(C)=O)CC4)CC3)c(C)c2c1 257232440 GKVJRMBCMDNZKF-VXKWHMMOSA-N 442.560 2.005 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)CCn4ccnc4C)CCO3)c2)cn1 257340793 ZHOPXBWETBVEHH-QFIPXVFZSA-N 448.527 2.307 0 40 IEAB CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@H]2CN(Cc3ccccn3)C[C@H]21 306140922 VGTKZHPUTRGFOU-PKOBYXMFSA-N 428.558 2.396 0 40 IEAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 408607108 QBDGADRNTNJUJA-LJQANCHMSA-N 445.585 2.485 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1 408657264 ORBIGGJAGJCBOS-CQSZACIVSA-N 445.859 2.024 0 40 IEAB CC(=O)N1CCCN(C)CCN(C(=O)Cc2c(C)nc(C)nc2O)Cc2ccccc21 643557757 WIDJPIDGSLCWNJ-UHFFFAOYSA-N 425.533 2.059 0 40 IEAB COc1cc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)ccc1OCC(N)=O 1547139258 RALNYTOINMCNPX-OAQYLSRUSA-N 446.463 2.241 0 40 IEAB biogenic COC(=O)[C@@H]1COC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CN2C(=O)OCc2ccccc2)=N1 1857793890 QATIVSDPBZHEPZ-ULQDDVLXSA-N 447.488 2.261 0 40 IEAB O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)NC[C@@H]1CCCO1 3534184 WAAPOPOULWURGZ-KRWDZBQOSA-N 427.888 2.160 0 40 IEAB COc1ccc(N(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 6074334 FFIONTMCKUEPGN-UHFFFAOYSA-N 440.479 2.436 0 40 IEAB CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)C[C@H]1NC(=O)NC1=O 8690851 IVBVVOVYPYPZNZ-IERDGZPVSA-N 434.562 2.292 0 40 IEAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2N1 9203511 OKYQKJFTIGJDBE-OAHLLOKOSA-N 429.498 2.281 0 40 IEAB Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2N2CCOCC2)cc1 9207545 FLRWCYROBVHOFZ-UHFFFAOYSA-N 435.513 2.267 0 40 IEAB Cn1c(=O)c2c(nc(N3CCCC3)n2CCSc2nc3ccccc3s2)n(C)c1=O 9392047 VXDCQJARUVZUSX-UHFFFAOYSA-N 442.570 2.436 0 40 IEAB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1cc(Cl)ccc1-n1cncn1 9499713 MCSUHJVPLOKDDK-UHFFFAOYSA-N 428.865 2.333 0 40 IEAB Cc1ccc(OCc2nnc(SCC(=O)NC(=O)NC3CCCCC3)n2N)c(C)c1 9645752 NOCHNUQYMGGSIG-UHFFFAOYSA-N 432.550 2.438 0 40 IEAB COc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(OC)c3)CC2)c1 9850706 BOJVHIRVUMHGSB-UHFFFAOYSA-N 445.483 2.190 0 40 IEAB CCCn1nc(C)c(C(=O)N2CCC[C@@H]([C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)c1C 12232971 YVNHCOIEIBVEPK-OXQOHEQNSA-N 431.562 2.492 0 40 IEAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3C)n(N)c2=O)cc1 12348060 HPKOUNHEQZRLJA-UHFFFAOYSA-N 425.514 2.299 0 40 IEAB COc1cccc2cc(-c3ccc(OCC(=O)N[C@@H]4C=CS(=O)(=O)C4)cc3)c(=O)oc12 12409750 LYRJHNQXCZMCQZ-MRXNPFEDSA-N 441.461 2.274 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 12753965 LXAHJSLBYGERJZ-ZVDOUQERSA-N 436.622 2.473 0 40 IEAB CCOC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 12779755 BZUXHFVYLKGYLO-UHFFFAOYSA-N 443.953 2.041 0 40 IEAB COc1ccccc1CNC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12936641 XDUITUIIZCMYJY-KRWDZBQOSA-N 449.548 2.236 0 40 IEAB COC(=O)[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)C(C)C 13001313 OWNBRKJMKGRFPL-FQEVSTJZSA-N 448.541 2.443 0 40 IEAB COc1ccccc1N1CCN(CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)CC1 15375868 WUTIQPIDJGHYKD-LJQANCHMSA-N 445.585 2.478 0 40 IEAB O=C(CN(C(=O)[C@@H]1CSC(=O)C1)c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 15935907 JRJUDMIGJQYVLU-AWEZNQCLSA-N 430.457 2.484 0 40 IEAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 17161706 ZBRWXWZARNSUKQ-LSDHHAIUSA-N 446.525 2.268 0 40 IEAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)C1 19463259 XMBKWGXXLBEIOA-KFWWJZLASA-N 426.542 2.392 0 40 IEAB CNc1nc(C2CCN(CC(=O)N(C)C3CCCCC3)CC2)nc2c1CCN(C(C)=O)C2 19710830 OGTQYJWFUNYLRA-UHFFFAOYSA-N 442.608 2.393 0 40 IEAB CNc1nc([C@H]2CCCN2S(=O)(=O)c2cc(F)ccc2OC)nc2c1CN(C)CC2 19710877 JQJWVIBTHPCACU-MRXNPFEDSA-N 435.525 2.180 0 40 IEAB C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)C[C@H](C)O1 20029281 OKELKRWGNXRJSN-IRXDYDNUSA-N 447.539 2.244 0 40 IEAB COC(=O)c1ccc(OC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 21587020 SCUCDYNRKYYSGI-INIZCTEOSA-N 433.482 2.488 0 40 IEAB COc1ccc([C@H](NC(=O)CCc2c(C)nc(SC)[nH]c2=O)c2nccn2C)cc1 24026248 GNNAGDZMGGEILL-SFHVURJKSA-N 427.530 2.381 0 40 IEAB CN1CCN(CCNc2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)CC1 32853553 HOAPGDYOYAYADB-UHFFFAOYSA-N 426.348 2.288 0 40 IEAB C[C@H]1CCCN(Cc2ccccc2CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 40112315 IEJYEOIJVZZUKF-KRWDZBQOSA-N 428.558 2.032 0 40 IEAB CC[C@@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(OC)c(OC)c1 44856880 KDLUBAUWZREAGI-QRWLVFNGSA-N 434.514 2.498 0 40 IEAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCCC(=O)NCc2ccccc2)C(C)C)c1 58161443 LEJYMZYEGNFCQL-QFIPXVFZSA-N 441.528 2.281 0 40 IEAB CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 67870727 ZYQITKGERHHTCD-JAXLGGSGSA-N 428.602 2.245 0 40 IEAB biogenic,in-vitro CN1CCCC[C@H](C2CCN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)C1=O 72372043 ACAXANFCWLBENP-JOCHJYFZSA-N 430.568 2.445 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccs3)n(C3CC3)c2=O)cc1 96096678 HUMWHFWAEVSWOU-UHFFFAOYSA-N 447.542 2.045 0 40 IEAB Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)Nc3ccccc3)CN(C)C(=O)C2)no1 96113383 LFABBVKIZJYZRC-SJLPKXTDSA-N 427.505 2.438 0 40 IEAB biogenic,in-vitro COC(=O)c1ccc([C@H]2[C@H]3C(=O)NC(=O)[C@H]3ON2c2ccc(Br)cc2)cc1 100764805 SZILRFRNINFUAK-PMPSAXMXSA-N 431.242 2.370 0 40 IEAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225618944 QNJABPLCRSPWFM-NRFANRHFSA-N 445.541 2.000 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ncncc3-c3ccnc(N)c3)C2)cc1C 257218895 DEUDGGNQVYZQJW-IBGZPJMESA-N 425.514 2.500 0 40 IEAB CN(C(=O)c1cn(C)cn1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257269192 MOYOQSVXDHGLPL-GTTYTOFKSA-N 427.545 2.490 0 40 IEAB CC(C)NC(=O)N1CC[C@@]2(CCn3c2nc2c(c3=O)CN(Cc3cccc(F)c3)CC2)C1 306145115 ZYOFLFQDYCMQBH-XMMPIXPASA-N 439.535 2.406 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2cccc(C)c2C)cc1 408622253 VISNDVBDBZPVGL-UHFFFAOYSA-N 445.585 2.256 0 40 IEAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 409340046 PJFAGZOSZMYEON-UHFFFAOYSA-N 425.470 2.425 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1=O 643556592 LZXQWXMFRAGAQV-RUZDIDTESA-N 443.588 2.334 0 40 IEAB COc1ccc([C@H](CC(=O)NCC(C)(C)N2CCOCC2)c2oc(C)cc(=O)c2O)cc1 1547139555 STSMASCMHHWKRO-IBGZPJMESA-N 444.528 2.411 0 40 IEAB biogenic Cc1nc(/C=C/C(=O)N2CCOc3ccccc3CCCOC[C@@H](O)[C@@H](O)CC2)cs1 1615158305 RIFJQVKHFCNNAZ-FIKIWUFISA-N 446.569 2.447 0 40 IEAB O=C(c1ccc(N2CCOCC2)cc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1776008325 BAWUMXYQEQNMMJ-UHFFFAOYSA-N 434.418 2.426 0 40 IEAB COc1ccc(CN2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)cc1F 1888921913 PDTYSYPZRWQZMO-QGZVFWFLSA-N 426.496 2.475 0 40 IEAB CCOC(=O)Cn1nnnc1CN(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O 926442 KBORHIKPJCBCMG-UHFFFAOYSA-N 436.472 2.182 0 40 IEAB CCOC(=O)c1ccc(NC(=O)c2n[nH]nc2NS(=O)(=O)c2ccc(C)cc2)cc1 4635095 WJQFQDSBFVDWMJ-UHFFFAOYSA-N 429.458 2.343 0 40 IEAB COc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)cc1 8848407 GSOPQYBWIWDJNT-HXUWFJFHSA-N 430.848 2.464 0 40 IEAB COc1cccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc3c(c2)OCO3)c1 9126714 GKKHATKDBAPFDV-UHFFFAOYSA-N 445.435 2.080 0 40 IEAB C[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9184143 XNKMLYQZHDGCHQ-PXNSSMCTSA-N 435.590 2.289 0 40 IEAB CCOc1cc(C(=O)Oc2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCOCC1 9384386 PPUGRQGUVBVCHN-UHFFFAOYSA-N 429.425 2.271 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3c2cnn3-c2ccc(F)cc2)CC1 9517628 IROQSFYXKXRHIF-UHFFFAOYSA-N 444.492 2.347 0 40 IEAB Cc1cc(C)cc(-n2nnc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)cnc32)c1 9517826 DSIKKRDOFQPWIA-UHFFFAOYSA-N 432.440 2.004 0 40 IEAB Cc1ccc(CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3)CC2)cc1 9714164 MSNXSPMKOQIWIC-UHFFFAOYSA-N 444.539 2.102 0 40 IEAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 9884244 IPEWTMYRUSKQHC-FNORWQNLSA-N 440.928 2.376 0 40 IEAB COc1ccccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 9963938 SMEMFPWVVHNQDN-UHFFFAOYSA-N 446.525 2.002 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)c(OCC)c1 11613240 HKOUSTLEBCSVOX-UHFFFAOYSA-N 436.534 2.102 0 40 IEAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 12181408 JUWOJHZPZFHVNQ-UHFFFAOYSA-N 431.496 2.231 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N1CC[C@H]3CCCC[C@H]3C1)c(=O)n2Cc1ccccc1 12506927 GUBPQPRYVLWJFE-UXHICEINSA-N 449.555 2.467 0 40 IEAB NC(=O)[C@@H]1CN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c2ccccc2O1 12749723 RMQOXCPRIVRARR-FQEVSTJZSA-N 426.432 2.279 0 40 IEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CN2C(=O)C(=O)c3ccccc32)cc1 12881160 IAAZPVMYGYPSFI-HNNXBMFYSA-N 441.509 2.418 0 40 IEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 12886498 KVTIOQMOVHVNFE-UHFFFAOYSA-N 431.558 2.080 0 40 IEAB C[C@@H](NC(=O)CN1CCN(c2nnnn2-c2ccccc2)CC1)c1ccccc1Cl 12974590 YRCHAFDCTGDOOL-MRXNPFEDSA-N 425.924 2.315 0 40 IEAB CCCCN(C(=O)c1cccnc1OCC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13072404 GZEPWXHIXSYDTA-UHFFFAOYSA-N 437.500 2.408 0 40 IEAB CC[C@@]1(C)NC(=O)N(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1=O 13098938 MMVXBPOUQSBUIX-QGZVFWFLSA-N 447.845 2.123 0 40 IEAB Cn1nnc2c(N3CCN(C(=O)NC(c4ccccc4)c4ccccc4)CC3)ncnc21 13534812 LBNZLYSLOXDYAZ-UHFFFAOYSA-N 428.500 2.380 0 40 IEAB COc1ccc([C@@H]2CC(=O)c3cnc4[nH]n(-c5nc(C)cc(O)n5)c(=O)c4c3C2)c(OC)c1 13639698 CFDCPNRHASSMCO-LBPRGKRZSA-N 447.451 2.448 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 14396650 MFDSOSZZBCLOKX-UHFFFAOYSA-N 448.497 2.429 0 40 IEAB Cc1cccc2c1NC(=O)[C@@]21N[C@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 16022007 NLLXPTRRSFTVMA-UHYQSWOWSA-N 433.508 2.462 0 40 IEAB O=C(CCc1ccccc1O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 18013242 SIMHRXMWEHROCP-UHFFFAOYSA-N 446.525 2.019 0 40 IEAB CCc1cc(C(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3ccc(C(N)=O)cc3)C2)on1 19695067 VFEBJTHHOBTXKB-INIZCTEOSA-N 434.500 2.489 0 40 IEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)cc2)n1 21351581 CQDZOIGKEZGJDS-OAHLLOKOSA-N 443.529 2.315 0 40 IEAB CCOC(=O)C1CCN([C@@H](c2cccnc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697853 VQFJVPKEJCIUGO-NRFANRHFSA-N 429.517 2.268 0 40 IEAB CC(C)(C)NC(=O)CN1CCCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 23240920 XNUFIDHLYLNAAN-UHFFFAOYSA-N 441.576 2.493 0 40 IEAB Cc1ccc(C(=O)N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 32358272 RUTJHUKCJYPPSQ-UHFFFAOYSA-N 449.960 2.254 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccccc2)cc1OC 33647903 ICRNJRKWZKCJMV-SFHVURJKSA-N 448.541 2.190 0 40 IEAB O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCCC1 35388084 BZAVIXKOYAURDM-JOCHJYFZSA-N 427.570 2.498 0 40 IEAB Cc1noc([C@@H]2CCCN([C@@H](C)C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)C2)n1 40156384 DZTFHPZJAJKDOH-CMPLNLGQSA-N 425.411 2.118 0 40 IEAB O=C(NCCCN1CCCC1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 44845726 MSNMMWDCXWTMLE-UHFFFAOYSA-N 427.998 2.484 0 40 IEAB Cc1ccc(Nc2cc(C)n3c(=O)n(Cc4cc(=O)n5ccccc5n4)nc3n2)cc1F 49410833 MBFOOFPPGKIRNS-UHFFFAOYSA-N 431.431 2.447 0 40 IEAB Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccc(CN3CCCC[C@@H]3C)cc2)cn1C 57265520 DGNDQAQGHQJPSR-KRWDZBQOSA-N 447.605 2.088 0 40 IEAB CN(CC(=O)Nc1nnc(C(F)F)s1)S(=O)(=O)c1ccc(Br)cc1 69454535 MARPMZMPEZYTMU-UHFFFAOYSA-N 441.279 2.497 0 40 IEAB COC(=O)c1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccc(OC)cc2O3)s1 72393338 NEFSODUUBXYISE-UHFFFAOYSA-N 430.482 2.341 0 40 IEAB CC(C)c1cc(C(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)n(C)n1 72394933 CSBMLXJBKWIQTK-AEFFLSMTSA-N 427.549 2.013 0 40 IEAB Cc1nccn1-c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn1 77197081 HTMRIJHPZQDMMI-UHFFFAOYSA-N 436.900 2.274 0 40 IEAB O=C1NC(=O)[C@H](Cc2ccc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)N1 95456110 GKRIKYXGBCZFAQ-SFHVURJKSA-N 427.892 2.445 0 40 IEAB O=C(/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccccc1CN1CCNC1=O 95465516 UTGLYKAUKQYMDN-KPKJPENVSA-N 440.525 2.304 0 40 IEAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 96114461 QSQITBCOURJRGD-NXHRZFHOSA-N 438.919 2.308 0 40 IEAB biogenic O=C(O)[C@@H]1[C@H]2O[C@@H](C(Br)=C2Br)[C@@H]1C(=O)NCc1ccccc1 100352246 DEWFVKCHJHZNRI-OTMMVIPVSA-N 431.080 2.402 0 40 IEAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 101590163 SXAWMYQDSKGJHW-NCYKPQTJSA-N 447.422 2.348 0 40 IEAB COc1ccc(-c2nnc(SCc3cc(=O)n4ncnc4[nH]3)n2C[C@H]2CCCO2)cc1 102807709 DCTPDWIIWXSRQB-MRXNPFEDSA-N 439.501 2.156 0 40 IEAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 109028725 USOFYTLMVKAZQK-LEWJYISDSA-N 427.570 2.478 0 40 IEAB CCOc1ccc(N([C@@H](C)C(=O)NCCOc2cccc(OC)c2)S(C)(=O)=O)cc1 223708054 CVICGFIWRXMTOT-INIZCTEOSA-N 436.530 2.444 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)OCO2 224998626 YYQBEKQKDIACKI-UHFFFAOYSA-N 447.513 2.047 0 40 IEAB O=c1c(=O)n2c(nn1CC1CCCCC1)CO[C@@]1(CCN(Cc3ccc(F)cc3)C1)C2 306131616 KKAUNBLNAGHEKK-HSZRJFAPSA-N 428.508 2.299 0 40 IEAB Cc1ccccc1N1CCC(O)(CN2CC[C@@H]3[C@@H](CCCCN3S(C)(=O)=O)C2)CC1 585283251 MLOBWBXJSQAWKB-RBBKRZOGSA-N 435.634 2.462 0 40 IEAB Cc1oc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(C)c3cc2c1C 2124756 IXPUSTQCKVWLNJ-NRFANRHFSA-N 442.468 2.349 0 40 IEAB biogenic Cn1c(=O)c2c(nc(NC[C@H](O)c3ccccc3)n2Cc2ccc(Cl)cc2)n(C)c1=O 2372804 JXFSKCCYCBSFHO-KRWDZBQOSA-N 439.903 2.281 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)c2nc3nccc(C)n3n2)sc(CC)c1C 3372907 UEYWXBPZNREDAH-UHFFFAOYSA-N 431.474 2.337 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 3406665 TYZMFZRXOLOLMQ-UHFFFAOYSA-N 444.962 2.434 0 40 IEAB O=S(=O)(/C=C/c1ccccc1)N1CCN(Cn2c(NCCO)nc3ccccc32)CC1 6133707 FOEMUHLMETZRKU-LICLKQGHSA-N 441.557 2.016 0 40 IEAB COc1ccc(NCC(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)N1CCOCC1 9127354 SHIWWWZSEUGEMF-UHFFFAOYSA-N 433.530 2.384 0 40 IEAB Nc1nc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)nc(Nc2ccccc2)n1 9368117 BDLLZDAGFARWTO-KRWDZBQOSA-N 428.456 2.342 0 40 IEAB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccc3NCCO)c2C(N)=O)C1 9442690 VEXPEXKTDYGALX-LBPRGKRZSA-N 431.514 2.172 0 40 IEAB CCN(CC)C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2cc(C)on2)c2ccccc21 9519604 PCLJTYSXMJXWSD-UHFFFAOYSA-N 432.502 2.219 0 40 IEAB COCCn1c(S[C@@H](C)C(=O)NC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 9568573 RCWAYKJUTWPFQG-STQMWFEESA-N 437.587 2.369 0 40 IEAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)C2=NNC(=O)CC2)cc1 9633868 IJPWHQUHTWDCAS-FQEVSTJZSA-N 434.452 2.182 0 40 IEAB COc1cc2oc(=O)c(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)O)c(C)c2cc1OC 11865469 JCQZIXYSTBCDCD-QGZVFWFLSA-N 441.436 2.179 0 40 IEAB biogenic COc1cccc(-n2c(=O)n(CC(=O)c3ccc(C)c(C)c3)c3c(C(N)=O)nc(C)nc32)c1 12236964 KSUFQTOMZZXOGT-UHFFFAOYSA-N 445.479 2.498 0 40 IEAB NC(=O)[C@H]1CN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)c2ccccc2O1 12749728 RMQOXCPRIVRARR-HXUWFJFHSA-N 426.432 2.279 0 40 IEAB COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1 13085160 LWGAEMIENXCOGS-QFIPXVFZSA-N 441.503 2.303 0 40 IEAB O=S(=O)(c1ccc(Sc2ccc3nnc(C(F)(F)F)n3n2)nc1)N1CCCC1 14266709 XFOBZRANPHMMPK-UHFFFAOYSA-N 430.437 2.474 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCc2sccc2C1 14779072 NNNWOYGPNSOWDM-UHFFFAOYSA-N 435.571 2.074 0 40 IEAB O=C(NCCCN1CCOCC1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 17171325 AOHZPYCYJMKBBI-UHFFFAOYSA-N 445.585 2.079 0 40 IEAB CN1CCN(C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)[C@@H](c2ccccc2)C1 19751668 VVAASIUSRKUPSV-HSZRJFAPSA-N 444.535 2.294 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccccn4)CC3)c(Cl)c2)C1=O 19797450 UNKVMBUMCWKVDQ-CQSZACIVSA-N 448.932 2.010 0 40 IEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 20245898 NGRKMDZNXWKQHJ-JXMROGBWSA-N 442.585 2.400 0 40 IEAB C[C@@H](NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2 23751969 RTJONDVBYGFZLI-MRXNPFEDSA-N 425.485 2.139 0 40 IEAB COc1ccc([C@@H]2CCCCCN2C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 24392591 ZAYPJAORIYIKPH-PXNSSMCTSA-N 447.557 2.304 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)cc1 32095512 USIWNDXCNMTDHM-HNNXBMFYSA-N 449.916 2.152 0 40 IEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 32900500 RRDFLDYDNDGYQU-IHPCNDPISA-N 434.558 2.420 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 36569387 XSPQLZPYCKMAFO-LJQANCHMSA-N 434.489 2.039 0 40 IEAB CCn1c(CCC(=O)NCc2c(C)noc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 48364395 KWKZZEYLNFONAI-UHFFFAOYSA-N 433.534 2.160 0 40 IEAB Cc1ccccc1N1CCN(C(=O)c2snc3c(=O)n(CC(C)C)c(=O)[nH]c23)CC1 49409903 MQZFYDWZZHVIDC-UHFFFAOYSA-N 427.530 2.073 0 40 IEAB O=C(CN1CCCC[C@H]1C(=O)N1CCOCC1)NCC1(c2ccc(F)cc2)CCCC1 72093046 CZUXKUJVVGULKM-NRFANRHFSA-N 431.552 2.467 0 40 IEAB CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@@H](C)OCc3cccc(OC)c3)C2)no1 95436366 FJEZHQYDGKCTIU-QAPCUYQASA-N 430.505 2.195 0 40 IEAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2ccccc2C)CC3)C1=O 96144433 MJHCQPFSUDBRBP-DEOSSOPVSA-N 426.561 2.453 0 40 IEAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96394569 QFEBXDGEOYJMGE-CQSZACIVSA-N 433.501 2.431 0 40 IEAB CC(C)OC(=O)c1cc(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 100859261 GZECYWSMZIKHJK-XSLAGTTESA-N 431.441 2.410 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)c(C)c4)[C@@H]3C2=O)cc1OC 101169888 MZQVZGABVXUJDT-PMACEKPBSA-N 437.456 2.253 0 40 IEAB O=c1c2ccccc2nnn1C[C@H]1CC[C@H](C(=O)N2CCN(c3ccccn3)CC2)CC1 101620121 HCPMZXDWFGILSE-KDURUIRLSA-N 432.528 2.342 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1cccc(F)c1 106615698 NCLOXHOSPVNJIO-HNAYVOBHSA-N 433.480 2.272 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223229233 GOXWCNMWSBKHEO-HXUWFJFHSA-N 449.548 2.308 0 40 IEAB CSc1nnc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)s1 224510547 IJJRVDTYUNPVNM-NSHDSACASA-N 434.952 2.469 0 40 IEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225069067 YPGXQLHAHWXGKP-GFCCVEGCSA-N 435.527 2.402 0 40 IEAB COC(=O)c1cc(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)cnc1OC 225958319 FJRUZAWLOMVUAD-UHFFFAOYSA-N 441.893 2.226 0 40 IEAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3ccccc3F)C[C@H]2N1Cc1ccccn1 306123092 AEIBJVAPAXNISL-UXHICEINSA-N 440.500 2.452 0 40 IEAB Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 408659349 SDTRBTUDYDLBQP-AWEZNQCLSA-N 429.860 2.324 0 40 IEAB CCc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(C)cc1 409028217 JKAYRLWIYASPGS-UHFFFAOYSA-N 443.569 2.477 0 40 IEAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)c1=O 575614706 BUZRUTCHOARIIJ-UHFFFAOYSA-N 434.422 2.323 0 40 IEAB C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)c1ccc(Cl)cc1)CC2 643564811 HLSKXOLJUSWKEU-INIZCTEOSA-N 435.952 2.384 0 40 IEAB O=C1CN2CCN(S(=O)(=O)C3CC3)C[C@H]2COc2ccc(-c3ccccc3)cc2N1 1772594465 CDPPYBOWCAMQIA-SFHVURJKSA-N 427.526 2.163 0 40 IEAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(C)c3cc12 2121919 DABDOQOBTIEPOD-IBGZPJMESA-N 442.468 2.349 0 40 IEAB biogenic C[C@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 9502928 RPXAPBCSJLFZAZ-GYCJOSAFSA-N 437.496 2.406 0 40 IEAB C[C@H](OC(=O)c1cc[n+]([O-])cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9634587 DVVQHOXSSWALKK-ZDUSSCGKSA-N 439.390 2.359 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccc4)CC3)ccc2N1 12794588 DBAZIGPVOLWJCS-UHFFFAOYSA-N 427.526 2.288 0 40 IEAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCCNC(=O)c1ccc(C(F)(F)F)cc1 12860555 CLZWIRWJHAZFKO-UHFFFAOYSA-N 435.324 2.432 0 40 IEAB O=C(CNC(=O)c1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 12974209 QMXIKLUYXZYPHF-ATVHPVEESA-N 427.457 2.408 0 40 IEAB COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)c3ccccc3)n2C)cc1 13955888 XIXRKKINYJZTHY-QGZVFWFLSA-N 426.498 2.262 0 40 IEAB COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3ccc(NC(C)=O)cc3)n2)cc1 16890476 NSRRQRIAXTXSQB-UHFFFAOYSA-N 435.440 2.101 0 40 IEAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)c4ccc(CN5CCOCC5)o4)C[C@@H]32)Nc2ccccc21 19374846 MTHVBVWNNGMGBP-MTJJIEKYSA-N 436.512 2.146 0 40 IEAB Nc1ncnc2nc([C@H]3CN(C(=O)CN4CCC(c5ccccc5)CC4)CCO3)ccc12 19704818 MPTQRVKTXBSDAD-OAQYLSRUSA-N 432.528 2.387 0 40 IEAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1S(=O)(=O)N1CCOCC1 22526213 KAVRBBNVLAANIT-INIZCTEOSA-N 434.514 2.431 0 40 IEAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1S(=O)(=O)N(C)C 23078433 JWHSGNDOUDBIDU-UHFFFAOYSA-N 426.498 2.103 0 40 IEAB O=C(Nc1cccc(C(F)(F)F)c1)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 24601667 ZWFUPKGJIDXKNI-KRWDZBQOSA-N 449.495 2.449 0 40 IEAB COC(=O)C1=C(CSc2nc(N)cc(N)n2)N(C2CC2)C(=O)N[C@H]1c1ccccc1 25043848 NJODRXVTWOFLJS-KRWDZBQOSA-N 426.502 2.089 0 40 IEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)C1 32759362 UATVEDXMIBGYGV-HUUCEWRRSA-N 431.961 2.290 0 40 IEAB COc1cccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 32765616 WCUCJANIZRMZGH-UHFFFAOYSA-N 442.497 2.210 0 40 IEAB COc1cc(CNC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cc(OC)c1OC 36392011 LMWIDYGZLZIYSD-QFBILLFUSA-N 448.516 2.311 0 40 IEAB COc1ccc(OC[C@@H](O)Cn2c(C[C@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 40050657 LJUFBHDVDXKGQB-SJORKVTESA-N 430.526 2.462 0 40 IEAB CCCn1nc(C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)c2ccccc2c1=O 40052620 CKODNHSBTDMTOL-UHFFFAOYSA-N 430.486 2.439 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(O)c(C(=O)O)c3)c(Cl)c2)C1=O 41182033 JVXVHGSDHFUFAR-SECBINFHSA-N 438.845 2.309 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccc(OC)c(OC)c3)n2)c(F)c1 44900870 ISZRQKUBEAGSHL-UHFFFAOYSA-N 441.459 2.434 0 40 IEAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)C[C@H](O)CN3CCN(C)CC3)c12 89567342 LYCQYNHGCASTDF-SFHVURJKSA-N 444.624 2.298 0 40 IEAB COCCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc(S(C)(=O)=O)ccc21 100873816 BRGJQPAASWJJBX-ATJXCDBQSA-N 442.522 2.437 0 40 IEAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 100898228 VXYHEQRLQJPEOZ-TUNNFDKTSA-N 434.602 2.363 0 40 IEAB O=C(O)CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C5(CCCCC5)[C@H]34)[C@@H]2C1=O 107440472 FUPMLKHYFHMFNU-FIELNBBESA-N 448.566 2.454 0 40 IEAB CSCC[C@@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 208474946 WIBGGHJXPAPRSW-GOSISDBHSA-N 445.564 2.064 0 40 IEAB CCCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)s1 223493850 NCZFUTQBFGMFBZ-UHFFFAOYSA-N 446.576 2.317 0 40 IEAB COc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C 224024030 PPIFRJGHRIKXIH-UHFFFAOYSA-N 438.571 2.316 0 40 IEAB C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@H](C[C@H]3C)C1(C)C 224195093 VDJHFHXMUKFKET-QHUYGHLHSA-N 430.541 2.332 0 40 IEAB biogenic,in-vitro COC(=O)c1ccc(OC)c(S(=O)(=O)NCC2CCN(C3CCSCC3)CC2)c1 239593143 DRAZUXULNPMEMY-UHFFFAOYSA-N 442.603 2.368 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2ccco2)cc1 244975093 IBDNYWWMIULSNZ-FQEVSTJZSA-N 446.506 2.209 0 40 IEAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3ccccc3F)C[C@@H]2N1Cc1ccccn1 306123093 AEIBJVAPAXNISL-VQTJNVASSA-N 440.500 2.452 0 40 IEAB Cc1ccc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@@]42CCN(C(=O)NC(C)C)C2)cc1 306135657 OWZNYHVATQANBZ-RUZDIDTESA-N 449.555 2.215 0 40 IEAB COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCCN(C(=O)CS(C)(=O)=O)C3)nn2c1 306144972 ZTROLTFGQKJIDO-OAHLLOKOSA-N 446.504 2.295 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCO)c1cccc(C(F)(F)F)c1 408589328 HALSPHPFQHCSHJ-UHFFFAOYSA-N 446.447 2.326 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1cccc(I)c1 408625805 ZFXRSDVAZVTKLS-PQTQVYOHSA-N 448.260 2.283 0 40 IEAB O=S1(=O)CC[C@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575422250 APDHSYWXTMNCCZ-NWDGAFQWSA-N 428.359 2.350 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 614837631 PFBTXVCUMKUJLN-UHFFFAOYSA-N 438.531 2.407 0 40 IEAB Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2ccc(Br)cc2)n(C)c1=O 838123 ZDGLPTRCNKIENU-UHFFFAOYSA-N 444.289 2.450 0 40 IEAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 1372350 NLSXSKSGWRHPLQ-UHFFFAOYSA-N 438.488 2.466 0 40 IEAB C[C@H]1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 3216197 AKPBKHAAXWAFOL-ZDUSSCGKSA-N 431.352 2.342 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@](NC(=O)C(C)(C)C)(C(F)(F)F)C2=O)cc1OC 3624442 LJJGZMIJZKTGLX-GOSISDBHSA-N 431.411 2.219 0 40 IEAB COc1cc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4ccccc4)CO[C@H]23)cc(OC)c1 4222843 ZKVANKAMRLGODN-MTQWCTHYSA-N 428.441 2.217 0 40 IEAB biogenic,in-vitro CCCCc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1 4370778 ZHWXCLDOTDKUOB-AWEZNQCLSA-N 425.489 2.112 0 40 IEAB COc1cc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)ccc1OCC(N)=O 8860311 DERMNZZZWYEQLE-OAQYLSRUSA-N 448.483 2.387 0 40 IEAB CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2nnc(C)s2)n1C 9263988 JQIMFQMOVTXAAR-UHFFFAOYSA-N 431.547 2.449 0 40 IEAB C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 12472732 UVDGCSPKMFLGMI-AWEZNQCLSA-N 437.525 2.172 0 40 IEAB O=C(c1cn2ccccc2n1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 12507088 XFEGBPPDEWHHBQ-UHFFFAOYSA-N 434.887 2.496 0 40 IEAB O=C(NCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1)c1ccc(Br)o1 12946732 AIYZCAHHBUYGDU-UHFFFAOYSA-N 448.317 2.327 0 40 IEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2)n1 13250537 RQRFFPJXFOYGDK-DLBZAZTESA-N 430.486 2.500 0 40 IEAB CC[C@H](C(=O)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 14164502 ZWJBOHONSYYRQK-GOTSBHOMSA-N 448.567 2.246 0 40 IEAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O 14186383 BODORQBIYCPJAO-OAQYLSRUSA-N 433.403 2.424 0 40 IEAB C[C@H]1CN(C(=O)COC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@@H](C)O1 15151652 ZMAXRYXOOIAMLZ-IYBDPMFKSA-N 432.498 2.280 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C3N4CC5(C)CN3CC(C)(C4)C5=O)c2c1 19320573 CRXIZXZMTPARRI-UHFFFAOYSA-N 430.574 2.424 0 40 IEAB CN(C)c1ncc2c(=O)[nH]c(C3CCN(C(=O)Cc4cn5ccsc5n4)CC3)cc2n1 19585733 BWLKOIQPSOYWTN-UHFFFAOYSA-N 437.529 2.042 0 40 IEAB CCNC(=O)CN1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CC1 29335318 HZFBTZAHMNLSAA-UHFFFAOYSA-N 443.548 2.488 0 40 IEAB COc1ccc([C@H](CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)N2CCOCC2)cc1 29993624 MBFKBLUBPYTMDM-GMAHTHKFSA-N 437.540 2.233 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccccc2)c1 33603376 UHCPLRDEZQREBZ-LJQANCHMSA-N 448.541 2.190 0 40 IEAB O=C(Cn1cccc(C(F)(F)F)c1=O)NC1CCN(C(=O)c2ccccc2F)CC1 48300743 SUEPEGNPORIAHM-UHFFFAOYSA-N 425.382 2.427 0 40 IEAB NC(=O)c1ccc(S(=O)(=O)N2CCN(CCSc3ccc(Cl)cc3)CC2)o1 58156981 VXQKQRCCBPZZKO-UHFFFAOYSA-N 429.951 2.131 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 58158519 BWWPMFNASTZMDB-KRWDZBQOSA-N 445.495 2.356 0 40 IEAB COc1ccc2c(c1)NC1(CCN(C(=O)C[C@@H]3C[C@@H](C(C)=O)C3(C)C)CC1)NS2(=O)=O 72327967 RUIVRYHMRGEATE-RDJZCZTQSA-N 449.573 2.359 0 40 IEAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1C(F)F 95462979 OBINESPCQHTCAM-UHFFFAOYSA-N 435.426 2.292 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1OC 96373798 UHBNRXPZZQGKSS-UHFFFAOYSA-N 425.528 2.331 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]4[C@H]3Sc3[nH]c(=O)sc3C43CCCCC3)[C@H]2C1=O 101261937 ULJQFMBPPQGCOO-NVAFIHLTSA-N 434.539 2.064 0 40 IEAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)CC2=O)c1 138606193 IPEDKPJJUQTYBJ-MRXNPFEDSA-N 440.452 2.441 0 40 IEAB O=C1C[C@H](C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)CN1[C@H]1CCS(=O)(=O)C1 521731415 WNQZCSZRBSSUAS-ABSDTBQOSA-N 429.542 2.257 0 40 IEAB CNC(=O)[C@@H]1CN(C(=O)c2cccc(Oc3ncccn3)c2)CCN1Cc1ccccc1 585261754 GLFGEHQGYCXAGW-NRFANRHFSA-N 431.496 2.342 0 40 IEAB O=C1Cc2cc(S(=O)(=O)N3CCC(COc4cc(C5CC5)ncn4)CC3)ccc2N1 1565520749 MHRBKRICWSGOGU-UHFFFAOYSA-N 428.514 2.328 0 40 IEAB CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 1888866399 VOCOXKULHBFDID-CHWSQXEVSA-N 440.447 2.107 0 40 IEAB COCCn1cnc2c(N3C[C@H]4CN(c5cc(C(F)(F)F)nc(C)n5)C[C@@H]4C3)ncnc21 1888913868 BGCBHYDIUXHYEL-ZIAGYGMSSA-N 448.453 2.163 0 40 IEAB CCOC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1 2369622 NBTZXMBTMKVNJL-UHFFFAOYSA-N 427.482 2.166 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]3C(=O)NC3CCCC3)CC2)cc1 2385571 ZIMVLALITYEEPJ-OAQYLSRUSA-N 447.601 2.446 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(Cn1ncc(Cl)c(Cl)c1=O)n2CCC 3347713 UOCKBSLTEWMSDN-UHFFFAOYSA-N 427.292 2.008 0 40 IEAB CCOCCCNC(=S)N(CCCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6195245 BDDYKDATBOYHEQ-UHFFFAOYSA-N 448.589 2.312 0 40 IEAB O=C(CCn1c(=O)oc2ccccc21)OCc1cc(=O)n2cc(Br)ccc2n1 9244664 DYVFKSYQERVHFF-UHFFFAOYSA-N 444.241 2.498 0 40 IEAB CCCCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc(CNC(C)=O)o3)cc2C1=O 9284221 CMBAYXFPRKHMMH-UHFFFAOYSA-N 426.425 2.352 0 40 IEAB CCn1c(SCC(=O)OCCN2C(=O)c3ccccc3C2=O)nnc1-c1ccco1 9398502 GRCQYUVEQMMFJL-UHFFFAOYSA-N 426.454 2.490 0 40 IEAB COc1cccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c1 9743352 ZKLORVTXIWVLPQ-GOSISDBHSA-N 445.541 2.383 0 40 IEAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCC(=O)C(C)(C)C 10102983 CYJULIGDVSTVHX-UHFFFAOYSA-N 437.500 2.286 0 40 IEAB CCN(CC)C(=O)Cn1c(=O)n(C(C)C)c2nc(-c3ccc(C)s3)nc(C(N)=O)c21 12274886 JETOGGJGHMLXNU-UHFFFAOYSA-N 430.534 2.178 0 40 IEAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12618423 WDVAUTGILOWCDW-OAHLLOKOSA-N 444.944 2.305 0 40 IEAB CNS(=O)(=O)c1ccc(/C=C/C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)cc1 12642447 RJOJOJIGSNBWMY-GWKQRERASA-N 441.509 2.486 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N3CCN(C)c4nc5ccccc5nc43)CC2=O)cc1OC 12913641 BPZFBTRHFIRPSZ-HNNXBMFYSA-N 447.495 2.483 0 40 IEAB CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)O)c(=O)n3CC(=O)c2ccccc2)CO1 13607681 YJRIELMKLQUQIK-UHFFFAOYSA-N 428.466 2.044 0 40 IEAB CC[C@@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1ccccc1)S(C)(=O)=O 13685895 RKQZPFNAMHJMCF-IBGZPJMESA-N 433.530 2.246 0 40 IEAB O=C(C[C@@H]1N=C(N2CCN(Cc3ccccc3)CC2)NC1=O)Nc1ccc(Cl)cc1 13719448 LKTJXGBJPHJAPE-IBGZPJMESA-N 425.920 2.341 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 18204400 OQMIKXJGAOYGRU-HNNXBMFYSA-N 434.514 2.216 0 40 IEAB CN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc21 18935300 UTTFZEWEQWDMQM-HXUWFJFHSA-N 432.524 2.370 0 40 IEAB O=C(C1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19014557 ASRYVMBGPIWJNW-MOPGFXCFSA-N 428.533 2.077 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)Cc3ccccc3)[nH]c2=O)C1 19370181 RCUVSIKMPZOYPG-OAQYLSRUSA-N 443.507 2.270 0 40 IEAB CN(CC(=O)NC(=O)Nc1ccc(Br)cc1)Cc1nc2ccccc2c(=O)[nH]1 19532970 VHVIEASPHLEMJC-UHFFFAOYSA-N 444.289 2.466 0 40 IEAB O=C(Nc1ccc(F)cc1)c1cccn(CC(=O)N2CCN(C3CCCC3)CC2)c1=O 19750301 OOFWIVYFQFUVDY-UHFFFAOYSA-N 426.492 2.327 0 40 IEAB O=C(NCc1cccnc1-n1cccn1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 24642682 NDMWJDKKNDWVLS-UHFFFAOYSA-N 437.481 2.269 0 40 IEAB COCCNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc(C)cs2)c1 24924496 ABVGYBLVHYZOLQ-UHFFFAOYSA-N 434.337 2.391 0 40 IEAB COc1ccc([C@H](CNC(=O)CCc2nc3ccccc3[nH]c2=O)N2CCOCC2)cc1 32969216 GKIYXJLGYUSQJM-QFIPXVFZSA-N 436.512 2.054 0 40 IEAB CN(C)CCNC(=O)c1cccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)c1 40146376 YWTZKTRRTWOKQM-UHFFFAOYSA-N 444.454 2.327 0 40 IEAB O=C1N[C@H](CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)C(=O)Nc2ccccc21 44903122 GPUIPSZPWZMFFA-MECCDNJOSA-N 432.524 2.375 0 40 IEAB O=S(=O)(Cc1ccccc1CNCc1csc(-c2ncccn2)n1)N1CCOCC1 58099990 VSRFQISNALXVDU-UHFFFAOYSA-N 445.570 2.052 0 40 IEAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)C1 58331643 NPEFKOXRXZZMCU-NVXWUHKLSA-N 425.551 2.026 0 40 IEAB O=C(CN1C(=O)S[C@@H]([C@H]2SC(=O)NC2=O)C1=O)Nc1cccc(C(F)(F)F)c1 65090496 FSMYRHPJVRPLDJ-ZJUUUORDSA-N 433.389 2.060 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCC[C@H](C)[C@H]3C)CC1)CNC2=O 72328026 YVAYBFDRDOIBNJ-SRGWNRLKSA-N 443.544 2.216 0 40 IEAB COc1ccc2c(c1)CN(C(C)=O)C[C@@]1(CCCN(C(=O)CCCn3cncn3)CC1)O2 72394797 JYSADNMNVYKJFC-QHCPKHFHSA-N 441.532 2.259 0 40 IEAB CCCC(=O)N1CCc2nc(C3CCN(Cc4cnn(CCC)c4)CC3)[nH]c(=O)c2C1 72398998 FLSSYNLLYIFESN-UHFFFAOYSA-N 426.565 2.441 0 40 IEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 89534381 HJSKIZJCJYHQKT-UHFFFAOYSA-N 430.508 2.393 0 40 IEAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCCN1C(=O)S/C(=C/c3ccc(F)cc3)C1=O)CS2 96544240 PFCKDYSBOWKATG-NFPZXEGGSA-N 449.529 2.432 0 40 IEAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21)Nc1ccc2c(c1)OCCO2 101165899 JWZPNJPRPBHIEP-MSOLQXFVSA-N 441.831 2.043 0 40 IEAB COc1ccc(CN(C(C)=O)[C@@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 223261470 VDMIUGJRZOPRLV-DEOSSOPVSA-N 439.556 2.103 0 40 IEAB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccc(C(=O)O)cc1 408589061 CUNIVASWBCGNIK-CXUHLZMHSA-N 440.408 2.340 0 40 IEAB O=C(Nc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)ccn1)C1CC1 505143876 SZZVVTPMSUZVJA-UHFFFAOYSA-N 448.932 2.230 0 40 IEAB COc1ccc2c(ccn2CCC(=O)NCCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 524731333 TYRPWOACPOMNCN-QUCCMNQESA-N 434.540 2.437 0 40 IEAB biogenic CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(Cc1ccccn1)C2 1549166752 HVKVHZBLOWUIDC-JOCHJYFZSA-N 434.540 2.143 0 40 IEAB O=S(=O)(Cc1ccccc1)N1CC[C@@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888921697 LEXKCTZEMCBYJO-CQSZACIVSA-N 441.435 2.374 0 40 IEAB Cc1cccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4ccc(F)cc4)C3)CC2)c1 2037946953 CEASOMKSGQRABY-ZCYQVOJMSA-N 444.547 2.342 0 40 IEAB COCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 6904552 LBCKCSRLLPKICY-MRXNPFEDSA-N 437.562 2.121 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C 8879364 DSLQAGRVZBIDON-UHFFFAOYSA-N 435.502 2.116 0 40 IEAB COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 9306168 FKRZDCSZWHDFKQ-QGZVFWFLSA-N 441.513 2.018 0 40 IEAB CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccccc21 9616000 AASYVTMIPGSSTL-CQSZACIVSA-N 441.484 2.093 0 40 IEAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 9662614 YWHQADKCDRBSDH-UHFFFAOYSA-N 432.498 2.120 0 40 IEAB COc1ccc(OCCN2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cc1 9669397 GQZJDPYGIUDBEC-UHFFFAOYSA-N 446.573 2.076 0 40 IEAB COc1ccccc1CNC(=O)CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2 10255404 AXMSNVMRXTYHNI-MRXNPFEDSA-N 429.542 2.328 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C 12554929 NSLVNTJRZJVWEG-HNNXBMFYSA-N 429.473 2.439 0 40 IEAB Cc1cc(NC(=O)c2nccnc2N)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 12792873 PCKRQXBMNCSYOH-UHFFFAOYSA-N 425.470 2.275 0 40 IEAB CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)N1CCOCC1 12971545 HTCGVNZMJUGVGO-RXVVDRJESA-N 437.606 2.194 0 40 IEAB COCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCN(Cc3ccccc3)CC2)no1 15673402 YKUSZIZIZDSLJD-SFTDATJTSA-N 426.561 2.324 0 40 IEAB biogenic,in-vitro O=C(Cc1ccccc1)N1CC[C@H](c2nc(=O)c3c([nH]2)CN(Cc2cccnc2)CC3)C1 19370119 WBILYPXEHNDLGX-FQEVSTJZSA-N 429.524 2.282 0 40 IEAB CNC(=O)c1ccc(-c2ccc([C@@H]3CN(C(=O)CC4(O)CCCCC4)CCO3)nc2)cn1 19693830 TUIWEFKHIUAUFD-NRFANRHFSA-N 438.528 2.488 0 40 IEAB CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)S(=O)(=O)Cc3ccccc3)n2)CC1=O 19700947 CHQNNWFJCGJMOE-GOSISDBHSA-N 445.589 2.229 0 40 IEAB CC(C)C(=O)NCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1 22384394 UYZOYZZHDMXAMH-GOSISDBHSA-N 426.542 2.459 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cn3c(-c4cccs4)noc3=O)CC2)c(C)c1 48275247 WVFBTJOWQKCPAZ-UHFFFAOYSA-N 434.543 2.146 0 40 IEAB O=C(NCCN1CCN(c2ccccc2)CC1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 56925363 KCRXIFHSDNUPKQ-LJQANCHMSA-N 425.508 2.052 0 40 IEAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ncccn2)CC1)Nc1ccsc1 67870876 MJNNJEWPZDIOQN-CMKODMSKSA-N 441.605 2.192 0 40 IEAB biogenic,in-vitro O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCc2[nH]c3ccc(Cl)cc3c2C1 72272777 POIRJGDACWWFQG-UHFFFAOYSA-N 428.901 2.445 0 40 IEAB CCn1c(CCC(=O)N2CCC[C@H]2C(C)(C)O)nc2cc(S(=O)(=O)N(C)C)ccc21 95432276 FSUSNUKTBNZNJG-SFHVURJKSA-N 436.578 2.001 0 40 IEAB CC(C)(C)S(=O)(=O)CCNC(=O)c1ccnc(Cl)c1I 95449674 DRPKUPJNJUBHLP-UHFFFAOYSA-N 430.695 2.283 0 40 IEAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(OC)cc4OC)[C@@H]3C2=O)cc1 95481455 VCQJUXDAKRZTIZ-PMACEKPBSA-N 437.456 2.198 0 40 IEAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)cc1 96226085 ZQOGQBUOPZOIHI-OAQYLSRUSA-N 431.489 2.360 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1 100430780 FBXMFZTWOZKAKG-MTVYNVTBSA-N 443.588 2.443 0 40 IEAB COc1cc(/C=C2/SC(=O)NC2=O)cc(I)c1OCC(=O)O 214269893 SHYZKRVWMDPTRN-RUDMXATFSA-N 435.195 2.087 0 40 IEAB COc1cccc(N(CCCC(=O)NCCCN2CCC[C@H](C)C2)S(C)(=O)=O)c1 260813063 PDJFFFJTXUIRJI-SFHVURJKSA-N 425.595 2.480 0 40 IEAB CC(C)(C)CC(=O)N1c2ccccc2S(=O)(=O)N[C@H]2CN(Cc3ccccn3)C[C@@H]21 306140919 VGTKZHPUTRGFOU-HKUYNNGSSA-N 428.558 2.396 0 40 IEAB Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c1 408615156 MRROAIJAKZOUPV-ZWKOTPCHSA-N 439.512 2.171 0 40 IEAB COc1ccccc1NC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C 409164794 NXZQZSNKEPGZQK-UHFFFAOYSA-N 425.514 2.413 0 40 IEAB CCC(=O)N1CCCN(C)CCCN(C(=O)Cn2cncn2)Cc2cc(F)c(F)cc21 643581455 SDKZLFDAUOGNAW-UHFFFAOYSA-N 434.491 2.054 0 40 IEAB Cn1cc(-c2cnc(OC3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)nc2)cn1 1889226090 WGBSEIODCSVBLM-UHFFFAOYSA-N 445.409 2.381 0 40 IEAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)c(OC)c1 932204 WQBBPXBEANEUEP-UHFFFAOYSA-N 428.474 2.369 0 40 IEAB COc1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)c(OC)c1 932320 JTGCVRQFBCWECS-UHFFFAOYSA-N 431.474 2.428 0 40 IEAB O=C(CSC(=S)N1CCOCC1)Nc1ncc2c(n1)C[C@H](c1ccco1)CC2=O 2425637 BFANXKFXQACWJZ-LBPRGKRZSA-N 432.527 2.271 0 40 IEAB COc1cc(OC)cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 3399757 SSXBXNOYQCCFMA-UHFFFAOYSA-N 425.441 2.297 0 40 IEAB CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)NCCNC(C)=O)[C@@H](CC)C2)c1 8295693 QYSQMWIIUAFFMI-ROUUACIJSA-N 446.548 2.386 0 40 IEAB biogenic,in-vitro CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 9049692 FNCLGXJXVFKITB-JKSUJKDBSA-N 426.510 2.028 0 40 IEAB COc1ccccc1NC(=S)NNC(=S)NNC(=S)Nc1ccccc1OC 9086989 UCGWRXNHXHBICQ-UHFFFAOYSA-N 436.588 2.271 0 40 IEAB Cc1cc(=O)n2c(n1)NC(N1CCN(c3ncccn3)CC1)=N[C@H]2c1ccc(Cl)cc1 9289385 SHUCYYZVUPAEBJ-GOSISDBHSA-N 436.907 2.146 0 40 IEAB O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)[C@@H]1CC(=O)N(c2ccccc2)C1 9517998 YORPEDKRTPAHHB-OAHLLOKOSA-N 436.493 2.292 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)c(F)c1 9548974 QTULSXUDJOGWOD-IQMFZBJNSA-N 444.507 2.178 0 40 IEAB Cc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1 12881315 RJAMMWJSPFDRDQ-UHFFFAOYSA-N 426.498 2.108 0 40 IEAB Cn1nc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c2ccccc2c1=O 13148210 RAZWXGGLXBFSMC-UHFFFAOYSA-N 440.403 2.026 0 40 IEAB O=C(CN1C(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccccc21)Nc1ccc(Br)cc1 13629123 ITSTXYWOLWIHTG-YOEHRIQHSA-N 444.285 2.010 0 40 IEAB CCC[C@@H](C)NC(=O)CN(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14246800 ZAJVQXGMXWNDKN-QGZVFWFLSA-N 429.565 2.324 0 40 IEAB Cc1ccc(C)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 18220839 UENPXYIJVVVGAQ-UHFFFAOYSA-N 430.526 2.134 0 40 IEAB Cc1nc(C)c(C(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)s1 19702966 PDBONBATROGBAQ-AWEZNQCLSA-N 446.554 2.305 0 40 IEAB CNc1cc(CN(C)C(C)=O)nc(C2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 19710209 RXLFNLIIYXLJIL-UHFFFAOYSA-N 428.512 2.454 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)ncc1C(=O)N1CCCCC1 19763215 ALMPZJSBWMGWFM-KRWDZBQOSA-N 440.548 2.163 0 40 IEAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)c2cnn(C)c2)n1 19767026 TVWGNMNYTWYHOY-LJQANCHMSA-N 446.577 2.497 0 40 IEAB NC(=O)N[C@H](CC(=O)N1CCN(c2nccs2)CC1)c1cccc(Br)c1 27133686 RWGKUFQDZRDYTR-CQSZACIVSA-N 438.351 2.354 0 40 IEAB O=C(COc1cccc(NC(=O)C2CC2)c1)NCCN1CCN(c2ccc(F)cc2)CC1 31824421 UFPBHRYGLVFPOJ-UHFFFAOYSA-N 440.519 2.491 0 40 IEAB COc1ccc(CN2CCN(C(=O)Cn3nc(-c4cccs4)oc3=O)CC2)cc1F 32233730 JNIBLDFAHMWCSG-UHFFFAOYSA-N 432.477 2.057 0 40 IEAB O=S(=O)(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1=Cc2ccccc2CC1 39976050 AQCZHYQZYVGSHW-UHFFFAOYSA-N 448.566 2.114 0 40 IEAB COc1cc2c(cc1OC)n(CC(=O)NCc1ccccc1Cl)c(=O)n1nc(C)nc21 69350503 QFCQBXOXRHPJQH-UHFFFAOYSA-N 441.875 2.340 0 40 IEAB O=C(Cn1cccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 72399103 DJWKFPRMLPPDQS-LJQANCHMSA-N 438.557 2.340 0 40 IEAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCC(OCCCN(C)C)CC3)c2C)n1 79013566 BPWQPJCZJUKCDH-UHFFFAOYSA-N 428.581 2.398 0 40 IEAB CCn1c(O)c(C(c2ccccn2)c2c(O)n(CC)c(=S)[nH]c2=O)c(=O)[nH]c1=S 100625949 OMZQFGKSYOGZAG-UHFFFAOYSA-N 433.515 2.151 0 40 IEAB COc1ccc(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)cc1OC 224730801 GODTUPGDZPFHJG-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB COc1ccccc1S(=O)(=O)N1CCC(n2nc(-n3nc(C)cc3C)ccc2=O)CC1 1775969847 OIFHYZIYUVKAAI-UHFFFAOYSA-N 443.529 2.080 0 40 IEAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OC(C)=O)c(OC)c1 3636418 LKDWRXCRGCZKFV-IBGZPJMESA-N 448.497 2.460 0 40 IEAB CO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O 4721308 WYAMNJUPQNEGOI-XTAUHMBVSA-N 436.504 2.449 0 40 IEAB biogenic,in-vitro CC1CCC2(CC1)NC(=O)N(NC(=O)CSc1nnc(Cc3cccs3)n1C)C2=O 8895911 CVMZNBCQHUSESK-UHFFFAOYSA-N 448.574 2.091 0 40 IEAB Cc1cc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)n2N)[nH]n1 9450936 IULFOBYZWFOOHU-UHFFFAOYSA-N 426.275 2.323 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2C(C)C)cc1 9713719 NNLKBANDYXQVKP-HNNXBMFYSA-N 438.575 2.272 0 40 IEAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)n1 9748277 HRHXJZFHJAZBEY-CYBMUJFWSA-N 438.575 2.400 0 40 IEAB COc1ccc(CCNC(=O)CSc2nnc(-c3cccc(F)c3)n2N)cc1OC 9800959 ZOACDQDOAOKLGM-UHFFFAOYSA-N 431.493 2.266 0 40 IEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)C1=O 9955355 KWQOFODKFVUVDI-KRWDZBQOSA-N 442.781 2.019 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC1(c2ccccc2)CC1 10496682 VPXZLNGOIGAHJE-UHFFFAOYSA-N 429.542 2.239 0 40 IEAB CCCN([C@@H](C)C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 12918318 DGLVVVCDKBHGSK-LBPRGKRZSA-N 426.926 2.205 0 40 IEAB CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 13680104 TWJAYOJYNWSEMQ-UHFFFAOYSA-N 437.543 2.485 0 40 IEAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 14809427 JRQBXQJPKQDYPL-OAHLLOKOSA-N 437.496 2.479 0 40 IEAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c(OC)c1 19819929 MNAYWAULUFCLBG-ZDUSSCGKSA-N 426.477 2.131 0 40 IEAB O=C(CN1CCN(CN2C(=O)NC3(CCCCCCC3)C2=O)CC1)Nc1ccc(F)cc1 22933937 SFWHBOZDKMQNMM-UHFFFAOYSA-N 445.539 2.374 0 40 IEAB O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)Nc1ccc2[nH]c(=O)[nH]c2c1 23074705 INHSUFPNEKVPCQ-UHFFFAOYSA-N 447.451 2.088 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3csc(-n4cccc4)n3)CC2)cc1 30819442 VOSSCGUZDKSJAZ-UHFFFAOYSA-N 446.554 2.018 0 40 IEAB CCn1c(CCC(=O)Nc2nnc(C(C)C)o2)nc2cc(S(=O)(=O)N(C)C)ccc21 32809827 JWDFBSCZJABUEG-UHFFFAOYSA-N 434.522 2.384 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)Cc2c(F)cccc2Cl)cc1 32910201 JQZRPIWDPGDPBR-UHFFFAOYSA-N 442.896 2.268 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 33899906 FEUHMDGMNAMRAF-ZDUSSCGKSA-N 436.486 2.186 0 40 IEAB Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)ncn2)n1 35597285 QUIYBWJRRZRVCT-UHFFFAOYSA-N 430.468 2.348 0 40 IEAB NC(=O)CS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 36293367 WLQONAWVPQBRMD-UHFFFAOYSA-N 446.915 2.148 0 40 IEAB O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)Nc1ccccc1I 46585896 PGYQBQNGKYUECV-UHFFFAOYSA-N 449.204 2.323 0 40 IEAB COc1ccc(CN2CC(=O)N(c3cccc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 57747556 HXFUZEKIVDWAMX-RBUKOAKNSA-N 430.526 2.027 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)C2)cc1 64689625 BUGXSIFFBHIWLI-ZWKOTPCHSA-N 430.526 2.352 0 40 IEAB O=C(C[C@H](CN1CCN(Cc2ccc3c(c2)OCO3)CC1)C(=O)O)Nc1ccccc1 71283375 ZLGGNOVUYKRFSP-GOSISDBHSA-N 425.485 2.263 0 40 IEAB COC(=O)[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)c1ccccc1 72313093 BTAKYGWFVMDNLA-YVEFUNNKSA-N 444.506 2.026 0 40 IEAB COc1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(CN(C)C)cc(N(C)C)n3)C2)c1 72370117 DZVKAYDAGVWCSY-MRXNPFEDSA-N 433.578 2.181 0 40 IEAB CCOCCN(Cc1ccc(C(=O)O)o1)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 95969999 XIJDBELNBRCBCO-IZZDOVSWSA-N 436.486 2.428 0 40 IEAB Cc1cc(C)c2c(c1)[C@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 105347934 UAOHXMBTDCHQGE-IWIKGPNDSA-N 425.529 2.127 0 40 IEAB CSc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1C(=O)N1CCOCC1 224322585 ISFNJXOYIGQARV-UHFFFAOYSA-N 436.555 2.238 0 40 IEAB O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2 225778906 KAIGBWUHIBUSNS-UHFFFAOYSA-N 425.388 2.340 0 40 IEAB COc1ccc(CN2CCc3c(O)nc([C@H]4CCN(C(=O)[C@H]5CCCO5)C4)nc3C2)cc1 247894653 OALOIAZRVIPDJN-LAUBAEHRSA-N 438.528 2.244 0 40 IEAB Cn1c(=O)c2cc(S(=O)(=O)Nc3ccc(Oc4cccnc4)cc3)ccc2n(C)c1=O 252484388 FVCUXTDDCORWTJ-UHFFFAOYSA-N 438.465 2.225 0 40 IEAB Cc1c(C)n(C[C@H](O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc12 257230170 GBDKEXURFSLHNQ-OAHLLOKOSA-N 428.514 2.109 0 40 IEAB Cc1ccc2[nH]nc(C(=O)N3CCN(C)[C@@H](C(=O)NCc4ccc5c(c4)CCCO5)C3)c2c1 257250325 JMBFPSRDBLVVCR-OAQYLSRUSA-N 447.539 2.269 0 40 IEAB O=c1c2c(nc3n1CC1(CCN(Cc4cccnc4)CC1)C3)CCN(Cc1cccnc1)C2 306140842 VFDYXTLBSKYBAL-UHFFFAOYSA-N 442.567 2.430 0 40 IEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)cc1C 408616224 XQDDOSLFKRNKPI-ROUUACIJSA-N 439.512 2.171 0 40 IEAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCC(N)=O 409199288 CAHYYDCMKWOKOX-PXNMLYILSA-N 436.486 2.185 0 40 IEAB CCn1cc(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCNC3=O)C2)cn1 643557668 YYBQGJVRRICSDM-HSZRJFAPSA-N 426.517 2.036 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(Cc1cccnc1)C2 1549167143 MDPQAOIPHCQEOV-JOCHJYFZSA-N 434.540 2.143 0 40 IEAB COc1cc([C@@H]2C(C(N)=O)=C(C)Nc3nc(-c4ccc(O)cc4)nn32)cc(OC)c1OC 4574530 IQPRHMNERVFULF-GOSISDBHSA-N 437.456 2.451 0 40 IEAB CCCCN(C(=O)CN1CCCc2cc(C)ccc21)c1c(N)n(CCC)c(=O)[nH]c1=O 6832140 HKCBHGSJSIYESG-UHFFFAOYSA-N 427.549 2.423 0 40 IEAB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCC(=O)N1CCCC1 8426022 BSQQKBVVIOOTAJ-DEDYPNTBSA-N 435.505 2.467 0 40 IEAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccc(F)cc4)CC3)N2)cc1 8758264 RMNCFDBCCLXOKZ-HXUWFJFHSA-N 439.491 2.230 0 40 IEAB Cc1cccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)OCc2ccccc2)c1 8994236 AQTWGVDVSKIHID-UHFFFAOYSA-N 433.468 2.229 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2)C1 9445440 OWBMXIOZYUBLHI-ZDUSSCGKSA-N 427.482 2.243 0 40 IEAB COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1nc2ccccc2n1-c1ccccc1 9540023 KQHAPICARRYMCU-GOSISDBHSA-N 438.509 2.008 0 40 IEAB O=C(COC(=O)c1ccc(Br)o1)NCC(=O)Nc1ccc(F)c(F)c1F 10803705 XFHIVJPSEOAKOL-UHFFFAOYSA-N 435.152 2.371 0 40 IEAB COc1ccc(C(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1S(N)(=O)=O 11105640 CQJFHDFGRSNEFI-VIFPVBQESA-N 437.499 2.175 0 40 IEAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)Cn1ncc3ccccc3c1=O)c1ccccc1O2 12086440 DAJOIJFGCUNWOQ-CJFMBICVSA-N 446.507 2.418 0 40 IEAB Cc1ccc(CN(C)C(=O)CN2CC[C@@]3(CCC2=O)CNC(=O)c2ccccc2O3)o1 12086631 VOCADJASDRGVLA-QHCPKHFHSA-N 425.485 2.120 0 40 IEAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C[C@@H](C)O1 12549435 JCUBVOUBMKUTAV-GUDVDZBRSA-N 445.585 2.170 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)cc1 12984716 FCEGVKXBCSIKAE-UHFFFAOYSA-N 433.574 2.393 0 40 IEAB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCCO2 13135882 QQKSXVUSWOGJSB-UHFFFAOYSA-N 438.889 2.384 0 40 IEAB C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCc1ccc(S(N)(=O)=O)cc1 13557412 ZZXDAQLAOBYIGL-ZDUSSCGKSA-N 442.493 2.013 0 40 IEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)ccc1OCC(N)=O 13566033 XEHDGKJOAHRQEA-OQLLNIDSSA-N 436.486 2.327 0 40 IEAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)N(c1ccccc1)S(C)(=O)=O 13711683 UNAGOFBUTKVZCP-SFHVURJKSA-N 448.497 2.443 0 40 IEAB COc1cc(CNC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC 15613828 IMPLCMAKUCCHEP-FATZIPQQSA-N 447.532 2.465 0 40 IEAB CC(=O)Nc1cc2c(cc1NC(=O)Cn1nc(-c3ccc(F)cc3)ccc1=O)OCCO2 15936069 QGYIEXYIPKPNHG-UHFFFAOYSA-N 438.415 2.418 0 40 IEAB Cc1cnccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19239475 IDTBBZLDIFEWER-FQEVSTJZSA-N 444.495 2.044 0 40 IEAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2n[nH]c(=O)[nH]2)C1 19528567 AKJBYTQHBSZPNC-DEOSSOPVSA-N 433.512 2.366 0 40 IEAB C[C@H](CN1CCOCC1)C(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1 19746208 WYQKFBRPLXYSPR-CQSZACIVSA-N 439.438 2.447 0 40 IEAB Cc1nc([C@H]2CCCCN2S(=O)(=O)N2CCOCC2)ncc1C(=O)Nc1ccccc1 19755908 XGCVOTMMRXROPD-LJQANCHMSA-N 445.545 2.141 0 40 IEAB Cc1nc([C@H]2CCCN(Cc3ccc(OCCN4CCCC4=O)cc3)C2)ncc1C(N)=O 19763693 MJRAIGICJVGDGA-IBGZPJMESA-N 437.544 2.265 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=S)NC(C)=O)cc3)CC2)c1 20411691 CKSLPPKXXGKJBD-UHFFFAOYSA-N 442.541 2.499 0 40 IEAB CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 22116590 YNDXUCZADRHECN-UWWNLYLSSA-N 434.504 2.419 0 40 IEAB CCCNC(=O)Cn1c(=O)/c(=C\c2c(F)cccc2Cl)s/c1=C\C(=O)C(C)(C)C 32666028 DCQNUCDJHIVNKL-LXZKJKIUSA-N 438.952 2.453 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1C 32908693 VOKVRXLCIRVLRZ-KRWDZBQOSA-N 435.590 2.104 0 40 IEAB COc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1OC 32909763 OASNUVSYMBHXIP-KRWDZBQOSA-N 447.532 2.388 0 40 IEAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)O[C@@H]1CCCCNC1=O 40025129 JYZJPVMURGNMFC-HXUWFJFHSA-N 444.509 2.272 0 40 IEAB Cc1oc(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc1S(=O)(=O)N1CCCC1 48234842 UQBPZSGTTMMLMQ-IBGZPJMESA-N 447.557 2.176 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)N1CCCc2ccccc21 49410516 UUMDXTZWSJRWOH-UHFFFAOYSA-N 429.542 2.392 0 40 IEAB CCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O 57485862 KKPLYEPJJTZTLD-UHFFFAOYSA-N 430.505 2.123 0 40 IEAB COc1cc(C(=O)N2CCN(C(=O)Nc3cccc(-c4nnnn4C)c3)CC2)ccc1C 58018400 WKGPEZLGCCIRKC-UHFFFAOYSA-N 435.488 2.184 0 40 IEAB C[C@H]1CCCN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 60644457 HTHNSOVUVPUEBW-KRWDZBQOSA-N 425.570 2.465 0 40 IEAB COc1ccc(CCC(=O)NCCn2c(C)nc3cc(OC)c(OC)cc3c2=O)cc1 85878481 FHQWJSBMHJOMHK-UHFFFAOYSA-N 425.485 2.480 0 40 IEAB biogenic CN(C)[C@H](C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1)c1c(F)cccc1F 95455817 YCZYVIYQTAMXAW-IBGZPJMESA-N 442.484 2.440 0 40 IEAB O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 95971979 QDAJQFRMHKQMRA-HNNXBMFYSA-N 435.468 2.401 0 40 IEAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)O)CC1 100777822 OBTZKGKFJMXNSU-WCXIOVBPSA-N 441.569 2.438 0 40 IEAB Cc1cccc(S(=O)(=O)NC2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)c1 101068932 WWMMFWGKCQIGHX-NRFANRHFSA-N 441.553 2.065 0 40 IEAB CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225104081 MBYCGLOUDVXRMN-UHFFFAOYSA-N 425.434 2.379 0 40 IEAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)c2ccccc2CN2CCOCC2)C1 257232256 GJZUULNNCLKBDR-RUZDIDTESA-N 441.547 2.367 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(Br)c1 409269976 MYOMICBNFFOZNM-UHFFFAOYSA-N 441.303 2.260 0 40 IEAB CN(Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 585274214 UQWLBXQOIKGVQV-XMMPIXPASA-N 444.551 2.005 0 40 IEAB Cn1ncnc1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)Nc3ccccc3)C[C@@H]1CO2 1772594515 HRIGNRDCTUTVOI-GOSISDBHSA-N 447.499 2.031 0 40 IEAB Cc1cc(C)n(CC(=O)N2CCO[C@@H](c3cccc(Nc4ncc(C)s4)n3)C2)c(=O)n1 2037834545 OZDUDLJVGINVOH-QGZVFWFLSA-N 440.529 2.364 0 40 IEAB CCCCCCN1C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)OCCCCCCOc2cccc1c2 2037972659 SXMGLGCHGCIQKL-MOUTVQLLSA-N 439.593 2.486 0 40 IEAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C[C@@H](O)c2ccccc2)cc1 720431 OHXRBZNWPNVGFW-LJQANCHMSA-N 445.479 2.096 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C)ccc3C)CC2)cc1 3529829 XPOFUIHXYDXTHG-UHFFFAOYSA-N 430.526 2.302 0 40 IEAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(S(N)(=O)=O)cc1 3534428 QCNGKQRBSKMRTD-AWEZNQCLSA-N 433.505 2.203 0 40 IEAB COC(=O)c1sc(NC(=O)CSc2nncn2-c2ccccn2)c(C(=O)OC)c1C 6177624 MZBRUFKLIUZIRB-UHFFFAOYSA-N 447.498 2.336 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(C(F)(F)F)n1C)n2CC 8720150 SDWAJRHGCCXGPZ-UHFFFAOYSA-N 431.444 2.146 0 40 IEAB Cc1cc(N2CCN(C(=O)CCCN3C(=O)NC4(CCCC4)C3=O)CC2)nc(C(C)C)n1 8777455 MNTJEZCSIXISLB-UHFFFAOYSA-N 442.564 2.202 0 40 IEAB CCOC(=O)CN(C(=O)CSc1nnc(-c2ccccc2)n1N)c1ccc(F)cc1 8825631 SNKMDAQGFYUNPB-UHFFFAOYSA-N 429.477 2.486 0 40 IEAB O=C(COc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1)Nc1ccccc1 9234146 CTBRIAAIRCIWAB-DYESRHJHSA-N 437.496 2.352 0 40 IEAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2cccs2)CC1 9461505 VRYQUNCAPSMSCG-FNORWQNLSA-N 434.539 2.456 0 40 IEAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)N[C@@H]1CCCc2ccccc21 9548573 BISPGYQRCIFOIX-RHSMWYFYSA-N 434.587 2.078 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O 9589471 QAFUOASPGLAKOH-FQEVSTJZSA-N 435.358 2.281 0 40 IEAB Cc1ccccc1Nc1nc(N)nc(COC(=O)Cc2nn(C)c(=O)c3ccccc23)n1 9669484 ZUGXFAIFNPFHRC-UHFFFAOYSA-N 431.456 2.039 0 40 IEAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OS(=O)(=O)c1c(C)noc1C 9761746 JLHOUZSLEBGJPO-UHFFFAOYSA-N 433.442 2.090 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(OC)c(Cl)c4)[C@H]3C2=O)cc1 10272387 JEAMLODEPAPNNB-QZTJIDSGSA-N 443.847 2.289 0 40 IEAB COc1ccc(-c2nnc3ccc(OCCNC(=O)c4ccc5c(c4)OCO5)nn23)cc1 11693886 WTSNNOBXFSQSMR-UHFFFAOYSA-N 433.424 2.337 0 40 IEAB Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)N(C)CCc1ccncc1 11907628 FPQFASKDQGLHFZ-UHFFFAOYSA-N 437.587 2.492 0 40 IEAB CCCn1c(N)c(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c(=O)[nH]c1=O 12916654 LXDSVKPMAJVKFK-UHFFFAOYSA-N 426.458 2.035 0 40 IEAB COc1cc(C)c(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1OC 14068299 RDUFPYKRIHGSRE-UHFFFAOYSA-N 448.541 2.290 0 40 IEAB O=S(=O)(Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 16090863 OAEGRNYULYJDQW-UHFFFAOYSA-N 434.583 2.402 0 40 IEAB CC(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)COc4ccccc4)nn3c(O)c2C1 19017937 DKJRQAXIUUQCMS-OAQYLSRUSA-N 449.511 2.472 0 40 IEAB O=C(N[C@H]1CCCOC1)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19372424 PDBRVCYQDJUKQX-FQEVSTJZSA-N 432.524 2.364 0 40 IEAB NC(=O)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)CC1 19372500 WSCWEUWMNULPQI-FGZHOGPDSA-N 437.515 2.481 0 40 IEAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2C(=O)CCCN2C(=O)CNC2=O)n1 19690154 SHUKUFOWSBROIP-GOSISDBHSA-N 436.516 2.205 0 40 IEAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCCN4CCOCC4)ccc23)cc1 20533601 PFBPLCVFGFJWHV-UHFFFAOYSA-N 438.480 2.296 0 40 IEAB biogenic COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 20762660 SUBBBFBYXBEEFD-KSSFIOAISA-N 432.502 2.090 0 40 IEAB biogenic Cc1cc(F)ccc1S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(C)CC1 22798284 CXGCRXPPNYUYDB-GOSISDBHSA-N 435.521 2.130 0 40 IEAB COc1cc(NC(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)cc(OC)c1 23135214 VGYZGPGKWZYENE-UHFFFAOYSA-N 441.467 2.168 0 40 IEAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24569060 NSKGDPZAKDWABL-CYBMUJFWSA-N 429.860 2.485 0 40 IEAB COc1ccc(CC(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OC 25779262 WBNYUMCBMGKNLW-UHFFFAOYSA-N 432.542 2.478 0 40 IEAB C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@@H]2C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 34884296 YKWRDYVUZFAUST-ZNMIVQPWSA-N 446.525 2.123 0 40 IEAB NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCCN4C4CCOCC4)n3)ccn2)CC1 35424718 UCOHFLDZNPAEOD-SFHVURJKSA-N 426.521 2.149 0 40 IEAB biogenic,in-vitro COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1C(=O)CC(C)(C)CC(=O)O 35442245 DZBCIGGDKZQJJI-SFHVURJKSA-N 443.500 2.257 0 40 IEAB biogenic,in-vitro CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2nn(C(C)C)c(=O)c3ccccc23)CC1 40159269 QDYPOKMYTGYISK-HNNXBMFYSA-N 443.500 2.324 0 40 IEAB COc1ccccc1N1CCN(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 56997296 XXKMIDDYJOOTKH-UHFFFAOYSA-N 429.517 2.273 0 40 IEAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)N[C@@H](CO)Cc3ccccc3)n2)c1 71332959 GZUSVNSSVYGLMU-MRXNPFEDSA-N 429.860 2.434 0 40 IEAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(CC(=O)NC(C)(C)C)nc12 72347060 VNMLHSGWPQRZDP-HZPDHXFCSA-N 440.548 2.155 0 40 IEAB Cc1nn(C)c2[nH]c(C(=O)Nc3cccc(S(=O)(=O)N4CCCCCC4)c3)cc(=O)c12 78964322 HBZKFQQTKQYEAV-UHFFFAOYSA-N 443.529 2.387 0 40 IEAB COc1cccc(S(=O)(=O)N2CCC3(CC2)CCn2c(-c4cnn(C)c4)cnc23)c1 96080100 SICIXXFLLYZXGM-UHFFFAOYSA-N 427.530 2.418 0 40 IEAB CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccc4)cn23)CC1 96156008 IIAGVXRSORUIPT-UHFFFAOYSA-N 433.556 2.122 0 40 IEAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccccn2)cc1 97020567 FTTXNKAYNPQIQQ-FQEVSTJZSA-N 441.509 2.379 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21)Nc1ccc2c(c1)OCCO2 101165896 JWZPNJPRPBHIEP-ROUUACIJSA-N 441.831 2.043 0 40 IEAB C[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc2c(c1)OCCO2 222696043 HOOJWBUDLSOTGB-CQSZACIVSA-N 437.493 2.087 0 40 IEAB COCCNS(=O)(=O)Cc1cccc(NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)c1 223239179 VMNWJULTMAHUFB-OAQYLSRUSA-N 431.514 2.274 0 40 IEAB CC[C@H](NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 225291120 SPLNKSROZZVCEO-RBUKOAKNSA-N 438.571 2.290 0 40 IEAB O=C(CCCN1C(=O)CNC1=O)N1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 257221511 DPJLRWRCLGDFJQ-HXUWFJFHSA-N 440.475 2.043 0 40 IEAB COc1ccc(C)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 408713292 RRHBAMFABUXIRY-UHFFFAOYSA-N 431.514 2.043 0 40 IEAB O=C1[C@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(Br)c(Cl)c1 409286446 QANICRGBZKRDKC-ZOPJHEKZSA-N 426.650 2.288 0 40 IEAB COc1ccc(C(=O)CN(CCCCCC(=O)O)[C@H]2CCS(=O)(=O)C2)cc1OC 575423984 QNJHBCKKWVEGER-INIZCTEOSA-N 427.519 2.021 0 40 IEAB COCCn1cnc2c(N3C[C@H]4CN(c5ccc(C(F)(F)F)nc5)C[C@@H]4C3)ncnc21 1888913566 IWXNGJBRUYRSLN-ZIAGYGMSSA-N 433.438 2.459 0 40 IEAB CN=c1[nH]c([C@@H]2CCN(C(=O)CCc3cc4c(cc3OC)CCC4)C2)nc2c1CN(C)CC2 2037769645 OJBAHZYEGNOLFX-HXUWFJFHSA-N 449.599 2.374 0 40 IEAB COC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1-c1ccc(OC)cc1 2724045 VVXOHXYQTRUUSE-UHFFFAOYSA-N 442.497 2.480 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 9056877 VXMGFOJPPGFDJM-HOYKHHGWSA-N 435.480 2.419 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(C)c4C)[C@H]3C2=O)cc1OC 9675635 WTBZTOZGHURYJC-WOJBJXKFSA-N 437.456 2.253 0 40 IEAB O=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)NC[C@@H]1CCCO1 9831313 LLJZHDKRVHAENA-SFHVURJKSA-N 449.486 2.459 0 40 IEAB COCCNC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 11696193 VUUBDLGIHZACNE-CYBMUJFWSA-N 434.543 2.204 0 40 IEAB C[C@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)cc2NC1=O 13002747 SMVXRKRTPOZIBS-CYBMUJFWSA-N 449.529 2.405 0 40 IEAB O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1)NC[C@H]1CCCO1 13501965 BIMCFVPZTYENJQ-QGZVFWFLSA-N 430.530 2.186 0 40 IEAB CCC(C)(C)n1nnnc1[C@@H](c1cc(OC)c(OC)c(OC)c1)N1CCC(C(N)=O)CC1 13504176 PLPQMKQLPIWOOS-GOSISDBHSA-N 446.552 2.131 0 40 IEAB O=C(NCc1cccs1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 17169771 PCTSYLXKWLTAIZ-QGZVFWFLSA-N 436.486 2.428 0 40 IEAB C[C@@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1 17261858 MZIRIJXICFHTBD-GFCCVEGCSA-N 426.441 2.241 0 40 IEAB CNc1nc(C2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)nc2c1CN(C)CC2 19711417 IFLRXEBOLSHMOZ-UHFFFAOYSA-N 445.589 2.392 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1cccc(F)c1 19938140 XOLZCESARHUOBH-RMKNXTFCSA-N 431.533 2.449 0 40 IEAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 22233460 VBCFWNPRLNPLLT-IBGZPJMESA-N 436.505 2.466 0 40 IEAB COc1ccc(N(CC(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)c(OC)c1 22333624 ZGPUUXDJQVDIIB-MRXNPFEDSA-N 436.530 2.362 0 40 IEAB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc(F)cc2)CC1 22795962 ZYELUILOYUSAIG-FQEVSTJZSA-N 432.927 2.200 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)c(C)c1 26544174 KQUUZQDSIKPEKC-UHFFFAOYSA-N 443.525 2.053 0 40 IEAB CCn1cnnc1-c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 32096011 GZCNCXMIPSSLBM-UHFFFAOYSA-N 447.542 2.207 0 40 IEAB COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2Cl)cc1S(N)(=O)=O 32922293 JZDVSIXSXTZJMQ-OAHLLOKOSA-N 425.894 2.202 0 40 IEAB CC[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1 36312408 RNXBAYSQRRPAKN-QGZVFWFLSA-N 443.635 2.402 0 40 IEAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 39972235 CRMPYZSYIBTSFD-NSHDSACASA-N 427.429 2.287 0 40 IEAB O=C(CSc1nnc(-c2ccccc2Br)o1)N[C@H]1CCCCNC1=O 40127368 UQOIZCWOPDAETN-LBPRGKRZSA-N 425.308 2.376 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[nH]c(=O)c32)cc1 40389031 SRDYIHBEOOHXRS-WBMJQRKESA-N 438.488 2.172 0 40 IEAB COc1ccc(CNC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)cc1OC 40478619 RLMKPLVIYJTXAY-UHFFFAOYSA-N 425.485 2.153 0 40 IEAB CCSc1ncc(CN2CCC(O)(Cn3nc(-c4cccs4)oc3=O)CC2)cn1 57773367 DVBKCWCODFSSRE-UHFFFAOYSA-N 433.559 2.494 0 40 IEAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)C1 58161463 JKBVYDORJDJGBU-GFCCVEGCSA-N 446.455 2.079 0 40 IEAB O=C([C@H]1CSCN1C(=O)c1ccccc1)N1CCN(CCOc2ccccc2)CC1 69947038 GCUNGVYWEBQVBV-OAQYLSRUSA-N 425.554 2.425 0 40 IEAB CCCN1CCN(C(=O)CCn2cnnn2)[C@H](Cc2ccccc2-c2ccccc2)C1=O 72351607 YTSPUMNUPVMEFM-JOCHJYFZSA-N 432.528 2.422 0 40 IEAB Cc1cccc(N2CCN(CCCCNC(=O)c3ncc(C(N)=O)cc3Cl)CC2)c1 89672749 AEZYCTNAZDJVNS-UHFFFAOYSA-N 429.952 2.475 0 40 IEAB COC(=O)c1ccc(NCCN2CCOCC2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223413493 FRRZRXJBGYJNPX-UHFFFAOYSA-N 433.530 2.327 0 40 IEAB COc1ccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224274705 NPKGZZABBYLINO-UHFFFAOYSA-N 434.514 2.054 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC[C@H]1COc2ccccc2O1 225255657 RTMUJCXWCOIJKO-HNNXBMFYSA-N 432.498 2.050 0 40 IEAB O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)Nc1cccnc1 252481709 CQUNAADPNBAFKU-UHFFFAOYSA-N 443.507 2.087 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2CCc1ccccc1F 257203719 ARIZFGSUBHIPKF-KRWDZBQOSA-N 448.502 2.419 0 40 IEAB Cn1c(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)cc(=O)n(C)c1=O 257257113 KODHMPYLFRCUPG-INIZCTEOSA-N 428.876 2.294 0 40 IEAB Cc1nonc1CC(=O)N(C)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257266846 MEVHYRAWSDEUTH-FZUYCCLGSA-N 443.544 2.376 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 620672195 OOIXFOWTOVFVHY-YJBOKZPZSA-N 428.986 2.280 0 40 IEAB O=C1C[C@H](c2ccc(NC(=O)c3sccc3S(=O)(=O)C(F)F)cc2)NC(=O)N1 1615610889 QDAKJHMVHIRIBL-SNVBAGLBSA-N 429.426 2.267 0 40 IEAB Cn1c(=O)c2c(nc(NCc3ccco3)n2Cc2cccc(Br)c2)n(C)c1=O 838121 UYURTGZOXJFAOR-UHFFFAOYSA-N 444.289 2.450 0 40 IEAB biogenic CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N 6631640 CXLDFTBCZNBQPP-AWEZNQCLSA-N 447.561 2.169 0 40 IEAB CC(C)CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc(Cl)c2)CC1 8996966 WMRIVUYXVFGFLH-UHFFFAOYSA-N 444.967 2.293 0 40 IEAB O=S1(=O)CC[C@H](N(Cc2ccco2)S(=O)(=O)c2ccc(Br)s2)C1 9336530 FKWFITJYTBDISD-JTQLQIEISA-N 440.362 2.482 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1 9569976 SFFSFJUGPMMXEC-UHFFFAOYSA-N 425.913 2.361 0 40 IEAB Cc1ccc(C)c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 9613401 FUPPZITXKHYTBJ-UHFFFAOYSA-N 432.498 2.120 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1 10327663 IYPGXWSMANWHKJ-UHFFFAOYSA-N 443.525 2.352 0 40 IEAB COC(=O)c1sccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12557236 VNRWLSQKJNXWIC-UHFFFAOYSA-N 430.529 2.120 0 40 IEAB Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 13039353 ACJYIMAVDKUFKG-UHFFFAOYSA-N 446.525 2.108 0 40 IEAB CCCCCC(=O)N[C@H](NC(=S)N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 13879230 HAAWUEZCVQHVIK-GXSJLCMTSA-N 438.830 2.030 0 40 IEAB COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)c3ccccc3)n2C)cc1 13955886 XIXRKKINYJZTHY-KRWDZBQOSA-N 426.498 2.262 0 40 IEAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCC(=O)N1CCCC1 15008914 BSQQKBVVIOOTAJ-MOSHPQCFSA-N 435.505 2.467 0 40 IEAB COc1ccc(-c2cc(C(=O)NCc3cccnc3)n[nH]2)cc1S(=O)(=O)N1CCCC1 15860806 YKXNXJCCFFJLHP-UHFFFAOYSA-N 441.513 2.195 0 40 IEAB Cc1ncc(CN2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)c3ccccc3F)C4)C2)cn1 19287203 DUZOQIWFXSPFPH-KRWDZBQOSA-N 448.502 2.195 0 40 IEAB COc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)cc1OC 19448255 WFVLGALOKATVNI-IBGZPJMESA-N 440.544 2.460 0 40 IEAB COc1ccc([C@@H]2CN(S(C)(=O)=O)[C@H]3CCN(C(=O)c4scnc4C)C[C@H]32)cc1 19562193 WPBPVKAPFJIDMI-BZSNNMDCSA-N 435.571 2.350 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)c3ccc(N)nc3)CCO2)c1 19692695 IMYKYDHIQCYKII-LJQANCHMSA-N 434.500 2.409 0 40 IEAB Cc1nccn1C[C@@H]1CCCN(C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)C1 19750551 HPZGTKLWFWXEOZ-NRFANRHFSA-N 447.539 2.222 0 40 IEAB C[C@@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)C[C@@H](C)O1 20029279 OKELKRWGNXRJSN-IAGOWNOFSA-N 447.539 2.244 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)N(CC(C)C)CC(C)C)CC1 22318641 SFRKWEMMIJXVST-UHFFFAOYSA-N 428.599 2.128 0 40 IEAB O=C(c1ccccc1Cl)N1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 23845191 ZOWQZIQRERENNC-UHFFFAOYSA-N 434.949 2.482 0 40 IEAB CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 24609699 BEXOZUWDYVCUQI-UHFFFAOYSA-N 440.537 2.169 0 40 IEAB CCOC(=O)N1CCN([C@@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)CC1 25436493 FYKHALZNZVSANL-LEWJYISDSA-N 429.542 2.405 0 40 IEAB Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C(C)C 28324185 XCDYDWFRGLBOSP-HSZRJFAPSA-N 442.604 2.296 0 40 IEAB O=C(CN1CCOc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 30594526 HAPJZOSEKPNVJM-UHFFFAOYSA-N 435.933 2.072 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCC(C(=O)Nc3cccc(C)n3)CC2)C1 40154619 HBWCVDOFCQNNBB-PKOBYXMFSA-N 430.549 2.231 0 40 IEAB Cc1cc(C)n(-c2ccnc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)n1 49411629 ZYBMPGPHFBKQJD-UHFFFAOYSA-N 446.559 2.239 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)N3CC(c4nc(-c5ncccn5)no4)C3)n(C)n2)c1 49483029 SIMGDYLGXMFWME-UHFFFAOYSA-N 447.455 2.184 0 40 IEAB COC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 57414569 JEJQWIVVHPSIPS-QFIPXVFZSA-N 442.560 2.427 0 40 IEAB Cc1ccc(Cn2c(=O)c3sccc3n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1C 57426949 UZXAULPYSOHTEP-QGZVFWFLSA-N 427.526 2.185 0 40 IEAB CN(CCS(=O)(=O)CCN(C)Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 57992944 BWWVJIUUWZBRRZ-UHFFFAOYSA-N 448.541 2.123 0 40 IEAB O=C(c1cnccn1)N1CC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1 70841430 JVSTUXBPTAVWOO-UHFFFAOYSA-N 441.535 2.482 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc(-n3ccnc3C)n2)cc1 72378753 JNPSQNQWEHUYPB-IBGZPJMESA-N 426.502 2.455 0 40 IEAB CC1(C)[C@]2(C(=O)N3CCC(c4nnsc4S(C)(=O)=O)CC3)CC[C@@]1(C)C(=O)C2 72392497 QLSWUJKLFDNFJP-RBUKOAKNSA-N 425.576 2.433 0 40 IEAB COCCN1CCN(c2ncc(-c3ccsc3)c(-c3cnc(OC)nc3OC)n2)CC1 72396887 JCBWBFDPFUHDLC-UHFFFAOYSA-N 442.545 2.448 0 40 IEAB Cc1cc(Br)c(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cn1 95442346 URGSXOBIBNVDDA-UHFFFAOYSA-N 428.294 2.091 0 40 IEAB COCCn1/c(=N/C(=O)c2ccc(Cl)cc2)sc2cc(S(N)(=O)=O)ccc21 100872880 WGIHAKOMTMEBRN-JZJYNLBNSA-N 425.919 2.391 0 40 IEAB COc1ccc([C@@H]2CC(c3c(O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)cc1O 101465540 NIQRVOMRICNZMP-ZDUSSCGKSA-N 428.832 2.038 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCO2 108993565 JHSMZDYLKQJULP-SNVBAGLBSA-N 427.276 2.483 0 40 IEAB Cc1n[nH]c(SCCNC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 222676886 QXBPPEFIOMFRGB-UHFFFAOYSA-N 447.542 2.201 0 40 IEAB COC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)CC1 224591957 QGUWAJMXBWCABJ-UHFFFAOYSA-N 444.922 2.018 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257255459 KHNQLMYBHBBIAM-MERUMYRGSA-N 426.517 2.275 0 40 IEAB CCS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCO2 408705246 AJZHESKTMGUJBJ-UHFFFAOYSA-N 449.504 2.059 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCCCO)c(Cl)c1)c1ccccc1 409370292 OIJXVPIDUXRTEJ-AWEZNQCLSA-N 426.922 2.257 0 40 IEAB CC[C@@H](C(=O)N1CCC(NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1)c1ccccc1 519099420 SCJJQQKJRXZVRZ-LJQANCHMSA-N 435.528 2.175 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)CO[C@H](CN2CC[C@@H](C)[C@H](O)C2)C3)c1 585103138 DNERTBHOYFIEJY-VOQZNFBZSA-N 432.561 2.418 0 40 IEAB O=C1CN(S(=O)(=O)c2cccc3nsnc23)CCN1c1ccnc(C(F)(F)F)c1 1775974258 ZHUQPFLCLNUUAH-UHFFFAOYSA-N 443.432 2.143 0 40 IEAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O 4574630 QEZBEOOFSRNPCR-VDZJLULYSA-N 449.548 2.420 0 40 IEAB CC1=NN(Cc2ccc(Br)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C 8706197 BPDPUHXTFSUVJR-LLVKDONJSA-N 431.294 2.153 0 40 IEAB C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)CC1 8790609 XBCIAIFMNHPXTN-KKSFZXQISA-N 440.519 2.078 0 40 IEAB biogenic COc1ccc(CCNC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)cc1 8880312 MJJIOFZVLKCUMW-OAQYLSRUSA-N 438.480 2.218 0 40 IEAB COc1ccc(CN(C)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 9733539 CJQCIRSAOYPYIG-UHFFFAOYSA-N 439.559 2.119 0 40 IEAB CC1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CS(=O)(=O)C3)CC1 10219837 PNLLZOCHDWJMJS-UHFFFAOYSA-N 436.921 2.151 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)COC(=O)c3cnc4ccccc4n3)CC2)c(F)c1 10350996 KSKUMLIPLHKIRL-UHFFFAOYSA-N 436.443 2.477 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)N(C)C4=O)CC2)cc1 11127822 TTYVSYULOKHDIN-UHFFFAOYSA-N 441.509 2.260 0 40 IEAB O=C(OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1)c1cc(Cl)ccn1 11225694 RIYGHKLSXOHZAR-CYBMUJFWSA-N 428.919 2.169 0 40 IEAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(S(N)(=O)=O)cc1 11773863 NDICIQGYBJTYEX-UHFFFAOYSA-N 437.525 2.396 0 40 IEAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C1=O 11859491 HBBGYJMWRVPZDV-UHFFFAOYSA-N 445.516 2.491 0 40 IEAB O=S(=O)(c1ccccc1)N1CCN(Cc2nc3ccc(Cl)cc3n2CCO)CC1 12556904 OLCBOSDZZKUUEH-UHFFFAOYSA-N 434.949 2.189 0 40 IEAB CC(C)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12790405 RFKSSGQHNVOBNG-UHFFFAOYSA-N 432.546 2.287 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)C[C@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O 12903243 MIXFYMUZPCPJMC-MRXNPFEDSA-N 428.489 2.210 0 40 IEAB O=C(NCCc1ccccc1F)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19078531 LIWUJNAHBDPIIG-UHFFFAOYSA-N 449.533 2.089 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)nc2c1CCCN2Cc1ccccn1 19706994 KUGGJPTVCQQTJV-IBGZPJMESA-N 448.571 2.461 0 40 IEAB CC(=O)N1CCC[C@H]1c1nc(CN(C)S(=O)(=O)c2ccc(F)cc2C)cc(N(C)C)n1 19760309 PCWUMWNITQEGRO-SFHVURJKSA-N 449.552 2.494 0 40 IEAB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22512496 QVIASPVJSJROGS-CABCVRRESA-N 434.514 2.498 0 40 IEAB Cc1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cc1S(=O)(=O)N1CCOCC1 23321569 LGSHXXPFRDMUSY-UHFFFAOYSA-N 429.498 2.153 0 40 IEAB CCN1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1 23423233 UNJDGSSBLORCOI-UHFFFAOYSA-N 429.586 2.393 0 40 IEAB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCC2(CC1)OCCO2 28090717 XRCNFRMOHNFHEZ-UHFFFAOYSA-N 428.938 2.494 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1ccc2c(c1)OCO2 29122573 WXMQROQJWDOUCT-MRXNPFEDSA-N 434.499 2.362 0 40 IEAB CCN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 31469065 JMLLLIMNEMHQAK-UHFFFAOYSA-N 436.921 2.125 0 40 IEAB O=C(NCCc1ccco1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 32843808 LBPFFQHXZPJTOG-UHFFFAOYSA-N 447.435 2.437 0 40 IEAB Cc1ccc(NC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OCc2ccccc2)c1 58268986 YQIHKAJMGSUVHJ-GOSISDBHSA-N 445.541 2.389 0 40 IEAB Cc1ccc([C@](O)(CCNC(=O)Cn2cc(Br)ccc2=O)C(F)(F)F)o1 65551184 NGFSVRPTDIKLNC-OAHLLOKOSA-N 437.212 2.469 0 40 IEAB O=C(NCCCN1CCN(c2ncccn2)CC1)Nc1cccc(C(=O)N2CCCC2)c1 69950914 FKFZPZMJAGUZBF-UHFFFAOYSA-N 437.548 2.046 0 40 IEAB O=C1N[C@@]2(COC3(CCN(C(=O)CCn4nnc5ccccc54)CC3)C2)Nc2ccccc21 72325203 WKUPGGQLANRIEN-DEOSSOPVSA-N 446.511 2.155 0 40 IEAB CN(C)S(=O)(=O)N1CCN(C(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)CC1 95472821 TXPCBRRSIVTUKX-SFHVURJKSA-N 438.981 2.266 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21)Nc1ccc(Br)cc1 100033350 FSXUHGWFCJPYNT-HOTGVXAUSA-N 428.246 2.381 0 40 IEAB COC(=O)CSc1nnc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)s1 223324889 ZEJVESRSUYPNMU-SOFGYWHQSA-N 425.488 2.481 0 40 IEAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225686642 RDRZSNDDZNPCOK-LJQANCHMSA-N 445.585 2.437 0 40 IEAB O=C(C[C@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1Oc1ccc(Cl)cc1)N1CCOCC1 257209949 BSNFYTFYCCHEIC-PXNSSMCTSA-N 446.935 2.082 0 40 IEAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(C)C)o3)c2=O)=N1 409040936 VFCXAJAOGOWIKW-MBGNVJMVSA-N 437.521 2.457 0 40 IEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(Cl)c1 409258966 WRJLOAGTLNARHL-UHFFFAOYSA-N 439.921 2.391 0 40 IEAB COCCN(CCOC)S(=O)(=O)N[C@@H]1C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642193635 VVXIBJBNKPESJX-GDNZZTSVSA-N 430.411 2.325 0 40 IEAB O=C(CS(=O)(=O)c1cccc(Br)c1)NC[C@@H](n1cccn1)C(F)(F)F 1557656808 PZZUTZYOVJXPFL-GFCCVEGCSA-N 440.241 2.339 0 40 IEAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N1CCN(CC(=O)N2CCCC2)CC1 8709212 DKBLNUVFOMAAAV-QGZVFWFLSA-N 429.590 2.056 0 40 IEAB CCCc1cc(O)nc(-n2nc(C)cc2NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n1 9038196 QUYHROHAOOVKTB-UHFFFAOYSA-N 447.499 2.408 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1OC 9481862 NCHGEFXICPKDKI-UHFFFAOYSA-N 436.555 2.401 0 40 IEAB CN1C(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2C1=O 9504782 MZSCSIGAPXFJPN-UHFFFAOYSA-N 433.511 2.013 0 40 IEAB CN1CC(=O)N(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)C1=O 9515055 JUJUIIAOIMGSJH-LJQANCHMSA-N 433.512 2.376 0 40 IEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 9613712 OHSFPTRAOQUXRB-UHFFFAOYSA-N 443.529 2.326 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3=NNC(=O)CC3)ccc2OC)cc1 9631481 VRLSEDLTVGHZHZ-UHFFFAOYSA-N 446.485 2.099 0 40 IEAB O=C(NCCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccccc1 9783145 KRUZOMXIUHLNTL-LDADJPATSA-N 442.541 2.343 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCN1C(=O)c1cccs1 9869538 DHFJZSVNBRRBAY-QGZVFWFLSA-N 449.554 2.012 0 40 IEAB O=C(O[C@H](C(=O)NCc1ccco1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 9974362 YOIYPGRFCNTJIU-RBUKOAKNSA-N 437.404 2.432 0 40 IEAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 10708759 WQZXCENUBVFHQK-UHFFFAOYSA-N 425.532 2.007 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)c(C)c1 12553042 MHKRDVSZMVLZIG-UHFFFAOYSA-N 425.514 2.031 0 40 IEAB CC[C@@H](C)N(C(=O)COC(=O)/C=C/c1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 12642948 ZALPMPVEYSKMKG-FKLRVFMWSA-N 439.530 2.074 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCC(=O)c1cccs1 12660105 REIQMTFXNOGVTK-UHFFFAOYSA-N 438.527 2.452 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 12779291 VCEHVRCVTDKLID-UHFFFAOYSA-N 429.542 2.405 0 40 IEAB C[C@H]1Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)cc2NC1=O 13120956 BBOQEHLTPSUFLR-CZUORRHYSA-N 445.497 2.116 0 40 IEAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1Cc2ccccc2C1 13732987 DNBSAYANKVTUBK-UHFFFAOYSA-N 445.523 2.189 0 40 IEAB COC(=O)c1cc(CNC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)ccc1OC 18060286 JGWUCGVPTWFDAF-INIZCTEOSA-N 426.469 2.468 0 40 IEAB CC(C)CC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699671 OLISDILBUQAHJA-IBGZPJMESA-N 440.544 2.250 0 40 IEAB CN1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)c3c4c(nn3C)CCCC4)nc2)CC1 19708501 BCVKSWJTNBATND-NRFANRHFSA-N 436.560 2.059 0 40 IEAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCN2C(=O)CN2CCCC2=O)nc1C 19755418 ROQDJMAUQNNUOS-SFHVURJKSA-N 437.500 2.332 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@H]1c1ncc(C(=O)NCc2ccc(F)cc2)c(C)n1 19764404 ZLFREXAJFUXTTQ-IBGZPJMESA-N 427.480 2.044 0 40 IEAB Cc1cc(C(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1Cc1ccc(F)cc1 22920139 YPEAQULAOKYASP-NRFANRHFSA-N 447.576 2.280 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 22962859 NEUBPJYCFFOXSL-IBGZPJMESA-N 432.542 2.139 0 40 IEAB COc1ccc([C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2nccn2C)cc1 24773334 HBFWQIIHKFZFFH-KSFYIVLOSA-N 448.479 2.416 0 40 IEAB O=C(c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCC[C@H](N2CCNC2=O)C1 48324491 RUCVKMUSEJAOAM-SFHVURJKSA-N 446.504 2.256 0 40 IEAB COc1ccc(CCNC(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)cc1OC 57507211 FQWJGWXKBVVJNZ-UHFFFAOYSA-N 448.483 2.011 0 40 IEAB CCOC(=O)N1CCN(c2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(N)n2)CC1 65134399 MJRNMGRQVCPPAI-UHFFFAOYSA-N 433.534 2.294 0 40 IEAB O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)Nc1ccc2c(c1)OCCO2 71328288 KPJSQFHDTNJWFX-UHFFFAOYSA-N 433.424 2.473 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)c1 89904913 XQOQCLSXIVOGDG-YASQENCXSA-N 439.511 2.037 0 40 IEAB COc1ccc2[nH]cc(CCNC(=O)C[C@@H]3NC(=O)N(CCc4ccccc4)C3=O)c2c1 96116077 VIJLFKWHLGGNDE-NRFANRHFSA-N 434.496 2.388 0 40 IEAB biogenic CCOCCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(S(N)(=O)=O)ccc21 100873654 QIQABHLJXMHYLG-PYCFMQQDSA-N 441.481 2.406 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 215725743 CUBYILKWDYWQQO-QFIPXVFZSA-N 435.480 2.269 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(-n3ccnc3)cc2)Oc2ccccc21 216290974 LUSMXQJWUOTTMW-FQEVSTJZSA-N 426.498 2.106 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 222622865 QTEPDEQWWAGEKD-OAHLLOKOSA-N 425.460 2.365 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccc3c(c1)sc(=O)n3C)O2 225054189 CUYIAMJOOJXHBO-INIZCTEOSA-N 433.511 2.074 0 40 IEAB CNc1nc([C@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CCN(C(C)=O)C2 257279007 OEOGXXSCIQRAIC-KRWDZBQOSA-N 443.573 2.218 0 40 IEAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)OC)c(OCC)c2)C1=O 409214985 YZSBLKMDMMRLRY-YBEGLDIGSA-N 436.486 2.200 0 40 IEAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(Cc3nc4ccccc4c(=O)n3C)C2)cc1 507629835 YZDPEUPYWPKHNC-SFHVURJKSA-N 440.569 2.432 0 40 IEAB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](Cc1ccc(Cl)cc1)C(=O)O 547551264 NITWULNNOMWVPN-GFCCVEGCSA-N 428.850 2.479 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCC2)C12CCN(S(=O)(=O)C(C)C)CC2 1549166104 AEOLTUXDKZMPFX-FQEVSTJZSA-N 447.601 2.440 0 40 IEAB Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)COc1ccc(CO)cc1 1636443738 RYQCAOWYWRTHSX-GOSISDBHSA-N 430.505 2.112 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(S(=O)(=O)c4ccccc4F)CC3)n2)n1 1775969866 PHQZCSNHBJSAMS-UHFFFAOYSA-N 431.493 2.211 0 40 IEAB COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(OC)cc2)C1 4259067 URAGIBXYVSCKMS-JKSUJKDBSA-N 440.500 2.483 0 40 IEAB biogenic,in-vitro CCOC(=O)Cc1csc(N[C@](NC(=O)OCC)(C(=O)OCC)C(F)(F)F)n1 5831362 WSMPTSPAEYFOPF-AWEZNQCLSA-N 427.401 2.228 0 40 IEAB COCCNC(=S)N(Cc1cccnc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O 6136228 VXQPNNXCWAYDKU-UHFFFAOYSA-N 442.541 2.463 0 40 IEAB C[C@H]1Sc2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2NC1=O 9284564 FEPAZMSXDONJIM-CYBMUJFWSA-N 447.538 2.393 0 40 IEAB COc1ccc(-n2c(C)cn3c4c(=O)n([C@@H](C)C(C)=O)c(=O)n(C)c4nc23)cc1Cl 9297121 CEXDHOKHMNSHFA-NSHDSACASA-N 429.864 2.259 0 40 IEAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(Cl)cc1 9316238 VHVXTUSWHDLUTM-UHFFFAOYSA-N 449.838 2.133 0 40 IEAB Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cn(C)c(=O)n(C)c4=O)cc3)sc2c1 9489599 BGZVLJYXUNNOKR-UHFFFAOYSA-N 442.522 2.470 0 40 IEAB O=C(CSc1nnc(CNC(=O)c2cccc(C(F)(F)F)c2)o1)NC[C@@H]1CCCO1 9518611 DIHAOKFZMJQRAG-ZDUSSCGKSA-N 444.435 2.406 0 40 IEAB COC(=O)c1ccc(CNC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 9579852 ZWKZJWFMILSDCO-JXMROGBWSA-N 443.452 2.372 0 40 IEAB O=C(COc1ccc(Cl)cc1)NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21 9822547 AFNJCFBYTWFIQD-UHFFFAOYSA-N 437.887 2.490 0 40 IEAB CCc1ccc(CN(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 10022351 KSMMMVBIVZJINJ-UHFFFAOYSA-N 431.558 2.340 0 40 IEAB COC(=O)c1ccc([C@@H]2c3c(-c4ccc(OC)cc4)nnc(O)c3Nc3nnnn32)cc1 10295540 QJRKRXOBFRTNIJ-GOSISDBHSA-N 431.412 2.326 0 40 IEAB O=C1NC(=O)c2c(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cccc21 11122104 GLKGNNGISMZFRN-UHFFFAOYSA-N 447.900 2.263 0 40 IEAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)CCN2C(=O)CSC2=O)CC1 12254682 WHHFGFIPROGEAM-UHFFFAOYSA-N 426.498 2.125 0 40 IEAB O=C(NCc1ccccc1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 12642389 FBEYRBZCIYJZCO-XGVVWFOMSA-N 449.551 2.065 0 40 IEAB CCOc1ccccc1OC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 12920316 FYQRNBNVAASMLF-UHFFFAOYSA-N 435.498 2.263 0 40 IEAB O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(I)cc1 13009476 GUVBXVVVIYHORH-UHFFFAOYSA-N 435.225 2.495 0 40 IEAB Cc1cc(N2CCN(C(=O)CCn3nc(O)c4ccccc4c3=O)CC2)nc(C(C)C)n1 16103512 FMHVXMZRGGIMBP-UHFFFAOYSA-N 436.516 2.063 0 40 IEAB O=c1nc2s/c(=C\c3ccccc3Br)c(=O)n2nc1Cc1ccccc1 16732751 GXFFQKXJSAACDE-WJDWOHSUSA-N 426.295 2.412 0 40 IEAB O=C(CSC1=NCCS1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 18169350 OLPUFJUPFCPNMG-UHFFFAOYSA-N 439.628 2.234 0 40 IEAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C)CC3)c(=O)[nH]c12 19236466 RNCVKXUHVTVXPN-JOCHJYFZSA-N 447.518 2.347 0 40 IEAB CC(=O)N1CCC[C@H](c2nc(CN(C)S(=O)(=O)Cc3ccccc3)cc(N(C)C)n2)C1 19709736 XBQPGRZWOOETQY-IBGZPJMESA-N 445.589 2.230 0 40 IEAB CCc1ccccc1NC(=O)CN1CCN(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1 23248922 RMWXRZAIRPWCJL-KOSHJBKYSA-N 441.576 2.263 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)cc1 23703279 CXWPDVRKNXKUME-UHFFFAOYSA-N 448.589 2.150 0 40 IEAB O=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 28050594 CFUGABHAXRRJBG-UHFFFAOYSA-N 434.562 2.162 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 33613959 ZHUYSLMYVWAEIM-UHFFFAOYSA-N 429.436 2.366 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)c1 48355352 AFTQWJSSKQKFBL-CQSZACIVSA-N 427.457 2.472 0 40 IEAB O=C1CN(Cc2ccco2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 55408305 DJTKWKQPOGSIMV-JKSUJKDBSA-N 425.304 2.057 0 40 IEAB CN(C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)c1ccccc1 72329695 MZCPTWPQFKEWTK-UHFFFAOYSA-N 433.424 2.455 0 40 IEAB O=C(NCc1ccncc1)C1=NO[C@]2(CCCN(C(=O)NCc3cccc(F)c3)C2)C1 96225299 MUVRMVVOSHIZII-JOCHJYFZSA-N 425.464 2.358 0 40 IEAB O=C(O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100320992 BLQNOXBKIODJEG-JEPLQSSLSA-N 444.443 2.008 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncccc3Br)C2)cc1 238885435 PXXFFMMPBZQZGL-CYBMUJFWSA-N 441.303 2.473 0 40 IEAB O=C(CCc1cc(Br)ccc1OC(F)F)N1CC[C@H](N2C(=O)CNC2=O)C1 575604778 AXNQSUWPQZMMOH-LBPRGKRZSA-N 446.248 2.136 0 40 IEAB Cn1cc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)NC4CCCC4)C[C@H]2CO3)cn1 1772594504 GUSKFJVDCFBJGX-IBGZPJMESA-N 438.532 2.056 0 40 IEAB O=S(=O)(c1ccccc1)N1CCCN(c2ccc3nnc(-c4ccncc4)n3n2)CC1 1775974609 XOSMLYWDEXYPTI-UHFFFAOYSA-N 435.513 2.087 0 40 IEAB COCCn1nccc1C(=O)N1CC[C@H]2C[C@H](CN3CCC4(CC3)CC(F)C4)O[C@H]2C1 2056226350 PPWLITSAIDGFPE-DSKINZAPSA-N 434.556 2.363 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 931260 CUESSKFYEWTHRR-UHFFFAOYSA-N 437.587 2.228 0 40 IEAB Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1 1363849 RBTDIQKRUUOYLZ-MRXNPFEDSA-N 426.502 2.010 0 40 IEAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C(N)=O)CC2)c1 3356258 AOUSOHMKZZSYOT-UHFFFAOYSA-N 449.960 2.498 0 40 IEAB NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 3482512 DZBHIDQSTTZDMH-UHFFFAOYSA-N 443.415 2.382 0 40 IEAB CC(C)C[C@@H](NC(=O)C1CCC(CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 8790221 KPZYKZKTIXZRHP-RDHHWEPZSA-N 441.569 2.438 0 40 IEAB biogenic C[C@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C(=O)Nc1nccs1 8992338 SAJNQECJZKPJBE-ZDUSSCGKSA-N 426.502 2.119 0 40 IEAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 8995816 CGFFKYWHDCYYEY-AWEZNQCLSA-N 444.509 2.129 0 40 IEAB COc1cc([C@@H]2C/C(=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)NN2)ccc1O 9317415 POZDTHRPFONZSE-FSLWVPIDSA-N 428.832 2.130 0 40 IEAB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 9320629 JSLUOVFOJJMTGM-CGXNFDGLSA-N 431.448 2.301 0 40 IEAB O=C(O[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1)C1CC1 9509334 JYFIANZTQFFGTR-HXUWFJFHSA-N 444.509 2.341 0 40 IEAB NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 9668658 TUXPHIXZBZORTP-UHFFFAOYSA-N 439.493 2.282 0 40 IEAB Cc1cc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC2CCCC2)ccc1F 9748093 TUXAMPNVWLCRLL-KRWDZBQOSA-N 439.553 2.242 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCCn2c(C)nc3ccccc32)cc1 10737119 KIGPKSRNKROAHE-UHFFFAOYSA-N 430.530 2.228 0 40 IEAB COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1S(=O)(=O)N(C)C 10790986 QYBLTFNGQPFUHD-AWEZNQCLSA-N 432.498 2.080 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 12296899 QZJLAZRTFVNMFE-SIKLNZKXSA-N 449.617 2.477 0 40 IEAB biogenic CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Br)s2)c1 12525792 LIDPMQBVLZFKSB-UHFFFAOYSA-N 441.350 2.267 0 40 IEAB COc1ccc(Cl)cc1-c1nc(SCC(=O)NCCN2C(=O)CSC2=O)n[nH]1 12733337 ZUBGHGXEACKPST-UHFFFAOYSA-N 441.922 2.037 0 40 IEAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)cc1F 12997802 YHEFUVVWCIVPPM-UKRRQHHQSA-N 435.525 2.442 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1 13131899 POQGNKXGPGGMAK-GOSISDBHSA-N 443.569 2.243 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O 14198303 TUEUCYGPDYGKAE-DEOSSOPVSA-N 433.464 2.498 0 40 IEAB COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc2c1OCCO2 17360557 XSQXIBGHIPREJH-UHFFFAOYSA-N 434.470 2.209 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3cnc4ccccc4n3)c(=O)n2[C@H]1c1ccccc1 18197016 LWJQELRPMOIPCL-SRKIZSPNSA-N 442.500 2.351 0 40 IEAB COc1cc2cc(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)[nH]c2c(OC)c1OC 19287896 HVJATNNUSPJGFI-UHFFFAOYSA-N 428.489 2.366 0 40 IEAB O=C(N[C@@H]1CCCOC1)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19372422 PDBRVCYQDJUKQX-HXUWFJFHSA-N 432.524 2.364 0 40 IEAB Cc1nccn1C[C@@H]1CCCN(C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)C1 19750043 RAZCRQCHVYVPNO-IBGZPJMESA-N 439.560 2.355 0 40 IEAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCCCN1CCOCC1 19943626 LRJOMQXBFNMUMT-UHFFFAOYSA-N 447.557 2.013 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccccc4OC)CC3)CC2=O)cc1 20737761 DMTJCEXLIPWRII-KRWDZBQOSA-N 437.496 2.041 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 25076950 SJQXXJXXLMEDFO-WIXQSORDSA-N 449.507 2.308 0 40 IEAB Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1=O 36685907 UUXVFZJNMUXBKR-QGZVFWFLSA-N 436.512 2.393 0 40 IEAB C[C@@H](NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 40556232 QAQLIGFJYFNGII-PBHICJAKSA-N 434.539 2.399 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)ccn1 48362618 NJGLOZXNYPXEEF-IBGZPJMESA-N 425.514 2.045 0 40 IEAB CCc1ccc(OC)c(S(=O)(=O)NCCN2CCN(c3ccccc3OC)CC2)c1 56997617 JTDVUYMLOLLXAQ-UHFFFAOYSA-N 433.574 2.367 0 40 IEAB COC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@@H]1c1ccccc1 57414260 LKNUFJJVRLIBSY-JOCHJYFZSA-N 436.512 2.298 0 40 IEAB O=C(CNc1cccc(C(=O)N2CCC[C@@H](O)C2)c1)Nc1ccccc1C(=O)NC1CC1 58191924 VJSJULMZVRLGCB-LJQANCHMSA-N 436.512 2.226 0 40 IEAB COC[C@@](C)(NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(F)(F)F 72303350 QQPPKRMXTODTCV-MRXNPFEDSA-N 444.422 2.449 0 40 IEAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)N(C)S(=O)(=O)N1 72335106 WDFGGLUTGXONLF-CABCVRRESA-N 432.333 2.254 0 40 IEAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NS(=O)(=O)CCN2C(=O)CCCC2=O)C1 77100744 CTULPNAGINPWBW-SJORKVTESA-N 437.518 2.005 0 40 IEAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 78752143 FQMYSZIEQBEXJR-NQIIRXRSSA-N 446.567 2.125 0 40 IEAB CC(=O)N1CCN(C(=O)Cc2c(C)nc3c4ccc(Br)cc4nn3c2C)CC1 95475070 LZMBTEQYPGSQEH-UHFFFAOYSA-N 444.333 2.495 0 40 IEAB COc1ccc(OCCN(C)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 102819584 JGDSOGJYINIJIW-HXUWFJFHSA-N 442.512 2.393 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102843521 SUNWHLKKVYMGRC-GASCZTMLSA-N 448.317 2.106 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 223613600 MIVAFYHECFXYMS-UHFFFAOYSA-N 433.442 2.019 0 40 IEAB NCCCOc1ccc(C(=O)NCC2(O)CCN(c3ccnc4ccncc34)CC2)cc1 257297403 RHCXQVYJRFQUSL-UHFFFAOYSA-N 435.528 2.119 0 40 IEAB CCN1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2cc(C)ccc2OC)CC1 408635935 JYORZVYGJVYKPN-UHFFFAOYSA-N 437.606 2.491 0 40 IEAB NC(=O)[C@@H]1CC(c2nc(-c3cccc(N4CCCC4=O)c3)no2)=NN1c1ccc(F)cc1 544967234 XGJUMIWERWJLJD-SFHVURJKSA-N 434.431 2.471 0 40 IEAB CCN1C(=O)[C@@H]2CN(C(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)CCN2C1=O 674456596 QONZASPKIDLDES-KRWDZBQOSA-N 436.497 2.104 0 40 IEAB Cc1nn(C)cc1S(=O)(=O)N1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@@H]2C1 2037843795 JSPMNUIZFBSHJN-RTBURBONSA-N 446.573 2.029 0 40 IEAB COc1cc(C(=O)NCC(=O)OCC(=O)Nc2cc(C)ccc2C)cc(OC)c1OC 1916226 JJXKYOJGVMTZDX-UHFFFAOYSA-N 430.457 2.241 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N 2356396 PRSYXUZKAIVKIN-UHFFFAOYSA-N 430.465 2.496 0 40 IEAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2ccc(C)cc2C)c(=O)c3=O)cc1 8849390 YEYBFNYIZUEUKQ-UHFFFAOYSA-N 435.484 2.211 0 40 IEAB Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccc(OCc3ccccc3)cc2)n(C)c1=O 9191532 JOLYIZFSRUKTJA-UHFFFAOYSA-N 433.468 2.042 0 40 IEAB COCCN(CCOC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1 9506904 LHAFMCPCDGOQJA-UHFFFAOYSA-N 449.529 2.181 0 40 IEAB CCOc1c(CC)cnc2c1c(=O)n(CC(=O)NCc1ccccc1Cl)c(=O)n2C 9571817 HCJGXLPGZFMPRQ-UHFFFAOYSA-N 430.892 2.026 0 40 IEAB O=C(Cn1nnc(-c2cccc(Cl)c2)n1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9728479 OMXXMZHRYJXLRF-GOSISDBHSA-N 445.932 2.209 0 40 IEAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1 10678829 NEUOVUZWEILLEZ-UHFFFAOYSA-N 428.479 2.496 0 40 IEAB CCc1cc(CC)n(-c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C)n1 12232121 OIBRUOWXJDGRFF-UHFFFAOYSA-N 426.908 2.446 0 40 IEAB CCN(CC)CCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 12232983 KGZQJZYMEWVYOB-INIZCTEOSA-N 426.546 2.077 0 40 IEAB COC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2cccc(F)c2)S1(=O)=O 12415921 CDYJSIAHMPGNHK-UHFFFAOYSA-N 435.477 2.004 0 40 IEAB Cc1c(NC(=O)[C@@H](C)N2C(=O)NC3(CCC(C)CC3)C2=O)c(=O)n(-c2ccccc2)n1C 12624610 HFVFVXCCFUZKBG-JNJNIUAWSA-N 439.516 2.312 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 12746211 GKKMALSEDUSTJD-OAQYLSRUSA-N 447.532 2.161 0 40 IEAB O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)NCc1cccc(F)c1 13265896 ASTCSIBHMZUTBA-UHFFFAOYSA-N 448.502 2.245 0 40 IEAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(C)(=O)=O 13566741 LMNGZVKESBDBQT-UHFFFAOYSA-N 436.921 2.244 0 40 IEAB O=C1CN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)C2(CCCCC2)C(=O)N1 14018270 KMZKPDPIEITSFR-UHFFFAOYSA-N 439.541 2.425 0 40 IEAB C[C@H]1Cc2ccccc2N1C(=O)CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14018317 MVZHPRCQQTZKBZ-HNNXBMFYSA-N 433.505 2.236 0 40 IEAB CCCCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 14185218 MBJWFTWJJZTNEV-UHFFFAOYSA-N 436.556 2.144 0 40 IEAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)[C@H](C)NC(=O)c1ccccc1 14244174 RELUYZLZAQLOKO-AWEZNQCLSA-N 438.484 2.107 0 40 IEAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 14245960 VSYKSXOYYYAFLL-UHFFFAOYSA-N 435.933 2.446 0 40 IEAB CSCC[C@@H](NC(N)=O)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 15383409 SBHAXAXEGDFXFC-GFCCVEGCSA-N 439.891 2.192 0 40 IEAB CN(C)CCCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19582354 VAPSEWWPWMQHJV-VXKWHMMOSA-N 436.604 2.360 0 40 IEAB Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1 19939372 VBIXKZDUVILJJD-UHFFFAOYSA-N 430.512 2.429 0 40 IEAB CCOC(=O)C1CCN([C@H](c2cccnc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697855 VQFJVPKEJCIUGO-OAQYLSRUSA-N 429.517 2.268 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)Nc3ccccc3N3CCCC3)CC2)C1 22923967 RHDOXCBGWMLJJS-OYRHEFFESA-N 441.620 2.347 0 40 IEAB O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCCc1ccc2c(c1)OCO2 24073910 VJCLHXBYXUCMMY-UHFFFAOYSA-N 444.431 2.461 0 40 IEAB CCCCNC(=O)N1CCN(c2nc3cc4c(cc3c(=O)n2CCC)OCCO4)CC1 28555925 VEZMOPNMUCHSKV-UHFFFAOYSA-N 429.521 2.209 0 40 IEAB Cc1ccc2nc(NC(=O)C[C@@H]3C(=O)NCCN3S(=O)(=O)c3ccccc3)sc2c1 32096074 MYWTVDDWMJPTAC-MRXNPFEDSA-N 444.538 2.123 0 40 IEAB O=C(CCn1c(=O)oc2ccccc21)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 32810669 CFCCNJRFRNBUEZ-UHFFFAOYSA-N 447.488 2.047 0 40 IEAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](n2cccn2)C1 58291832 VPQFSZUASZIVAE-FUHWJXTLSA-N 429.546 2.344 0 40 IEAB CCSc1ccccc1C(=O)Nc1ccc(-n2nnn(CC(=O)NC3CC3)c2=O)cc1 77100233 TVKHNPUQWUCJBW-UHFFFAOYSA-N 438.513 2.072 0 40 IEAB COc1ccc(OC)c(-n2cc(C(=O)NCCN3CCOCC3)c3ccccc3c2=O)c1 79494248 PVXRWGURIMZFEJ-UHFFFAOYSA-N 437.496 2.070 0 40 IEAB O=C(CN1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)CC1)NCc1ccccc1 96129642 RYHYNZRSPOFIIE-UHFFFAOYSA-N 432.471 2.161 0 40 IEAB CC(C)(C)N1C(=O)[C@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 103517923 WDDYSDDYCOLBBE-GSRZOBFVSA-N 437.471 2.293 0 40 IEAB CCOc1ccc(N([C@H](CC)C(=O)N2CCC(C(=O)OC)CC2)S(C)(=O)=O)cc1 220678119 RMWDEROZFFOXRT-GOSISDBHSA-N 426.535 2.042 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223823085 DJACDWVOSKDPQF-KRWDZBQOSA-N 449.548 2.308 0 40 IEAB Cc1ccc(C)c(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 224008679 KYQJWVREHSTNPY-UHFFFAOYSA-N 432.542 2.442 0 40 IEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 225284784 PBEKBQSRAZWHCU-QGZVFWFLSA-N 446.573 2.240 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3c(OC)cccc3OC)C2)cc1 260731112 CNJDHMUBYYEIND-INIZCTEOSA-N 448.541 2.430 0 40 IEAB CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 408713815 ZKQRFGFIBZIIDC-HNNXBMFYSA-N 433.496 2.416 0 40 IEAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 9319601 SXAWMYQDSKGJHW-MXEMCNAFSA-N 447.422 2.348 0 40 IEAB CC1(C)CC(NC(=O)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)CC(C)(C)N1 9420949 ZSRQGXPIGXCMEX-UHFFFAOYSA-N 437.544 2.376 0 40 IEAB O=C(OCc1cc(=O)n2ccccc2n1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9588738 YVXMGEQLFXTOIQ-UHFFFAOYSA-N 447.900 2.489 0 40 IEAB CCCCn1c(=O)n(CC(=O)NCc2ccc(C)cc2)c(=O)c2c1ncn2Cc1ccco1 9612856 LLQOVFDJLMGSPV-UHFFFAOYSA-N 449.511 2.426 0 40 IEAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)[C@@H]1C 9630844 PMBMZYXQFSHUCP-KONPQCLYSA-N 430.501 2.295 0 40 IEAB NC(=O)c1nn(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c(=O)c2ccccc12 9637826 XTUZAJTWVFBVCL-MRXNPFEDSA-N 433.493 2.469 0 40 IEAB COC(=O)c1sc(NC(=O)COC(=O)c2n[nH]c3ccccc23)c(C(=O)OC)c1C 9664681 TWKIXPJAINCUPQ-UHFFFAOYSA-N 431.426 2.302 0 40 IEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 9667778 ZHHSFQROYPHFRL-ZBFHGGJFSA-N 430.954 2.435 0 40 IEAB COc1cccc(NC(=O)COc2ccc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc2)c1 10787452 ZESXICVDWDTDFH-IBGZPJMESA-N 443.456 2.089 0 40 IEAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)C1=O 11859484 LXJFNOXQZSLABZ-UHFFFAOYSA-N 445.516 2.491 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 12786889 AFRDZWXJLCOAFP-UHFFFAOYSA-N 438.571 2.444 0 40 IEAB CC(C)CNC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 13074058 ZEONEJJQBLAVRS-JTQLQIEISA-N 444.859 2.341 0 40 IEAB CC1CCN(CCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1 13671024 BUAHWQUZWRQPRG-UHFFFAOYSA-N 446.411 2.453 0 40 IEAB CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1N1CCOCC1 15038569 DJUNKDOFEDTHGU-UHFFFAOYSA-N 440.500 2.075 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)c1 16944934 IDRFEYJQRRPRON-UHFFFAOYSA-N 426.516 2.217 0 40 IEAB CCCn1c(=O)n(CC(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 17244826 JVTPNRUINCACLI-HNNXBMFYSA-N 439.468 2.190 0 40 IEAB Cc1cc(C)n(CCNC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)n1 19574232 XHCBNCBGHHZRJL-HOYKHHGWSA-N 438.528 2.421 0 40 IEAB CCN(CC)CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(OC)c2)C1 19692638 CFBUKYSNKQYYBX-HXUWFJFHSA-N 427.549 2.460 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(CC(=O)N2CCCCC2)CCO1 19702803 YBVHBTWJSGZANU-KRWDZBQOSA-N 446.573 2.058 0 40 IEAB Cc1ccc2nc3c(cc(C(=O)NCCN4CCOCC4)n3Cc3ccccc3)c(=O)n2c1 20547367 AHKMCHNUJCMZCM-UHFFFAOYSA-N 445.523 2.068 0 40 IEAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 20744325 GNGPKSJRJWBQQI-UHFFFAOYSA-N 437.905 2.143 0 40 IEAB COc1nn(C)c2nc(C)c(CCC(=O)NC[C@H](CC(C)C)N3CCOCC3)c(C)c12 24824463 SFSGNFVAMSZYOV-SFHVURJKSA-N 431.581 2.389 0 40 IEAB COc1ccc(OC)c(CN2CCN(C(=O)NC[C@H]3COc4ccccc4O3)CC2)c1 32843784 XYIDPAWNHAGWSY-IBGZPJMESA-N 427.501 2.371 0 40 IEAB O=C([C@@H]1CCCO1)N1CCN(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)CC1 36386788 COLFSRHFHTXUKO-GGAORHGYSA-N 435.524 2.477 0 40 IEAB COc1ccc2cnn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2c1OC 40267776 DGRPPADHQWMCOJ-UHFFFAOYSA-N 442.903 2.416 0 40 IEAB COc1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)cc1OC 45970191 KXNHXRGUCSDHOK-UHFFFAOYSA-N 429.502 2.499 0 40 IEAB O=C(Cc1ccsc1)N1CCC[C@]2(C(=O)NCC3CC3)CN(c3ncccn3)C[C@@H]2C1 96083075 WMVAGKVSCQLWGJ-CVDCTZTESA-N 439.585 2.352 0 40 IEAB COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1C 107880373 JLSKZARIODSHFS-UHFFFAOYSA-N 434.514 2.066 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220177744 OGJDLWSPCHGKIE-CVEARBPZSA-N 436.530 2.442 0 40 IEAB COc1cccc(-c2noc(CNC(=O)[C@@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)c1 220490937 LQHZGARIXPMTLV-CYBMUJFWSA-N 448.476 2.355 0 40 IEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2c(OC)cccc2OC)cc1 222658576 ZQSLOKHINUDJIO-OAHLLOKOSA-N 436.530 2.476 0 40 IEAB O=C(c1ccc(OC[C@H]2CCCO2)nc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 244983895 IWDSXTMTJHOHIG-LJQANCHMSA-N 425.485 2.326 0 40 IEAB Cc1cccc(N([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 260890997 WGBUGNDCSCYARI-LJQANCHMSA-N 445.585 2.298 0 40 IEAB Cc1cc(=NC(=O)c2nc(N3CCCC3)ncc2Cl)nc2nc(C(F)(F)F)[nH]n12 611798059 SBLFCFVFNVANHH-UHFFFAOYSA-N 426.790 2.169 0 40 IEAB COCCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(Cl)c(C)c3)CCN2C12CCOCC2 1772595339 NVHLMJKDHXXUNO-GOSISDBHSA-N 436.940 2.162 0 40 IEAB FC(F)(F)c1ccc(N2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)nn1 1888910714 XPNVUDJDLRMACD-CYBMUJFWSA-N 434.426 2.141 0 40 IEAB CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NC1CCCC1 6658672 NPFLXLYQVOPDPA-QAPCUYQASA-N 429.517 2.358 0 40 IEAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 9155354 ZGNFBNQDXHXDTL-PBHICJAKSA-N 434.587 2.330 0 40 IEAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc2c(c1)OCO2 9252804 YOKNIOCPQTVQQN-UHFFFAOYSA-N 431.514 2.270 0 40 IEAB NC(=O)c1cc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc(C(N)=O)c1 9285658 BWDDXTPFFLPKGN-UHFFFAOYSA-N 432.436 2.424 0 40 IEAB COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3cccc(O)c3)n2C)c1 9426855 YRBVEHKKBRHIQD-UHFFFAOYSA-N 427.486 2.441 0 40 IEAB Cc1ccc(C)c(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(F)c(F)c2F)c1 9633833 DNPBZWOEXADKHU-UHFFFAOYSA-N 430.404 2.181 0 40 IEAB Cc1cccc(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)c1 9714119 GDNHJBWKYZYFQW-UHFFFAOYSA-N 430.515 2.332 0 40 IEAB Cn1c(=O)c2c(n(C)c1=O)n1c(-c3ccc(O)cc3)nnc1n2Cc1ccccc1Cl 10969121 KBNQPANVPKQFQD-UHFFFAOYSA-N 436.859 2.156 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H](c3n[nH]c4ncccc34)C2)cc1 12088377 KOUPWIVPNCZBNW-MRXNPFEDSA-N 427.530 2.205 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)CC1 12096182 VQIREOZQNBAZRW-VQIMIIECSA-N 444.528 2.335 0 40 IEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(Cc2ccccc2OC)C[C@@H]1C(=O)N(C)C 12124679 VWNXDDHYGDHXMX-BWKNWUBXSA-N 437.540 2.339 0 40 IEAB O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccccc2O)CC1 12536442 JUFAOADQNMFRAN-UHFFFAOYSA-N 435.571 2.203 0 40 IEAB CN(CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1 12611637 ICAGNJZTWACVBM-UHFFFAOYSA-N 437.949 2.227 0 40 IEAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]12 15957528 MEAVPTKGSWSXIY-XHOYROJHSA-N 433.464 2.039 0 40 IEAB biogenic O=C(Cn1c(S)nnc1-c1cccs1)NCc1ccccc1CN1CCOCC1 18214176 LJKWWEAFAMOLID-UHFFFAOYSA-N 429.571 2.444 0 40 IEAB CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(F)c2)nc2c1CCN(C(C)=O)C2 19707287 YFPAKCQMULWREZ-IBGZPJMESA-N 447.536 2.396 0 40 IEAB COc1ccc([C@H](CC(=O)N2CCN(C)CC2)N(C)S(=O)(=O)c2ccccc2)cc1 19936151 IPIYCOAFTNSGQD-NRFANRHFSA-N 431.558 2.221 0 40 IEAB COc1ccc(CCNC(=O)CCC(=O)NC[C@@H]2COc3ccccc3O2)cc1OC 20726003 VXZHYZJCNDJZMM-QGZVFWFLSA-N 428.485 2.099 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC3(c4ccccc4)CC3)c2)CC1 21557974 ADYHZGNEJNYOLF-UHFFFAOYSA-N 441.553 2.001 0 40 IEAB O=C(NCCCn1ccnc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 22247124 CVKGULNUXUQUSS-FQEVSTJZSA-N 430.505 2.118 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 32806051 QAAFAVQHMGNLQP-UHFFFAOYSA-N 441.553 2.378 0 40 IEAB COc1cc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc(OC)c1OC 34862880 BMSLWHCPGVNOEP-FMKPAKJESA-N 436.505 2.069 0 40 IEAB O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCN(C(=O)[C@H]2CCCO2)CC1 58392799 NIDCHFCEPXVVBB-MRXNPFEDSA-N 438.410 2.141 0 40 IEAB Cn1cnnc1SCCNC(=O)[C@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 62022937 PGWDBOSOBZHVLZ-ZDUSSCGKSA-N 433.563 2.047 0 40 IEAB NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)CN3CCCCCC3)C2)c1 72346136 MJTZVCWNDQYDDH-LJQANCHMSA-N 436.560 2.407 0 40 IEAB C[C@H](CNC(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)CN1CCCC1=O 95946541 CPSALPBTWMLQOH-OAHLLOKOSA-N 433.530 2.052 0 40 IEAB CC(C)(C)CC(=O)N1C[C@@H]2[C@H](C1)c1nc(NCc3cccnc3)ncc1CS2(=O)=O 96252099 YQZTZRBTLIQFJH-DLBZAZTESA-N 429.546 2.143 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2nc(-c3ccc(C)cc3)no2)Oc2ccccc21 218795806 KTOZBWGRVDCUSY-SFHVURJKSA-N 442.497 2.279 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223520128 GPUNLMPLISJILZ-INIZCTEOSA-N 435.521 2.145 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1NS(=O)(=O)c1cc(F)ccc1OC 223692836 UNDHPRLSSFXMNB-UHFFFAOYSA-N 444.506 2.428 0 40 IEAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(=O)(=O)N(C)C)c1 224999437 AYMDIPRKERJPEG-UHFFFAOYSA-N 446.573 2.392 0 40 IEAB Cc1cccc(-c2noc(CN(C)C(=O)CN(Cc3ccccc3)S(C)(=O)=O)n2)c1 225742271 KPGIDUFVKINWFQ-UHFFFAOYSA-N 428.514 2.465 0 40 IEAB Cc1ccnn1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 257330039 XMMYEACJLIFERM-UNMCSNQZSA-N 440.544 2.127 0 40 IEAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 408563639 VZMHXEXUABCSMT-UHFFFAOYSA-N 431.514 2.286 0 40 IEAB COC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 408607667 NPBWUGVPFLTRRO-NSHDSACASA-N 426.878 2.441 0 40 IEAB O=C(COc1ccc(/C=c2/sc3n(c2=O)CCCN=3)cc1)Nc1ccccc1Cl 408884970 WIYNOTMSANAJNA-LDADJPATSA-N 427.913 2.433 0 40 IEAB CN(Cc1ccccc1)C(=O)CNC(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 516262653 RPDNGNYBBCCROX-KRWDZBQOSA-N 439.434 2.403 0 40 IEAB CCOC(=O)[C@H]1CN(Cc2ccco2)C[C@@H]2CN(C(=O)c3ccccc3C)CCN2C1 585108217 XZLSQXMMJHAWFO-VQTJNVASSA-N 425.529 2.410 0 40 IEAB COCCn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)CO1 2056225640 WCGLYZSBZSGLKB-HXUWFJFHSA-N 427.549 2.116 0 40 IEAB O=C(COC(=O)/C=C/c1ccc(Br)o1)NC(=O)[C@H]1COc2ccccc2O1 3348009 BEFLHQNHQITVIX-IZPAUZPXSA-N 436.214 2.081 0 40 IEAB O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)NC[C@H]1CCCO1 3534182 WAAPOPOULWURGZ-QGZVFWFLSA-N 427.888 2.160 0 40 IEAB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc3c(c2)OCO3)n2nc(CCCO)nc2N1 6144561 FRHXMTVIQTZFQE-FQEVSTJZSA-N 434.456 2.254 0 40 IEAB CCN(CC(=O)NCC(=O)Nc1c(C)cccc1C)CC(=O)Nc1ccc(OC)cc1 7904587 MHFIXPBOAQDIBP-UHFFFAOYSA-N 426.517 2.327 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2ccc(NC(=O)c3cccs3)cc2)NC(=O)NC1 8749546 BZNHKMOEORFYAG-UHFFFAOYSA-N 429.454 2.287 0 40 IEAB Cc1ccc(C)c(-n2nnnc2SCC(=O)OCc2cc(=O)n3ccsc3n2)c1 9283723 PUTIRAHMFIULDD-UHFFFAOYSA-N 428.499 2.184 0 40 IEAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cc1 9288775 HHNJEGFZVNNCKV-OAHLLOKOSA-N 431.514 2.375 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 9562318 HUMQSVLJZWJFFA-UHFFFAOYSA-N 429.498 2.342 0 40 IEAB O=C(COC(=O)c1nn(CCO)c(=O)c2ccccc12)Nc1ccc(Cl)c(Cl)c1 9562748 IGJXJHGBALACKI-UHFFFAOYSA-N 436.251 2.491 0 40 IEAB COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 9671963 VGPMUVOVDRIDQL-GJZGRUSLSA-N 434.514 2.262 0 40 IEAB CCOc1cc2c(cc1CNC(=O)CSc1nnnn1-c1ccc(O)cc1)O[C@@H](C)C2 9781243 LSLXVMPXRCZFBU-ZDUSSCGKSA-N 441.513 2.499 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1 11835044 TYQQOELALDOSIX-UHFFFAOYSA-N 444.538 2.292 0 40 IEAB COc1cc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c(OC)cc1Cl 12805921 BBWHIMIEDFHVOM-UHFFFAOYSA-N 436.896 2.157 0 40 IEAB CN(C(=O)COC(=O)CCC1CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12916779 PCFSKIDIECXDTM-UHFFFAOYSA-N 442.516 2.034 0 40 IEAB CNC(=O)C1CCN(C(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)CC1 12935945 LXPXSZOCMNSPDG-UHFFFAOYSA-N 443.475 2.450 0 40 IEAB COc1cccc(/C=C/C(=O)OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 12972768 LAEJBDYOIPYHIC-CTDFXDFQSA-N 443.521 2.468 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCCNC(=O)COc3ccc4c(c3)OCO4)n2)cc1 13800674 VURXSOAHWUXQQY-UHFFFAOYSA-N 437.452 2.233 0 40 IEAB NC(=O)C1(Nc2ccc(F)cc2)CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 18217987 NJKBXANSIAVEND-SFHVURJKSA-N 428.439 2.029 0 40 IEAB COc1ccc(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(N)(=O)=O 18823984 DUUJWDNWQHNWTA-UHFFFAOYSA-N 435.546 2.004 0 40 IEAB CN1c2ncccc2C(=O)N[C@H]1c1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 19590946 QANDMVKUYQOIMH-OAQYLSRUSA-N 440.463 2.378 0 40 IEAB NC(=O)C1CCN(CCC(=O)N2CCO[C@H](c3ccc(-c4ccccc4F)cn3)C2)CC1 19693563 DVVVJOBDPXTHQK-QFIPXVFZSA-N 440.519 2.375 0 40 IEAB CNc1nc([C@@H]2CCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)nc2c1CN(C)CC2 19710465 BQHHKSRTMIYGBD-GOSISDBHSA-N 448.571 2.258 0 40 IEAB O=C1CCCC[C@@H]2[C@H](CCN2C(=O)c2cnc(N3CCOCC3)nc2)N1Cc1ccccc1 19713110 NCXJETQXFKFRCX-YADHBBJMSA-N 449.555 2.499 0 40 IEAB CCCOc1ccc(N(CC(=O)N2CCC(C(=O)OCC)CC2)S(C)(=O)=O)cc1 22390234 ALQQRWZTDYRPQI-UHFFFAOYSA-N 426.535 2.043 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2cc(-c3ccco3)on2)CC1 23907673 HXXGFGHTIHEFGZ-UHFFFAOYSA-N 431.470 2.212 0 40 IEAB O=C(NCCN1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)c1ccco1 32760523 JDBRNGJGWOXECI-UHFFFAOYSA-N 432.329 2.323 0 40 IEAB CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(N4CCOCC4)nc3)no2)CC1 35425257 LVAAVEUHKROKKP-IBGZPJMESA-N 426.521 2.116 0 40 IEAB biogenic,in-vitro O=C(CN1CCN(Cc2nnnn2C2CC2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 40057023 FXWRRDADMAVHEB-UHFFFAOYSA-N 443.861 2.437 0 40 IEAB CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)c2)c1C 40106987 VWOACSYLZDISOY-UHFFFAOYSA-N 428.470 2.257 0 40 IEAB CCOc1ccc(CCNC(=O)CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1OCC 49604850 UIRREUZMJVHLRU-INIZCTEOSA-N 449.573 2.141 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCO)cc1 67335310 CUMJWODUBFKKMH-UHFFFAOYSA-N 433.511 2.358 0 40 IEAB Cc1nc(COc2cccc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCCCC3)c2)cs1 69978812 LXBAHHVOOWUSMN-VQTJNVASSA-N 449.598 2.412 0 40 IEAB CCN(CC)CCN(CC)C(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2 72326576 MDJFBUDALUJUJT-MHECFPHRSA-N 443.592 2.130 0 40 IEAB Cc1cc(C)n(CCCNC(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)n1 72327548 ITTANQMNXAGREF-DEOSSOPVSA-N 438.528 2.423 0 40 IEAB Cc1nc(C2CCN(C(=O)c3ccc(C(N)=O)cc3F)CC2)nc(N2CCOCC2)c1C 72337190 RKGKVLGLSXVDLH-UHFFFAOYSA-N 441.507 2.188 0 40 IEAB COCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)cc(=O)[nH]2)CC1 72399234 MHOGZLMRSSTULE-RTBURBONSA-N 442.560 2.185 0 40 IEAB CN(C)C(=O)Cn1cc(NC(=O)C(=O)Nc2ccccc2SCC(F)(F)F)cn1 79023446 LLRDMOGMLJJWSU-UHFFFAOYSA-N 429.424 2.203 0 40 IEAB CC[C@H](CCO)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 84733384 ATXJRPZANIZPGB-CQSZACIVSA-N 447.488 2.359 0 40 IEAB CCOc1ccc(OCC)c(NC(=O)CN2C(=O)N[C@](CC)(c3cnn(C)c3)C2=O)c1 95439421 QKMXWEWQAJFLMX-OAQYLSRUSA-N 429.477 2.013 0 40 IEAB N=c1c(S(=O)(=O)c2ccc(Cl)cc2)c[nH]c2c(S(=O)(=O)c3ccccc3)cnn12 101411425 WDFHFACAIVITMR-UHFFFAOYSA-N 448.913 2.461 0 40 IEAB C/C=C(\C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C 206549614 VDJHFHXMUKFKET-RIQGJYSHSA-N 430.541 2.332 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222704326 ZWZBGYWZRPZQSB-SFHVURJKSA-N 431.558 2.002 0 40 IEAB CN1CCN([C@H]2CCN(Cc3ccc(C(C)(C)C)cc3OCC(=O)O)CC[C@@H]2O)CC1 257232672 GLWYYESCSVNUGS-SFTDATJTSA-N 433.593 2.020 0 40 IEAB Cc1nn(CC(C)C)cc1S(=O)(=O)N1CC[C@H](c2n[nH]cc2-c2ccnc(N)c2)C1 257242483 ICTHCPBRJHJNNO-INIZCTEOSA-N 429.550 2.393 0 40 IEAB COc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 260813110 PSCQVFFRGFCBBC-CVEARBPZSA-N 436.530 2.442 0 40 IEAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@]45[C@@H]6[C@H]7C(=O)[C@H]4[C@@H]4[C@@H]7C[C@@H]6[C@H]45)CC3)cc2NC1=O 503357393 UGTOIOWXOJUHKP-JZSOEBOHSA-N 446.503 2.154 0 40 IEAB CC(C)CC(=O)NC[C@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1ccccc1)CC3 585110079 FRNPYLLQAHVWSZ-LJQANCHMSA-N 436.556 2.410 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)C1CN(c2ccc3nnc(C4CC4)n3n2)C1 1565520712 IKQRRPPRINUPFG-UHFFFAOYSA-N 448.936 2.173 0 40 IEAB CCOC(=O)C1=NN[C@@]2(c3ccc(Cl)cc3)C(=O)N(c3ccccc3OC)C(=O)[C@H]12 631869 OPVSWHGRCRQCOW-HRAATJIYSA-N 427.844 2.256 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)o2)cc1 928206 GJSIANVTKFCJGA-UHFFFAOYSA-N 428.470 2.415 0 40 IEAB NC(=O)CSC1=N[C@H](c2ccccc2)N2C(SCC(N)=O)=N[C@H](c3ccccc3)N12 2281012 RHLBEVRDYXTMPH-ROUUACIJSA-N 440.554 2.079 0 40 IEAB CNS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)sc2c1 2694828 DIMSGJBWLNDIEL-UHFFFAOYSA-N 444.494 2.110 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1N1CCCC1=O 8862296 ISVRQIBIZKIAKR-UHFFFAOYSA-N 429.498 2.087 0 40 IEAB Cn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccnc1 9126213 FOOIGVJWQXZHHI-UHFFFAOYSA-N 426.458 2.089 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)ccc1Cl 9127593 GNRXXEDXUNZZAF-UHFFFAOYSA-N 445.324 2.417 0 40 IEAB O=C1Cc2cc(S(=O)(=O)NCc3nnc4c(C(F)(F)F)cc(Cl)cn34)ccc2N1 9130031 CPWSXXVAKPOOOK-UHFFFAOYSA-N 445.810 2.375 0 40 IEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)N[C@@H]1CCCc2ccccc21 9452533 LPXQJURPLCWKKR-XAUMDUMWSA-N 449.507 2.467 0 40 IEAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 9988148 NWKDIBPSLASNHQ-UHFFFAOYSA-N 439.516 2.307 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(OC(F)F)cc2)CC1 10094070 USJBLTSHBCWYGK-UHFFFAOYSA-N 429.445 2.430 0 40 IEAB CCOC(=O)C1CCN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)CC1 10256974 VNQRBQJRELSJJO-UHFFFAOYSA-N 439.512 2.248 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCCC2)cc1 12197319 CBVVFDUDBNGOCH-LJQANCHMSA-N 445.541 2.233 0 40 IEAB O=C(c1cn2ccccc2n1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12547902 CSXOJTHFBGTROI-UHFFFAOYSA-N 448.552 2.469 0 40 IEAB Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1F 12786312 NMTPOXKTNCEGDW-UHFFFAOYSA-N 441.475 2.035 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCCCNC(N)=O)CC2)cc1 12905515 GGWHRDXPONKYTL-UHFFFAOYSA-N 438.594 2.046 0 40 IEAB COc1ccccc1CN1CCc2c(nc([C@H]3CCN(C(=O)c4cccnc4)C3)[nH]c2=O)C1 19570692 GKRBWSALCPXPRP-IBGZPJMESA-N 445.523 2.362 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCc3ccccc3)C1)C2=O 19700034 DMUPZVTTZRLUJW-FQEVSTJZSA-N 426.561 2.407 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N(C)Cc1nc([C@@H]2CCCNC2)cc(N(C)C)n1 19710025 GOQBUHOAOGGDES-MRXNPFEDSA-N 433.578 2.147 0 40 IEAB COc1ccc(OCCN2CCN(C(=O)c3cccc(N4C(=O)CCC4=O)c3)CC2)cc1 22130810 VHLASVWRPIANAH-UHFFFAOYSA-N 437.496 2.185 0 40 IEAB CNC(=O)c1nn(CN2CCN(Cc3c(F)cccc3Cl)CC2)c(=O)c2ccccc12 22930529 PMKOPXWLLZYKPK-UHFFFAOYSA-N 443.910 2.324 0 40 IEAB CCOC(=O)C1=C(CSc2nc(O)c3cnn(-c4ccccc4)c3n2)NC(=O)N[C@@H]1C 23845852 XOJXQLHAKSGFOM-LLVKDONJSA-N 440.485 2.132 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cc(=O)oc4cc(O)ccc34)CC2)c1 25024280 HNDCGYHQMSJJBZ-UHFFFAOYSA-N 442.493 2.208 0 40 IEAB O=C(O)[C@H](Cc1cc2ccccc2[nH]1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 30834194 FESZYFZYMGTYTD-IBGZPJMESA-N 427.482 2.269 0 40 IEAB O=C(O)[C@H](c1c[nH]c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc12)N1CCOCC1 36358205 AISBDOYXQQYBGB-CLCXKQKWSA-N 427.457 2.231 0 40 IEAB CN(C)C[C@H](CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)[C@H](O)c1ccccc1 40121722 DOOSHEHHYYYXPI-RBBKRZOGSA-N 440.544 2.192 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCC(C(=O)Nc3cccc(C)n3)CC2)C1 40154618 HBWCVDOFCQNNBB-MJGOQNOKSA-N 430.549 2.231 0 40 IEAB O=C1C[C@H](C(=O)N2CCC[C@H](N3CCNC3=O)C2)CN1Cc1cccc(C(F)(F)F)c1 48286224 WPIVWZKBWUUEBD-RDJZCZTQSA-N 438.450 2.070 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)ccn1 58063376 AMFOYIHCEILKCK-UHFFFAOYSA-N 445.570 2.281 0 40 IEAB COc1ccc(CNC(=O)Cn2cnc3nc(N4CCC[C@H](C)C4)sc3c2=O)cc1 67226265 HZJSZRHOHPHNBE-AWEZNQCLSA-N 427.530 2.414 0 40 IEAB CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(C)s2)CC3)C1=O 96036537 ZJXYCEPOCFJPOP-HXUWFJFHSA-N 425.620 2.153 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323013 MRDAOXJAYMRFQF-IRXDYDNUSA-N 437.521 2.392 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 105547850 RIIDCRVWVZUQIQ-OAHLLOKOSA-N 443.953 2.041 0 40 IEAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206904397 OEHSZUCXIDVFSO-UHFFFAOYSA-N 432.513 2.452 0 40 IEAB Cc1ccccc1-c1noc(CN(C)C(=O)CN(Cc2ccccc2)S(C)(=O)=O)n1 223384254 YVTHTONFRYDFLC-UHFFFAOYSA-N 428.514 2.465 0 40 IEAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCOc1ccccc1)=C2C 224579914 CBNOBMWQJHFFII-UHFFFAOYSA-N 432.498 2.410 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 225948071 SVHFTGFJAYCGAX-VGOFRKELSA-N 444.509 2.171 0 40 IEAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1cccc(OCCN2CCCC2)c1 257327521 XBRCTRNEFKOPDL-DEOSSOPVSA-N 439.560 2.055 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1 408598089 ZQBZSNMFUNXIQV-ZDUSSCGKSA-N 436.486 2.104 0 40 IEAB Cc1nn(C)cc1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643555703 DCZSYLJODRSFNX-DEOSSOPVSA-N 440.544 2.204 0 40 IEAB NC(=O)CCNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1ccncc1 643584823 UMNAUKUIXZZYFI-UHFFFAOYSA-N 437.544 2.387 0 40 IEAB O=S(=O)(c1ccccc1F)N1CC[C@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888921700 NCCURQVOLNJGGD-NSHDSACASA-N 445.398 2.372 0 40 IEAB Cc1cc(N2CCCC2)nc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)n1 1889186316 YZAJKAMIIHNSCS-UHFFFAOYSA-N 433.442 2.168 0 40 IEAB O=C1CCCN1c1ccc(OCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 8745490 IKPKRDCPIPSHBG-HXUWFJFHSA-N 442.537 2.408 0 40 IEAB CNc1snc(C)c1C(=O)OCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC 8775392 SSUDRXREIWAEHZ-OAHLLOKOSA-N 430.486 2.032 0 40 IEAB CSCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)n1c(O)nc2ccccc2c1=O 8995309 HWTSIUCMYWYGMD-ROUUACIJSA-N 441.509 2.208 0 40 IEAB biogenic CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 9109212 XMYXETUGOQCYNJ-VQTJNVASSA-N 448.479 2.180 0 40 IEAB biogenic COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1N=CC=C[C@H]21 9436012 REPIEADIGXFCCK-WTGUMLROSA-N 429.432 2.070 0 40 IEAB Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCCN1c1ccc(Oc2ccccc2)cc1 10271962 PGKHCJIVFJXXIJ-UHFFFAOYSA-N 447.451 2.315 0 40 IEAB Cc1nn(C)cc1C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 12085543 UACXZBXVRVTIEY-NRFANRHFSA-N 429.908 2.329 0 40 IEAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)c(Cl)c1 12532527 ZHWODNQABOLIMF-UHFFFAOYSA-N 434.898 2.301 0 40 IEAB CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCO2 13555749 OZNUFZVLFRCDSS-ROUUACIJSA-N 427.526 2.306 0 40 IEAB COC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O)CCC3 13623439 FFSIXWNJJUOZCX-UHFFFAOYSA-N 447.900 2.179 0 40 IEAB C[C@H](O)CN(C[C@@H](C)O)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 13758810 FHJBPUKUIGLFMP-OKILXGFUSA-N 443.573 2.133 0 40 IEAB O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N1CCN(Cc2ccccc2)CC1 14136578 OYTYVVSYRXIYDM-HSZRJFAPSA-N 438.553 2.176 0 40 IEAB COC(=O)C[C@@H](NC(=O)CNC(=O)c1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1 14137022 QBHJLRJDWZQZIR-GOSISDBHSA-N 428.485 2.471 0 40 IEAB CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(I)cc2)n1 17096753 HYQUPRYLPHWYGZ-UHFFFAOYSA-N 430.275 2.061 0 40 IEAB Cc1cccc(-c2ccc(C[C@]3(C(=O)N(C)C)CN(C(=O)c4n[nH]c(O)n4)CCO3)cc2)c1 19235367 FKMVFXJARZHIPH-XMMPIXPASA-N 449.511 2.028 0 40 IEAB O=C(N1CCc2nc(N3CCOCC3)[nH]c(=O)c2C1)C1(c2cccc(F)c2)CCCC1 19293625 QUPSFMKGJWPYAZ-UHFFFAOYSA-N 426.492 2.142 0 40 IEAB O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(Cc2ccccc2)CC1 20642603 MZYYJMFKFMIHRW-FQEVSTJZSA-N 447.564 2.479 0 40 IEAB CC(=O)N1CCc2cc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)ccc21 22643780 VZIDFYRADYKROC-UHFFFAOYSA-N 430.482 2.169 0 40 IEAB O=C(CN1CCN(Cc2cccc3ccccc23)CC1)NN1C(=O)NC2(CCCCC2)C1=O 22782856 SFSKVSUYXQFTEI-UHFFFAOYSA-N 449.555 2.243 0 40 IEAB CC(C)(C)OC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 22822313 ZYMBIGGZRXMXFX-IBGZPJMESA-N 439.556 2.229 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)C1=O 24641882 LPWTWNVIIJWXCX-QHCPKHFHSA-N 449.442 2.182 0 40 IEAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 25703808 FHHNYLFZGZLPJQ-QWHCGFSZSA-N 432.502 2.095 0 40 IEAB COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2)cc1N1CCCC1=O 30847819 KTVPVPVNSWOSNW-UHFFFAOYSA-N 426.498 2.486 0 40 IEAB CCn1c(CN2CCCC[C@H]2C(N)=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 32664817 ICCZZDCYUMUWIN-IBGZPJMESA-N 433.578 2.071 0 40 IEAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCN(C(=O)c2ccccc2Cl)CC1 36389660 MPVDDFPCAZXCLN-UHFFFAOYSA-N 442.947 2.470 0 40 IEAB CC(=O)c1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)cc1 49409239 PETQDMJCTWOWSJ-UHFFFAOYSA-N 431.514 2.254 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 67197167 RIPWXLUCKSUHFE-UHFFFAOYSA-N 433.420 2.230 0 40 IEAB CNS(=O)(=O)c1ccc(NCCOC)c(NCC(=O)Nc2ccc(F)c(Cl)c2)c1 83882439 BWWJECXZHWBKFO-UHFFFAOYSA-N 444.916 2.496 0 40 IEAB COCCCCNC(=O)C[C@@]1(C(=O)NCCCCOC)CCN(C(=O)OC(C)(C)C)C1 84200007 DYXMMWKHSVMGSQ-QFIPXVFZSA-N 443.585 2.089 0 40 IEAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@]3(C)CCC(=O)N3)CC2)cc1 95456805 SOQYDVXZUVQZRF-VGSWGCGISA-N 435.590 2.482 0 40 IEAB Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 138835467 QKXMSGNAAKKUDY-AWEZNQCLSA-N 429.860 2.324 0 40 IEAB Cc1ccc(-c2noc(CN(C)C(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)cc1 219271214 QDEJOOFVCISZLU-GOSISDBHSA-N 442.497 2.231 0 40 IEAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223988629 AHUXRJDKOKYHSS-LSDHHAIUSA-N 434.514 2.498 0 40 IEAB COC(=O)c1cc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1Cl 224585754 MQCNCSSGJKGILK-UHFFFAOYSA-N 438.933 2.437 0 40 IEAB Cc1ccc(OC[C@@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c(C)c1 257234832 GVGUOVDVZJVZMF-QFIPXVFZSA-N 442.556 2.413 0 40 IEAB CC1(C(=O)N2CCC[C@](C(N)=O)(c3ccccn3)C2)CCN(C(=O)c2ccccc2)CC1 257237072 HFBATUQIKYNARP-RUZDIDTESA-N 434.540 2.370 0 40 IEAB CC(=O)N1CCC(C(=O)N2CCC[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)CC1 257243480 IHEXWAVPZBYLSE-JOCHJYFZSA-N 435.952 2.462 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cc1C 575613843 WLBXFSPNLQWGFF-UHFFFAOYSA-N 443.522 2.012 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3Cc4ccccc4N(C)C3)n(C)c2)C1 1557779738 PZDAHZCPRCEUAO-FUHWJXTLSA-N 430.574 2.237 0 40 IEAB O=S(=O)(NCC1(N2CCOCC2)CCSCC1)c1ccccc1Br 1776008626 KTTDSOIREGWICK-UHFFFAOYSA-N 435.409 2.325 0 40 IEAB C[C@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc2c(c1)OCO2 8745756 YFHAYDSGSQPERL-UGSOOPFHSA-N 434.452 2.237 0 40 IEAB O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 9130388 PRPXVMOCZDCOLJ-QUCCMNQESA-N 433.512 2.472 0 40 IEAB O=C(CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccccc1 9134601 HLCMDDPVFVEILJ-INIZCTEOSA-N 433.505 2.371 0 40 IEAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 9427511 YQZLYYXICFJPBK-UHFFFAOYSA-N 442.541 2.499 0 40 IEAB CCn1c(=O)c(-c2csc(NC[C@@H]3CCCO3)n2)c(N)n(Cc2ccccc2)c1=O 9619375 XWZPYKYUVTVGQU-HNNXBMFYSA-N 427.530 2.375 0 40 IEAB CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(OC)cc4OC)c3n2)cc1 9739281 TWJFBNKHXHICEX-UHFFFAOYSA-N 435.440 2.291 0 40 IEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9821485 PTAXZWRITYVQMR-KRWDZBQOSA-N 442.493 2.356 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O 9836351 AXXFTKACQIRPQC-SFHVURJKSA-N 437.587 2.017 0 40 IEAB CCN1C(=O)[C@]2(OCc3ccccc3N2C(=O)CSc2nnnn2C)c2ccccc21 10157818 XFUQYWDNGJGJPF-OAQYLSRUSA-N 436.497 2.085 0 40 IEAB COc1ncccc1[C@@H](Cc1ccsc1)NC(=O)Cc1ccc(S(N)(=O)=O)cc1 12228976 ZEGJUWGWJSPVTG-GOSISDBHSA-N 431.539 2.442 0 40 IEAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccccc1C(F)(F)F 12727830 XZTASNYWYLAJRS-NHYWBVRUSA-N 432.420 2.406 0 40 IEAB COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1 12911648 RYMNQHUZABLPHW-IBGZPJMESA-N 439.965 2.297 0 40 IEAB C[C@H]1CCCC[C@@]12NC(=O)N(CN1CCN(S(=O)(=O)/C=C/c3ccccc3)CC1)C2=O 13062905 ZDDAMJAIBISTMH-GQGHLHHRSA-N 446.573 2.063 0 40 IEAB COC(=O)c1cccc(COC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 14202249 LEQCTBLLUKGZMA-UHFFFAOYSA-N 449.481 2.046 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)cc1 14853713 CKPDKTFZJRIXIA-UHFFFAOYSA-N 427.526 2.269 0 40 IEAB COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 17741042 XMCWSRLRJFCOPN-KRWDZBQOSA-N 439.434 2.449 0 40 IEAB COc1ccc(C(=O)N2CCC(N[C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)CC2)cc1 18217996 OQQPBVTXSDJVLN-NRFANRHFSA-N 437.496 2.230 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)cc1 19448431 XBNRFFQUUJGMLB-IBGZPJMESA-N 432.546 2.071 0 40 IEAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@H]2CCN(CC(=O)N3CCCCC3)C2)n1 19694740 MQKKTYYZNJEHRD-IBGZPJMESA-N 436.560 2.110 0 40 IEAB CCc1cc(C(=O)N(C)Cc2ccc([C@H]3CN(C(C)=O)C[C@@H]3C(=O)N(C)C)cc2)on1 19698803 GEWIAWAFXYURMN-UXHICEINSA-N 426.517 2.159 0 40 IEAB CN(C)C(=O)c1[nH]c(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)nc1-c1ccccc1 19698852 XJKYOIBSAQUYHT-UHFFFAOYSA-N 442.545 2.080 0 40 IEAB CC[C@@H]1CCCCN1CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 19701059 DMDNNLHHQRCVAP-LJQANCHMSA-N 436.560 2.138 0 40 IEAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)ncc1C(=O)N1CCOCC1 19751840 FCZJDDAREUDWOI-IBGZPJMESA-N 448.520 2.312 0 40 IEAB Cc1ccccc1OC[C@H](O)CN1CCN(C[C@@H](O)COc2ccccc2C)[C@@H](C)C1 22924133 FAGWHYGBKPHGSL-YTFSRNRJSA-N 428.573 2.489 0 40 IEAB COC(=O)c1sccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(C)cc2)CC1 29059960 VAYQYQXAUJODET-UHFFFAOYSA-N 430.530 2.038 0 40 IEAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)COC(=O)c1ccccc1S(C)(=O)=O 32745309 UGWKLKGIIZUODL-UHFFFAOYSA-N 435.498 2.313 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)Cc3ccc(OC)cc3OC)C2=O)cc1 39570446 HNGZSYQUSZWFKK-HSZRJFAPSA-N 441.484 2.138 0 40 IEAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)[C@@H](Cc1ccccc1)NC(N)=O 40069453 OAKXLAIRFMSBNZ-QGZVFWFLSA-N 436.434 2.217 0 40 IEAB COC(=O)c1cc(NC(=O)C[C@H]2C(=O)OCCN2Cc2ccccc2)cc(C(=O)OC)c1 54253742 FRWIWGRDVFALCW-IBGZPJMESA-N 440.452 2.016 0 40 IEAB Cc1cc(C)n2nc(CCCOC(=O)[C@H](NS(=O)(=O)c3ccccc3)C(C)C)nc2n1 79052230 RXCWUGJQJSOLMI-LJQANCHMSA-N 445.545 2.220 0 40 IEAB CC(C)(NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1noc(C(N)=O)n1 79109677 OPNWBZWPGZTTCZ-UHFFFAOYSA-N 434.456 2.149 0 40 IEAB CC1=C[C@@H]2C(=O)NC(CSCC(=O)Nc3ccc(Cn4cncn4)cc3)=N[C@H]2S1 94992941 ZSYDHKUBHCTZGJ-BEFAXECRSA-N 428.543 2.119 0 40 IEAB COCC(=O)N1CCc2c(nc3cc([C@H]4CCCN4Cc4ccc(F)cc4)nn3c2O)C1 100234433 NANCNMWNDBBTBH-HXUWFJFHSA-N 439.491 2.442 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@H]1[C@H]3Sc2[nH]c(=O)sc2[C@H]1c1cccs1 100912663 DVRQTSNAVXBUAN-CHARXIPWSA-N 448.547 2.056 0 40 IEAB O=C(NCCSc1ncn[nH]1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 222552590 YITKSOULDJSFFV-QGZVFWFLSA-N 445.570 2.267 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 223885948 FASXICNEAUJNBR-UHFFFAOYSA-N 426.878 2.030 0 40 IEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1 224520254 RAYADMJKHVJGQO-UHFFFAOYSA-N 427.527 2.173 0 40 IEAB COc1ccc(C=c2sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)cc1 254310550 VOOSPTOSAYMWNY-UHFFFAOYSA-N 425.466 2.400 0 40 IEAB C[C@@H]1COc2ccccc2CCCCC2(CCN(C(=O)CN3CCOCC3)CC2)C(=O)N1 643571671 OPFBLZVKXYBIQZ-HXUWFJFHSA-N 443.588 2.238 0 40 IEAB Cc1ccccc1CN(c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1)S(C)(=O)=O 639736 RVPLVZMVDKLBFZ-UHFFFAOYSA-N 429.542 2.299 0 40 IEAB CCOC(=O)C1CCN(C(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1 784325 XSXYCAOQBCLLFB-UHFFFAOYSA-N 447.351 2.017 0 40 IEAB CCn1c(SCC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)nnc1-c1ccco1 3407385 WCXLTGYTPJHNRB-HXUWFJFHSA-N 440.485 2.149 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c(=O)n(C)c1=O 3443777 CUUAAYSLWXKQTE-LBPRGKRZSA-N 433.530 2.011 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(C(C)(C)C)n4)CO[C@H]23)cc1 5433902 OGHLJQHYXKLWIJ-RNIPGJKVSA-N 432.546 2.008 0 40 IEAB biogenic,in-vitro CC(=O)Oc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc(OC(C)=O)c1OC(C)=O 8705223 DBCIRKZKCUTUSR-UHFFFAOYSA-N 447.371 2.397 0 40 IEAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12)NCc1ccccc1 9519652 QGRUISHIIJEGOF-UHFFFAOYSA-N 439.537 2.354 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3c(C)cccc3C)C2=O)cc1OC 9675616 OIARBKWZGGVYJN-UXHICEINSA-N 437.456 2.253 0 40 IEAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)Cc1n[nH]c(=O)c2ccccc12 9986596 JMQQTBILRHNSQO-UHFFFAOYSA-N 425.470 2.252 0 40 IEAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)N[C@]1(C)CCS(=O)(=O)C1 11444383 HHPSFLOYBQQMGT-GOSISDBHSA-N 444.868 2.293 0 40 IEAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 12239799 HCHXQGHAOSBCSQ-APWZRJJASA-N 436.560 2.484 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)C[C@@H](C)O1 12533134 CZQHBVTWORVVKJ-GASCZTMLSA-N 432.498 2.143 0 40 IEAB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1c(F)c(F)c(F)c(F)c1F 12624616 PQADRMADWXHCGM-UHFFFAOYSA-N 428.269 2.160 0 40 IEAB CC[C@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 13287473 VELULQHFLLUZCG-BFHYXJOUSA-N 446.953 2.209 0 40 IEAB C[C@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NC[C@H]4CCCO4)c3)cc2NC1=O 13987119 YPCODUKWXZMUGX-CZUORRHYSA-N 445.497 2.116 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC(C)(C)N2CCOCC2)c1 14180316 VEUWSAUHPIQSIE-UHFFFAOYSA-N 431.558 2.352 0 40 IEAB CCCCOC(=O)c1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1 14217143 FTOAREQGSSFJTL-UHFFFAOYSA-N 442.516 2.443 0 40 IEAB O=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1cccc(F)c1 16850515 BEMQYVCCGQWZGF-UHFFFAOYSA-N 435.455 2.452 0 40 IEAB NS(=O)(=O)c1cc(C(=O)OCc2cc3c(cc2Br)OCCO3)cs1 18388651 CJRUWBLEUJZLFL-UHFFFAOYSA-N 434.289 2.286 0 40 IEAB C[C@H](CCc1ccccc1)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 19455803 FSWHJMJUDXHUDM-OSPHWJPCSA-N 435.528 2.083 0 40 IEAB CCn1cc([C@@H](O)CN2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c2ccccc21 19524769 NNGZCLKWRVYTPB-QFIPXVFZSA-N 434.606 2.289 0 40 IEAB COCCN1C[C@@H](c2cc(N(C)C)nc(C3CCN(Cc4cccnc4)CC3)n2)CC1=O 19696481 HOZKWXRBTXFXIB-FQEVSTJZSA-N 438.576 2.280 0 40 IEAB CC[C@H](NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22335452 NPNKSVHDDRGICE-KRWDZBQOSA-N 442.534 2.263 0 40 IEAB CN(c1ccc(OCC(=O)NCCCn2ccnc2)cc1)S(=O)(=O)c1cccs1 23238582 FDDGSCUQNJDQGQ-UHFFFAOYSA-N 434.543 2.355 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccc(C)n3C)c2c1 23574911 FAKMEXMOECEZLC-UHFFFAOYSA-N 430.530 2.136 0 40 IEAB COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 23827121 QMCUGPWJCSQKHO-UHFFFAOYSA-N 429.951 2.355 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(C(=O)N(C)C)cc2)s1 71795987 SNTNIPZKYVTXOV-KRWDZBQOSA-N 435.571 2.228 0 40 IEAB NC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(Br)ccc1I 78879310 MHHYCOMVBFCIML-GZMMTYOYSA-N 437.075 2.438 0 40 IEAB CS[C@H](CO)[C@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 95426677 ITWWBQPHASYBPF-XJKSGUPXSA-N 444.600 2.181 0 40 IEAB CNC(=O)CN1CC2(CCN(Cc3cccs3)CC2)COc2ccccc2S1(=O)=O 96037191 JMMTUEHAEZVTOC-UHFFFAOYSA-N 449.598 2.160 0 40 IEAB O=C1N[C@](Nc2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1CCC1=CN[C@@H]2C=CC=C[C@H]12 101675979 OYISWBUZQIPFQV-XNJGSVPQSA-N 440.813 2.340 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)cc1OC 223658979 FSFDTJORJMKWTG-UHFFFAOYSA-N 442.921 2.318 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223823030 DJACDWVOSKDPQF-QGZVFWFLSA-N 449.548 2.308 0 40 IEAB COc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(I)cc1 226855148 HAFFKZXEEGFSFU-UHFFFAOYSA-N 432.239 2.200 0 40 IEAB CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@@H](Cc2ccc3ncccc3c2)C1 257319927 VUQIOLXKDGNLEP-NRFANRHFSA-N 432.572 2.468 0 40 IEAB Cc1ncsc1CN1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@H]2C1 306127459 FZAVKKYGAIBWBO-IRXDYDNUSA-N 443.554 2.078 0 40 IEAB COC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 409144577 LPWDFNYWENPEPO-UHFFFAOYSA-N 427.276 2.153 0 40 IEAB CSCC[C@H](NC(=O)CCn1c(O)nc2ccccc2c1=O)c1nnc2ccccn12 524733465 MCJGUDVJSCOUHV-INIZCTEOSA-N 438.513 2.146 0 40 IEAB COc1ccccc1/C=C(/C(=O)OCC(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1ccccc1 3440169 VXMUMJAAKOYLMM-XPFMCRKWSA-N 443.521 2.425 0 40 IEAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=S)[C@@H]2C)OCO4)cc(OC)c1OC 6003209 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CS(=O)(=O)Nc1nc(CC(=O)N2CCC(c3cc4ncccc4cn3)CC2)cs1 12088433 YLMWBUKUKYROTC-UHFFFAOYSA-N 431.543 2.407 0 40 IEAB COc1cc2c(cc1CN1CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC1)OCO2 12089474 SCZXKVJNPLTWIV-OAQYLSRUSA-N 431.514 2.366 0 40 IEAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1 12229994 NQMNWRGRNPRODK-GOSISDBHSA-N 427.530 2.036 0 40 IEAB O=C(C[C@@H]1NC(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)C1=O)N1CCCC1 12539007 DEGCEMZEOAYVJD-APWZRJJASA-N 434.496 2.088 0 40 IEAB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 12696448 OPYJGHJDTZCADI-UHFFFAOYSA-N 428.489 2.467 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)cc1 12808024 MZTYDJJZDBCKPE-UHFFFAOYSA-N 428.514 2.374 0 40 IEAB COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccncc1 13508121 GPCLDXRVMOZRRJ-NRFANRHFSA-N 442.516 2.070 0 40 IEAB COc1ccc(N([C@H](C)C(=O)NCCN2CCCCCC2)S(C)(=O)=O)cc1Cl 13680791 GNIUZCHEANDQSR-OAHLLOKOSA-N 431.986 2.495 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nn1cnc2ccccc2c1=O 14604863 UJSWBFOSROXEBD-UHFFFAOYSA-N 440.525 2.274 0 40 IEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)n1 15910223 LXSUFWNRFJXVJE-UHFFFAOYSA-N 438.575 2.484 0 40 IEAB O=C(c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2)N1CCN(c2cccc(Cl)c2)CC1 16850969 DCSWXZURBNFMAD-QGZVFWFLSA-N 448.976 2.347 0 40 IEAB COc1ccc(CN2C[C@@H](c3c(F)cccc3F)[C@@]3(COCCC(=O)N3)C2)cc1CO 19559379 HGXSWPJZFBNKJZ-SBUREZEXSA-N 432.467 2.340 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)c4cnn(C)c4)C3)nc2C)c1 19757872 IIAYRHPSNRPVJM-KRWDZBQOSA-N 434.500 2.087 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccco4)nn3)C2)cc1 23142946 FWZBMFOZBCTURO-CQSZACIVSA-N 427.486 2.239 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)Cc3cnn(-c4ccccc4)c3)C2=O)cc1 23907823 DNNQDGOXSGTHME-DEOSSOPVSA-N 447.495 2.307 0 40 IEAB NC(=O)c1ccc(C(F)(F)F)n(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)c1=O 24111375 QXVIHPQZLICUPX-UHFFFAOYSA-N 445.781 2.419 0 40 IEAB Cc1nn(C)c2ncc(C(=O)OCC(=O)Nc3cc(Cl)ccc3-n3cncn3)cc12 24198251 PQYFPIVTEVFEER-UHFFFAOYSA-N 425.836 2.306 0 40 IEAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(CC(=O)NCCOC)c12 39556746 ITYGXAFXDOBYEZ-PDGQHHTCSA-N 428.558 2.386 0 40 IEAB Cc1cccc(NC(=O)CN2CCN([C@@H](C)C(=O)Nc3sccc3C(N)=O)CC2)c1C 45511192 BHVLJGFMMIOKKA-INIZCTEOSA-N 443.573 2.047 0 40 IEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCNC(=O)c1cccnc1)[C@]1(C2)NC(=O)c2ccccc2N1 72326937 FVYFDURXIJUDAC-JKDBKWGBSA-N 447.539 2.306 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3C[C@H]3C3CCCCC3)cc2)CC1 96014078 AEKMDMWPNDMKNY-UNMCSNQZSA-N 447.601 2.486 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccccc3Cl)C2=O)cc1OC 101169787 JKHPCFOQJHXZNX-MSOLQXFVSA-N 443.847 2.289 0 40 IEAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1 219434235 SSBYAYIJBSMMIJ-UHFFFAOYSA-N 431.489 2.099 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)[C@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1 224794133 OQESIPAYTFXXFZ-IBGZPJMESA-N 444.513 2.336 0 40 IEAB Cc1ccc2nccc(N3CC[C@](O)(CNC(=O)c4ccc(OCCCN)cc4)C3)c2n1 257297931 RJKRKXJEELUTNW-DEOSSOPVSA-N 435.528 2.037 0 40 IEAB CC(=O)N[C@@H]1C[C@@H](C(=O)O)N(C(=O)c2cccc(Cn3ccnc3)c2)[C@H]1c1ccccc1 257319191 VREGQEWPFQFWDY-FSSWDIPSSA-N 432.480 2.477 0 40 IEAB O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1ccc(OCCN2CCCCC2)cc1 257339741 ZCZRBLVCUHNDGZ-XMMPIXPASA-N 439.560 2.103 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)COc2ccc(OC)cc2)Oc2ccccc21 260455474 VLXHGZPWRULQHE-FOIQADDNSA-N 434.514 2.196 0 40 IEAB Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1 408656696 OAHQFHLZGSPVPU-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1 919792 KMBAGKRCXRRXKW-UHFFFAOYSA-N 436.501 2.297 0 40 IEAB COc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)cc1 6177351 GSXBQSOMPBWQEK-QGZVFWFLSA-N 447.557 2.207 0 40 IEAB Cc1cccc(OCc2nnc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)o2)c1 8898371 DDDVAADSQCJZAI-UHFFFAOYSA-N 445.501 2.335 0 40 IEAB Cn1c(SCCN2C(=O)c3ccccc3S2(=O)=O)nc2sc3c(c2c1=O)CCC3 9137417 OWRFPKBOKXGWPB-UHFFFAOYSA-N 447.563 2.421 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)O 9184125 QWAQVSQFHMTKIR-ABAIWWIYSA-N 440.547 2.429 0 40 IEAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 9613506 IEUPVQRCZQIXHK-UHFFFAOYSA-N 438.527 2.449 0 40 IEAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21)Nc1ccc2c(c1)OCCO2 9674604 JWZPNJPRPBHIEP-QZTJIDSGSA-N 441.831 2.043 0 40 IEAB C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCOc1ccc(F)cc1 9729256 YRGSAOVJKCMNFD-PXAZEXFGSA-N 431.869 2.129 0 40 IEAB CCn1cc([C@@H]2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)N(C)S(=O)(=O)N2)c(C)n1 12130313 LVWYOPZLHJYDGN-HOTGVXAUSA-N 445.467 2.449 0 40 IEAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)N(C)S(=O)(=O)N1 12131124 WDFGGLUTGXONLF-LSDHHAIUSA-N 432.333 2.254 0 40 IEAB COc1cc([C@H]2CC(=O)c3c(C)nc(N4CCN(C)CC4)nc3C2)cc(OC)c1OC 12389274 GULMFRXEBYOSBJ-OAHLLOKOSA-N 426.517 2.475 0 40 IEAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCCN3CCCC3=O)c2)cc1 12526466 GKRPBBCHEVUTPN-UHFFFAOYSA-N 431.514 2.238 0 40 IEAB CC(C)CNC(=O)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12777896 QHZKMVYSJUCEGK-UHFFFAOYSA-N 428.489 2.152 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1 12890567 JUAPEEONXRDDIF-UHFFFAOYSA-N 425.485 2.311 0 40 IEAB CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12907960 LCOUAYBNKGFQNR-UHFFFAOYSA-N 446.525 2.393 0 40 IEAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)C1=O 12908546 FHMVJSOLTJWDRY-OYHNWAKOSA-N 425.441 2.182 0 40 IEAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c1 13070771 SMPALXYEMQAAQK-GFCCVEGCSA-N 433.891 2.009 0 40 IEAB CCN(C(=O)[C@H](C)Sc1nnc(NCc2ccco2)s1)[C@@H]1CCS(=O)(=O)C1 13127978 ZQBHWZNAJCZIEU-NWDGAFQWSA-N 430.577 2.259 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1)N1CCc2ccccc2C1 14242879 NVQOHIRVHUHRBI-UHFFFAOYSA-N 433.961 2.231 0 40 IEAB COC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2O1 14571408 GOQAHAACBAYZEZ-HXUWFJFHSA-N 444.509 2.055 0 40 IEAB CNC(=O)c1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 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COc1ccc(C(=O)NCCC(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC[C@H]1C 32716751 KWSWZCVNNDJEPA-MRXNPFEDSA-N 437.562 2.001 0 40 IEAB CCOc1cc(CN(C)C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)ccc1OC(F)F 32829208 HPPRJVLLNHROHS-UHFFFAOYSA-N 433.411 2.349 0 40 IEAB Cc1ccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1 34887558 WIDAYPZNCPTMOF-UHFFFAOYSA-N 448.520 2.097 0 40 IEAB O=C(NCCOc1ccc(F)cc1)c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 36708445 UZOLDFZUUCRXTI-OAHLLOKOSA-N 433.461 2.451 0 40 IEAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(F)c(Cl)c4)cnc32)c1 40478143 VEOLLJDMRDLNCF-UHFFFAOYSA-N 442.838 2.476 0 40 IEAB CC[C@@]1(c2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)CCC(=O)NC1=O 58225021 XXACIAJHERWDCA-QFIPXVFZSA-N 443.525 2.274 0 40 IEAB CCNC(=O)COc1ccc(/C=C/c2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)cc1OC 58343539 YPUFKWBGURLCMS-UXBLZVDNSA-N 437.452 2.404 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(OCCn3cncn3)c2)cc1C 71821250 BHKISNGKPDVXJC-UHFFFAOYSA-N 443.529 2.281 0 40 IEAB Cc1c([C@@H]2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)N(C)S(=O)(=O)N2)cnn1C 72335061 RNKGTLXSMFTMGY-LSDHHAIUSA-N 432.333 2.254 0 40 IEAB COc1ccccc1C(=O)N1CCN(Cc2ccnc(N3C[C@H](C)O[C@H](C)C3)n2)CC1 72348154 FKJYKIDXXGVLNV-HDICACEKSA-N 425.533 2.057 0 40 IEAB Cc1cnc2c(C(=O)N3CCC(c4ccc(C(=O)NC[C@H]5CCCO5)cn4)CC3)cnn2c1 72374415 YGDLXOCCFKOXTD-LJQANCHMSA-N 448.527 2.361 0 40 IEAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CO)c1ccccc1 79019874 MEBKKBCPVDGIMB-PKOBYXMFSA-N 429.542 2.176 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccccc4)N4N=CC=C[C@@H]4[C@@H]3C2=O)cc1 101592973 UTYXMQOBMVGVFW-MHTWAQMVSA-N 429.432 2.209 0 40 IEAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@@H]1CCN(c2ccccc2)C1 106755222 CCDNRLSVCGMYOB-GAJHUEQPSA-N 432.524 2.105 0 40 IEAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 222671448 FNMKECLPQGUMLV-UHFFFAOYSA-N 448.497 2.414 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223229368 OPWDRZVILRFVQO-CEXWTWQISA-N 429.492 2.020 0 40 IEAB NC(=O)CNC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c1 509634529 MHSNZVZSQZOENB-UHFFFAOYSA-N 446.442 2.270 0 40 IEAB CSCC[C@@H](C(=O)Nc1ccc2c(c1)OCC(=O)N2)n1c(O)nc2ccccc2c1=O 524733051 PBUASOKKFVEQOU-INIZCTEOSA-N 440.481 2.366 0 40 IEAB COc1cc([C@@H]2c3cc4c(cc3[C@H](OCCN)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 1629396 AVQJGWBIRNZWFE-IVENEQQZSA-N 443.452 2.089 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1C[C@H](C)C[C@@H](C)C1 3295231 RABMYPHHSBPPPN-HUUCEWRRSA-N 439.603 2.009 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 8944169 ORZYJSMZKXCSTD-MRXNPFEDSA-N 434.514 2.431 0 40 IEAB COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccc4c(c3)OCO4)n2C)cc1 9263799 MFNYBNAJNBSXHF-UHFFFAOYSA-N 440.481 2.457 0 40 IEAB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NCc1ccccn1)c1ccccc1 9974198 QWMTYAMJYIDTKU-UXHICEINSA-N 448.431 2.234 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@H](c2cc(OC)ccc2OC)n2nnnc2N1 10232070 VAZWQMXYOZCZGH-SFHVURJKSA-N 439.403 2.154 0 40 IEAB Cc1ccc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)s1 10664917 ZONMTUMGAXKDLB-UHFFFAOYSA-N 425.532 2.157 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCc1nc2ccccc2[nH]1 12556719 IPZKRGQENYMPHE-MRXNPFEDSA-N 429.546 2.327 0 40 IEAB COc1ccc([C@@H](CNC(=O)CN2C(=O)CCOc3ccccc32)N2CCOCC2)cc1 12761550 JGMCSWVITXUNIV-OAQYLSRUSA-N 439.512 2.000 0 40 IEAB CN(C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 12925659 MNEOAQAFNYDWRQ-AWEZNQCLSA-N 441.571 2.196 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1F 13844294 SNWFMNDBSDIQAL-OAHLLOKOSA-N 449.504 2.139 0 40 IEAB O=C(CN1CCC(NC(=O)C2CCN(C(=O)c3ccco3)CC2)CC1)Nc1ccccc1 14731501 JKVJGXKIELOVHO-UHFFFAOYSA-N 438.528 2.351 0 40 IEAB Cc1c(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 15269204 BQGZHRDFPXJBHC-UHFFFAOYSA-N 448.932 2.445 0 40 IEAB C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1sccc1C(N)=O 16828650 VEQSUDPLGBHLAR-NSHDSACASA-N 432.454 2.152 0 40 IEAB CCc1nc2ccccc2n1CC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 17342766 QCTBKXHQFLJEPA-UHFFFAOYSA-N 446.511 2.132 0 40 IEAB Cn1c(=O)c(C(=O)CNc2ccc(Br)cc2)c(N)n(Cc2ccccc2)c1=O 18936781 YSGWVNJQZWAAID-UHFFFAOYSA-N 443.301 2.235 0 40 IEAB COc1ccc(OC)c([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C)CC2)c1 19589824 CATPCSZPOTUKAD-NRFANRHFSA-N 426.496 2.215 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)c1 19689939 TZKCCIXZWZKDDP-SFHVURJKSA-N 442.545 2.478 0 40 IEAB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccc(F)cc3)CC1)C2=O 19699564 MTTQSAALLXMLQA-UHFFFAOYSA-N 432.496 2.333 0 40 IEAB CN1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2Cl)CC1 19819898 RFWFXSVTVOTNIR-GOSISDBHSA-N 437.949 2.336 0 40 IEAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)[C@@H]3C[C@@H]3C)ccc2OC)cc1 23189110 QKSOEMGTOMMGMT-SUMWQHHRSA-N 447.513 2.215 0 40 IEAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 23560767 YYNJYGPCPLDAQS-IFMALSPDSA-N 425.504 2.364 0 40 IEAB O=C([C@H]1CC(=O)N(c2ccccc2F)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23805191 JVFKJKVKPXDARL-KRWDZBQOSA-N 425.460 2.252 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2Br)c1 28051304 DOVXTOAKMIMLMZ-UHFFFAOYSA-N 447.376 2.323 0 40 IEAB COc1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(N)=O)cc(OC)c1 32741937 WLRRVDWDMOJUIY-UHFFFAOYSA-N 441.513 2.487 0 40 IEAB O=C(OCc1nc2ccccc2s1)c1cc(S(=O)(=O)N2CCOCC2)ccc1O 33642454 UNSBRFZNFFXXKV-UHFFFAOYSA-N 434.495 2.380 0 40 IEAB CCOc1ccc(NC(=O)COc2ccc([C@@H]3CC(=O)N=C4NC=NN43)cc2OC)cc1 38182716 DXECOSLLJRJJBD-KRWDZBQOSA-N 437.456 2.287 0 40 IEAB CCOc1ccccc1CN(C[C@@H](C)O)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 40138979 YZLLXDPCTGLGDQ-HZPDHXFCSA-N 435.546 2.386 0 40 IEAB Cc1ccccc1N1CCN(C(=O)c2cn(-c3cc(N4CCSCC4)ncn3)cn2)CC1 49411324 SHBNTRDZFHNNDJ-UHFFFAOYSA-N 449.584 2.486 0 40 IEAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C(C)C)c1 72288215 SZNYEVHWGWUPOQ-AZUAARDMSA-N 446.525 2.103 0 40 IEAB Cc1ccccc1-c1cccc(C[C@@H]2C(=O)NCCN2C(=O)COCCN2CCCC2=O)c1 72351923 FUVJPTUESZVGKF-HSZRJFAPSA-N 449.551 2.171 0 40 IEAB O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 89834877 NPHAJZFYFPBXQX-IFMALSPDSA-N 430.593 2.398 0 40 IEAB CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 96003386 BFXLAVNAWYBKNJ-ACJLOTCBSA-N 436.350 2.331 0 40 IEAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)no1 96010160 BQLPIYDNWGGSFG-PXAZEXFGSA-N 436.921 2.396 0 40 IEAB COC(=O)c1ncsc1S(=O)(=O)NC(=O)c1ncoc1-c1ccccc1Cl 96013378 OZZFWHKFVSJELA-UHFFFAOYSA-N 427.847 2.357 0 40 IEAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cc3cccc4c3n(c2=O)CCC4)o1 96116046 OQSXSFJCXCYMMX-MRXNPFEDSA-N 425.437 2.448 0 40 IEAB biogenic Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@H](C)c4n[nH]c(=O)c5ccccc45)C3)cc2n1 100137889 PZYUSXNNYIQRJN-HUUCEWRRSA-N 432.484 2.490 0 40 IEAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 104206523 XYJHJKBRXBIALT-WLRLJWMZSA-N 431.448 2.301 0 40 IEAB COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1S(N)(=O)=O 223039970 MXINXCWFMVSGNJ-UHFFFAOYSA-N 443.447 2.324 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1)c1ccc(F)cc1 224780128 HKFBHAFRJWFLAL-UHFFFAOYSA-N 448.564 2.351 0 40 IEAB Cn1nccc1C(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 257201514 AHYMWKPYOWMISB-HSZRJFAPSA-N 444.507 2.110 0 40 IEAB CCOC(=O)[C@]12C[C@H]3[C@H](O[C@H]1CCN(CC(N)=O)C2)c1cccc(OCC)c1OC3(C)C 257245303 IOWYXFUUUHSFBV-LXBLAULMSA-N 446.544 2.443 0 40 IEAB CCn1ccc(C(=O)N2CCN(C)[C@H](C(=O)NCCc3ccc(C(F)(F)F)cc3)C2)n1 257266736 MEGHOHOFVJKGLN-SFHVURJKSA-N 437.466 2.037 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(Cl)c(Cl)c1 408610196 OFFPHYXWBYEQSN-UHFFFAOYSA-N 430.313 2.493 0 40 IEAB COC(=O)c1c(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)sc2c1CCC2 408617589 HFUCFZJAOSDETH-UHFFFAOYSA-N 438.527 2.437 0 40 IEAB CCn1c(O)nc2cc(C(=O)Nc3ccc4c(c3)N(C(=O)COC)CCC4)ccc2c1=O 1618064434 HHMBQDAUQKCRER-UHFFFAOYSA-N 436.468 2.300 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1cccs1 633287 RZMWHLWFHDQORL-QMJOVRGKSA-N 426.519 2.478 0 40 IEAB CSc1ncccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3295203 YEBDJLBBLPQTKQ-UHFFFAOYSA-N 435.527 2.384 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)CC1 3346015 QAMWTJPYQCLXMF-QFIPXVFZSA-N 441.553 2.347 0 40 IEAB Cc1cccc(-n2nnnc2SCC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 9512938 DWVMEIMYDNBCRX-UHFFFAOYSA-N 428.543 2.109 0 40 IEAB C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)c1c[nH]c2ccccc12 9551071 ATBLNKZQXRCHNB-ZDUSSCGKSA-N 425.466 2.411 0 40 IEAB COCCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c1C 9632031 POZQEXZMELCSBA-HSZRJFAPSA-N 441.484 2.172 0 40 IEAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2 10219703 LZKJNEFHKRJASL-UHFFFAOYSA-N 444.900 2.209 0 40 IEAB COc1ccccc1CNC(=O)Cn1nc(-c2cc(OC)c(OC)c(OC)c2)ccc1=O 10220827 KJJSONKGSFHNCS-UHFFFAOYSA-N 439.468 2.261 0 40 IEAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10447009 MYMFKYRLGUGESM-HNNXBMFYSA-N 433.505 2.370 0 40 IEAB CCn1cc([C@@H]2C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)N(C)S(=O)(=O)N2)c(C)n1 12130304 URMGOTOBGGDDIV-JKSUJKDBSA-N 429.905 2.222 0 40 IEAB CCOCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2cccc(C)c2)n(C)c1=O 12231701 LOHLXSUFXHHXIE-UHFFFAOYSA-N 436.516 2.092 0 40 IEAB COC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2ccccc2C)S1(=O)=O 12415918 XYXSAVIVKQXRQW-UHFFFAOYSA-N 431.514 2.173 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 12986488 TXAHKMZAYKWNMX-UUOWRZLLSA-N 437.496 2.451 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 13062954 SGKCBEGWPZEQCJ-OWCLPIDISA-N 429.533 2.164 0 40 IEAB CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)N(C)C)CC2)sc2c1CCCC2 13678741 QRNNDYXEJQNJOG-UHFFFAOYSA-N 443.591 2.261 0 40 IEAB O=C(NCCN1CCn2cc(OCc3ccccc3)c(=O)cc2C1=O)c1ccccc1F 16850514 ULVVCNMRJBWEHO-UHFFFAOYSA-N 435.455 2.452 0 40 IEAB CC(=O)N1CCc2nc3cc(C4CCN(C(=O)c5ccc(F)cc5)CC4)nn3c(O)c2C1 19018037 UGFPSSHYGALOQN-UHFFFAOYSA-N 437.475 2.498 0 40 IEAB CCN1CCC(CC(=O)N2CCC[C@@H](c3nc4c(c(NC)n3)CN(C(C)=O)CC4)C2)CC1 19710518 WNQLLABODDRYCA-LJQANCHMSA-N 442.608 2.251 0 40 IEAB CCn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1ccccc1F 21713690 LVVJFLZBUQDTSQ-UHFFFAOYSA-N 439.422 2.345 0 40 IEAB O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCN(Cc2cccs2)CC1 22002290 WUHFDUWPLCNOOZ-SFHVURJKSA-N 449.598 2.163 0 40 IEAB O=C(CSc1nncn1C1CC1)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 23004698 YUPJCOLXKQYLQB-UHFFFAOYSA-N 435.453 2.184 0 40 IEAB COc1ccc(OCCN2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)cc1 23805074 IUGLDPWSVBARDE-UHFFFAOYSA-N 437.496 2.185 0 40 IEAB COc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3cn(C)c4ccccc34)CC2=O)c1 32102948 XIKNRJMYYSQPLJ-MRXNPFEDSA-N 434.496 2.086 0 40 IEAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)NCC(F)(F)F)c2)no1 32776097 ADZQNIFFIIMKEJ-JTQLQIEISA-N 435.380 2.008 0 40 IEAB O=C(NCCn1ncc2c(N3CCOCC3)ncnc21)C1(c2cccs2)CCCC1 35590533 SOPKAQDFDJCLNE-UHFFFAOYSA-N 426.546 2.353 0 40 IEAB CCCCCn1c(N2CCN(Cc3ccccc3F)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952420 SHMDDSMXRCYIAB-UHFFFAOYSA-N 428.512 2.075 0 40 IEAB COCCOc1ccc([C@H](C)NC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1OC 59119122 FIDGPVQZAHELIZ-HNNXBMFYSA-N 427.457 2.415 0 40 IEAB COc1ccc(N2Cc3nn(CC(=O)NCc4ccccc4Cl)c(=O)n3C2=O)cc1 66087632 XKHCRBUPNLGOSZ-UHFFFAOYSA-N 427.848 2.012 0 40 IEAB CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccc(CC)cc1 67286582 RUUDHMBUBDRTHV-HXUWFJFHSA-N 444.532 2.194 0 40 IEAB COC(=O)[C@]1(NCC(=O)NCc2cccc(OC)c2)CCCN(Cc2ccccc2)C1 95454695 SEVQSTZIIXVLQF-DEOSSOPVSA-N 425.529 2.109 0 40 IEAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2 96514047 DRKHINWAHVWQMR-OVCLIPMQSA-N 438.527 2.332 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(I)cc1 100394674 ZICDEKHPZFJWES-HGDXVPPDSA-N 448.260 2.283 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 222861280 NITVMXLZWODWJE-MRXNPFEDSA-N 437.496 2.235 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 223786559 YREWDCJXNUTERR-JKSUJKDBSA-N 436.530 2.442 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1cccc(C(C)=O)c1 224698175 VWUCSNAWXAUAGF-UHFFFAOYSA-N 446.525 2.490 0 40 IEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N[C@@H]1CN3CCC1CC3)NC2=O 247946135 JZPKEUKJIURZGC-YTNPXOLSSA-N 425.529 2.160 0 40 IEAB CN(C)CCOc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3ccnc4cccnc34)C2)cc1 257256578 KMBHBHFUSGDMON-RUZDIDTESA-N 449.555 2.284 0 40 IEAB COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(C(=O)[C@@H](N)CCC(=O)O)CC[C@H]3O[C@@H]21 257271426 MYGZIKRXOJADGI-LSJRZNPGSA-N 432.517 2.353 0 40 IEAB CN(C)C(=O)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)COc1ccccc1)C2 585107490 XNOGUNYMFDEWFR-VWLOTQADSA-N 445.523 2.287 0 40 IEAB OC1(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CCN(c2ccc(F)cc2)CC1 585283579 RZUPDAGUYMURHM-DEOSSOPVSA-N 448.510 2.438 0 40 IEAB NC(=O)C1(CNc2ncnc3c2cnn3-c2cccc(Br)c2)CCOCC1 1651528551 KKOAVWLGSIHWLJ-UHFFFAOYSA-N 431.294 2.272 0 40 IEAB CCn1cc(S(=O)(=O)N(C)C2CN(c3ncnc(-c4ccccc4)c3F)C2)nc1C 1775973162 JAJBBXWZQIOSGL-UHFFFAOYSA-N 430.509 2.317 0 40 IEAB COc1ccc(S(=O)(=O)N2CC(n3nc(-c4ccccc4OC)ccc3=O)C2)cc1F 1775974578 VRFYAUQETJKDRE-UHFFFAOYSA-N 445.472 2.312 0 40 IEAB C[C@H]1CCCCN1C(=O)CN1CCO[C@]2(CC=CCc3ccccc3OCCNC2=O)C1 2037884878 DHXNWRDTFSMRBZ-NBGIEHNGSA-N 441.572 2.156 0 40 IEAB O=C1C[C@H](c2ccc(Cl)cc2)N2N=C(NC(=O)/C=C/c3ccc4c(c3)OCO4)NC2=N1 2407633 UHEOLTAYOCSABI-GBVWOXPPSA-N 437.843 2.402 0 40 IEAB COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SCC(N)=O)cc1 6577614 XIFQAWWBGAOVIF-UHFFFAOYSA-N 427.511 2.278 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1C 8692849 WJZOHFIICTUWEB-UHFFFAOYSA-N 447.513 2.414 0 40 IEAB CC(C)COC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(I)cc1 8816041 DKDOCFFRVAZPHG-ZIAGYGMSSA-N 432.258 2.458 0 40 IEAB CCN(CC)CCSc1nc(-c2cccc(OC)c2)nc2c1c(=O)n(C)c(=O)n2C 9517569 QWVKEUYHLRKUED-UHFFFAOYSA-N 429.546 2.137 0 40 IEAB COc1ccc(CCN(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 12877692 KDZYQRHOIDLKJU-UHFFFAOYSA-N 448.541 2.039 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=S)NC[C@@H]3CCCO3)CC2)c1C 13638342 NOFAPXHJOAWUAE-SFHVURJKSA-N 425.620 2.280 0 40 IEAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC(C)C)c1 13682315 DSAZXYUHKMNKRY-UHFFFAOYSA-N 449.529 2.010 0 40 IEAB CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)[C@H](C)CC)ccc12 15955498 BSVYXBFIVHCHTL-JLCFBVMHSA-N 446.500 2.246 0 40 IEAB biogenic O=C(CCC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)NCCSc1ccccc1 16028016 QUYWAFXAEUQLJA-ZWKOTPCHSA-N 425.554 2.483 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)Cc3cn(C)nc32)cc1 19701514 ISPQAAPDYZUJBI-HXUWFJFHSA-N 440.525 2.033 0 40 IEAB CNc1nc(C2CCN(C(=O)C3CCN(C(C)C)CC3)CC2)nc2c1CN(C(C)=O)CC2 19711420 QJZZRMFUGCHXAL-UHFFFAOYSA-N 442.608 2.249 0 40 IEAB Cc1cc(C(=O)N2CC[C@@](Cc3cc(C4CCCCC4)no3)(C(N)=O)C2)nc(N(C)C)n1 19739158 CCKBOJOIPDPKLS-QHCPKHFHSA-N 440.548 2.447 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2c(C)nsc2NC)c1 21669914 JJHCYLKZYNYMTC-UHFFFAOYSA-N 440.547 2.319 0 40 IEAB Cc1ccc2nc(COC(=O)CCCN(C)S(=O)(=O)c3ccc(F)cc3)cc(=O)n2c1 22053050 VLJNNIMZZZWKFM-UHFFFAOYSA-N 447.488 2.286 0 40 IEAB CCn1c(COC(=O)c2cccc(OC)c2O)nc2cc(S(=O)(=O)N(C)C)ccc21 23273849 OFBITDHFWKYXAG-UHFFFAOYSA-N 433.486 2.378 0 40 IEAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23864953 RVLHHLHOSLRZCY-CYBMUJFWSA-N 441.912 2.387 0 40 IEAB Cc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)N2CCC(C)CC2)CC1 36239867 CWZUXJYUQYXXFI-UHFFFAOYSA-N 428.986 2.181 0 40 IEAB CC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1 36366176 GATXUZFKWBXSLB-GOSISDBHSA-N 430.486 2.206 0 40 IEAB NC(=O)CCN(C(=O)COC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccc(F)cc1 36391390 BCZXYTRRXAYPDY-UHFFFAOYSA-N 428.395 2.420 0 40 IEAB O=C(CNc1cccc(C(=O)N2CCC[C@H](O)C2)c1)Nc1ccccc1C(=O)NC1CC1 58191922 VJSJULMZVRLGCB-IBGZPJMESA-N 436.512 2.226 0 40 IEAB COc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1 70893679 UKEJYZJYHFSKGS-UHFFFAOYSA-N 430.892 2.351 0 40 IEAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCC[C@@H](c2ccccc2)C1 72348129 UXMAESODYIAMSQ-GOSISDBHSA-N 428.496 2.020 0 40 IEAB COc1cccc(CNC(=O)CSc2ncc(S(=O)(=O)c3ccccc3)c(N)n2)c1 90610060 KOPCAATUOHSSSL-UHFFFAOYSA-N 444.538 2.309 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4ccncc4)CC3)O2)cc1 96036701 VZDZKIJZFUHZLB-QFIPXVFZSA-N 447.539 2.493 0 40 IEAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCOCC3)c2c1 105692358 AISBDOYXQQYBGB-YZVOILCLSA-N 427.457 2.231 0 40 IEAB C[C@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(I)cc1 108157946 MMCJYQRUFIUEIT-SMDDNHRTSA-N 436.315 2.264 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 223195992 XSBHLYFXEPJDLE-UHFFFAOYSA-N 436.486 2.140 0 40 IEAB Cc1noc(-c2ccn3c(CNC(=O)COc4cccc5c4OC(C)(C)C5)nnc3c2)n1 225743970 VWRKGVGRMIKYMI-UHFFFAOYSA-N 434.456 2.496 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225822320 YKIAGWUOKLBZAX-UHFFFAOYSA-N 447.488 2.456 0 40 IEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(OC)c(OC)c3OC)ccc21 225841715 FYFCHTFVTXNMHT-UHFFFAOYSA-N 434.514 2.490 0 40 IEAB COC(=O)[C@]1(CC(=O)N2C[C@H](C)O[C@@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 247810806 CMZGYCIEXZXDJV-COCHSABPSA-N 446.519 2.317 0 40 IEAB CN1CCC(CN(C)C(=O)c2ccc3c(c2O)[C@H](O)[C@]2(O)[C@@H](C[C@H]4C[C@@H]2C4(C)C)O3)CC1 257240289 HSWQNUQSLFTZKC-UQJUYAFZSA-N 444.572 2.398 0 40 IEAB CCOc1ccc(N([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260903876 QVFXCIITMWTZLU-QAPCUYQASA-N 434.514 2.196 0 40 IEAB COCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1C 408618497 GOEAUSPSDUIILY-UHFFFAOYSA-N 435.521 2.021 0 40 IEAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@H]1c1ccco1 408733476 YDERWJZCDGHQMC-DDYRAIOVSA-N 438.461 2.229 0 40 IEAB O=C1CN(C2CCN(S(=O)(=O)c3ccccc3Br)CC2)C(=O)N1C1CC1 618255331 AYBJGAFWEYEBOE-UHFFFAOYSA-N 442.335 2.029 0 40 IEAB Cc1ccc(CNC(=O)[C@H]2C[C@@]3(CO2)CN(Cc2ncc(C(F)(F)F)[nH]2)CCO3)cc1 2056225695 YOVGITKJNXUMRZ-UZLBHIALSA-N 438.450 2.413 0 40 IEAB CSc1ccccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 3531587 UEWREFPQUBETHT-UHFFFAOYSA-N 434.539 2.098 0 40 IEAB CC(=O)c1ccc(NC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)cc1 8599242 SQVFMVXQQFASTJ-UHFFFAOYSA-N 431.496 2.411 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)N(C)Cc2cc(Br)ccc2OC)CC1 8708476 AFVNQHQFGQUVHI-UHFFFAOYSA-N 433.368 2.478 0 40 IEAB COc1ccc2c(CC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)coc2c1 8825422 FFHKIDNJLSNWIR-JOCHJYFZSA-N 436.464 2.495 0 40 IEAB CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 8970971 SCENHLLWBMSJEG-MJGOQNOKSA-N 443.544 2.354 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 9331890 UTYXMQOBMVGVFW-BQJUDKOJSA-N 429.432 2.209 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1 9414925 HDSVQHLPUSJRRJ-UHFFFAOYSA-N 444.492 2.323 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)N1N=CC=C[C@H]21 9424798 FFADEPXGHFPNTL-WTGUMLROSA-N 447.422 2.209 0 40 IEAB COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 9489376 ZTVJPAOCGXXIOA-GOSISDBHSA-N 443.500 2.132 0 40 IEAB COCCn1cnc2c1c(=O)n(CC(=O)Nc1cc(Cl)ccc1C)c(=O)n2CC(C)C 9613158 MVTFPYDAXMBPSM-UHFFFAOYSA-N 447.923 2.263 0 40 IEAB CSc1nc(COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(=O)[nH]1 9742794 WZMRKJZUXPXZOA-MRXNPFEDSA-N 439.559 2.237 0 40 IEAB CCCCn1nnnc1COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C 9962534 GDEIRGVPPZBSHV-INIZCTEOSA-N 429.930 2.173 0 40 IEAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)COc5ccccc5F)CC4)ncnc32)cc1 11665828 PQNLCCWFLUKOHT-UHFFFAOYSA-N 447.474 2.386 0 40 IEAB O=C(c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F)N1CCCc2ccccc21 12031308 XSMCJTXVBZBDJW-INIZCTEOSA-N 437.514 2.380 0 40 IEAB C[C@@H]1CCCN(C(=O)[C@@H](C)Sc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)C1 13018206 FMKYRFKANZSIRP-CHWSQXEVSA-N 433.578 2.064 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1cnn(C)c1C 13959723 BJZAIVHONWYVSZ-WBNHJWIASA-N 442.928 2.104 0 40 IEAB COc1cc(CNCCNC(=O)c2nonc2N)ccc1OCc1cccc(Cl)c1 16214783 NNAVCGCUNHDEPS-UHFFFAOYSA-N 431.880 2.412 0 40 IEAB O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)N1CCN(Cc2ccccc2)CC1 17912022 LLDQVGQOQRUQOU-UHFFFAOYSA-N 442.566 2.256 0 40 IEAB CC(C)c1ncc2c(n1)C1(CCN(C(=O)CCCN3C(=O)NC(C)(C)C3=O)CC1)OCC2 19454223 XXARWPWELCMVQE-UHFFFAOYSA-N 443.548 2.101 0 40 IEAB COc1ccc(C(=O)N2CCC(N3C(=O)NC4(CCN(C(C)C)CC4)C3=O)CC2)cc1 19699501 LMBMYVYSMPRJCN-UHFFFAOYSA-N 428.533 2.095 0 40 IEAB CNc1ncc(C(=O)N2CC[C@@H](c3c(C(=O)NCCOC)sc4ncccc34)C2)cn1 19702322 UTGVNKMBSQKXIW-CYBMUJFWSA-N 440.529 2.134 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)Oc2ccccc21 19932877 QTZKRMNOTZHJMZ-XOBRGWDASA-N 434.514 2.498 0 40 IEAB CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20493413 HYCYKGNGGSZLTI-GOSISDBHSA-N 431.514 2.381 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[nH]c(=O)c21 22610352 BVUAHLUYHOZHTF-AWEZNQCLSA-N 425.489 2.388 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)NCCc1cccs1 24215591 PQSYFZHRLZAULV-JOCHJYFZSA-N 437.569 2.382 0 40 IEAB Cc1ccc2ncc(C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c(=O)n2c1 28481621 PJZXKPFSEHUMPS-UHFFFAOYSA-N 434.452 2.223 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(-c3ccc(C)cc3)no2)c1 32721418 VITPPSWLIWIZGF-UHFFFAOYSA-N 444.513 2.481 0 40 IEAB Cn1c(=O)c(C(=O)CSc2nc3ccccc3n2C)c(N)n(Cc2ccccc2)c1=O 34869344 MLWMPEPDTPBRKQ-UHFFFAOYSA-N 435.509 2.039 0 40 IEAB COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 36185057 YRNRLESTKVYLQE-UHFFFAOYSA-N 438.933 2.342 0 40 IEAB O=C(NCCOc1ccc(F)cc1)c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 36708446 UZOLDFZUUCRXTI-HNNXBMFYSA-N 433.461 2.451 0 40 IEAB CSc1nc2ccc(NC(=O)c3ccc(-n4c(=O)n(C)c(=O)n4C)cc3)cc2s1 40146519 VZYSKCGRCIDSDD-UHFFFAOYSA-N 427.511 2.459 0 40 IEAB CCOc1ccc(S(=O)(=O)NC[C@H](C)NS(=O)(=O)c2ccc(OCC)cc2)cc1 54363284 SBCNNRAEBABBHV-HNNXBMFYSA-N 442.559 2.129 0 40 IEAB O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCN(c2ncccn2)CC1)Nc1ccccc1 67870877 FEFYAJMDOKWGIX-JAXLGGSGSA-N 435.576 2.131 0 40 IEAB biogenic,in-vitro CCOc1ccc(NC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)c(C(N)=O)c1 72310352 QMCFWGOQGWUKCT-UHFFFAOYSA-N 440.500 2.077 0 40 IEAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2cccc(F)c2)CC3)C1=O 96144439 MOKAUUGENJQXLT-QHCPKHFHSA-N 430.524 2.284 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)COc2ccc(OC)cc2)Oc2ccccc21 218789520 VLXHGZPWRULQHE-YWZLYKJASA-N 434.514 2.196 0 40 IEAB CC[C@@H]1CCCCN1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 223691908 ANEOJVYFOSHCFF-QGZVFWFLSA-N 441.594 2.095 0 40 IEAB O=C(N1CCOCC1)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 225425479 WXVLJZJXZUJUIL-UHFFFAOYSA-N 442.585 2.437 0 40 IEAB biogenic,in-vitro O=C(c1cncc(Br)c1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225760079 VHGGHNVWVPLQFO-UHFFFAOYSA-N 429.274 2.325 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(I)cc2)s1 225877915 BVMTYQZIJXNKIR-UHFFFAOYSA-N 438.272 2.292 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(CC(N)=O)cc2)CC1 226081435 YQXXZBVGBQRXKI-UHFFFAOYSA-N 445.541 2.071 0 40 IEAB CC(=O)NC1CCN(C(=O)[C@@]2(Cc3cc(-c4ccccc4)no3)CCN(C(C)=O)C2)CC1 257301797 RZYBFJGIAOQEAS-XMMPIXPASA-N 438.528 2.250 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 408670931 XSSAVLYPMCNUBH-BLMTYFJBSA-N 428.485 2.233 0 40 IEAB NC(=O)C[C@H](NC(=O)Oc1ccccc1)C(=O)OCC(=O)c1ccc(Br)cc1 409005154 ZMAOFYMDBKBHRJ-HNNXBMFYSA-N 449.257 2.208 0 40 IEAB CS(=O)(=O)Nc1cncc(C(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 502232074 GWQZHLBGFMQMFJ-SFHVURJKSA-N 431.518 2.270 0 40 IEAB COc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)cc1 585272100 IYDUAOBLZFXYCX-OAQYLSRUSA-N 430.545 2.278 0 40 IEAB CCc1ccc(C(=O)NC[C@@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)cn1 1614940715 KANITPPNQYHPRV-IBGZPJMESA-N 433.512 2.179 0 40 IEAB Cc1cc(=O)oc2cc(OC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)ccc12 3297599 IDJHBPPHMMRNRJ-UHFFFAOYSA-N 447.440 2.481 0 40 IEAB Cn1c(=O)c(C(=O)CSc2nnc(-c3ccccc3)o2)c(N)n(Cc2ccccc2)c1=O 3318911 GJERPLFHXDDIGE-UHFFFAOYSA-N 449.492 2.203 0 40 IEAB O=C(O)c1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c(Cl)cc1Cl 3331269 JHVVPLKZUXUEJW-UHFFFAOYSA-N 433.269 2.431 0 40 IEAB CCN(C(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 3397874 TVVRFLOKJHTWFD-VYENPZKTSA-N 445.541 2.081 0 40 IEAB O=C(N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(C4CCCC4)n3)CO[C@H]12)c1ccc2c(c1)OCO2 5433979 BREJCCLXNDENDX-ZCLUNYJNSA-N 438.484 2.240 0 40 IEAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2cnc3ccccc3c2=O)ccc1C 8685982 RQBNYIPGTQSNBL-UHFFFAOYSA-N 428.514 2.374 0 40 IEAB O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8899807 XJCSZTAQYDBHKG-UHFFFAOYSA-N 444.542 2.178 0 40 IEAB Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)COc3cccc(C)c3)c2=O)cc1 9016316 RLKXXVIDDHRLDY-UHFFFAOYSA-N 431.496 2.453 0 40 IEAB CCOC(=O)CN(C(=O)CSc1nnnn1-c1ccc(OC)cc1)c1ccc(F)cc1 9284774 LTUFZWBJQCXJNE-UHFFFAOYSA-N 445.476 2.498 0 40 IEAB O=C(Cn1cc(S(=O)(=O)CC(=O)N2CCCC2)c2ccccc21)N1CCCCCC1 9519782 VZRNMKLHXWGYHS-UHFFFAOYSA-N 431.558 2.440 0 40 IEAB O=C(COC(=O)[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9612604 JSTYSWQAWDGPOD-OAQYLSRUSA-N 445.493 2.427 0 40 IEAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 9726311 ZIHIGYWLJNGNGM-SFHVURJKSA-N 445.507 2.006 0 40 IEAB CCOCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OC)c(Cl)c2)n(C)c1=O 10102570 IVSDEAOWXBQDRP-CYBMUJFWSA-N 447.923 2.383 0 40 IEAB O=C(Nc1nnc(-c2ccno2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12234554 YEDUNOMQRYQIDY-MRVPVSSYSA-N 429.867 2.231 0 40 IEAB CCCCn1c(N)c(N(C(=O)[C@@H]2COc3ccccc3O2)C2CCCC2)c(=O)[nH]c1=O 12804521 RZJYJALJPWOBSP-KRWDZBQOSA-N 428.489 2.035 0 40 IEAB COc1cccc(NC(=O)CCN2C(=O)[C@@H]3Cc4cc(OC)c(OC)cc4CN3C2=O)c1 13733393 JECMMNQFDRIAMJ-SFHVURJKSA-N 439.468 2.430 0 40 IEAB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2C)cc1 13880326 QUJWRSUBRWVROJ-UHFFFAOYSA-N 439.497 2.483 0 40 IEAB CCN(Cc1ccccc1)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 15083687 VQVJQIMNCAQMPY-UHFFFAOYSA-N 432.542 2.307 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN(C)C)cc1 15360867 RLACENRSODNZKP-UHFFFAOYSA-N 439.603 2.257 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccccc2F)CC1 15433601 WGXIEXYYAAVAHP-UHFFFAOYSA-N 447.532 2.117 0 40 IEAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2cc(C)n(-c3cc(C)on3)c2C)CC1 16046802 UMFMMSMPOQMNRZ-UHFFFAOYSA-N 432.477 2.284 0 40 IEAB Cc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c(C)c1 16622113 HQIPVMLRGFQFLY-UHFFFAOYSA-N 426.458 2.448 0 40 IEAB Cc1c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 17303363 VBALEPUHTDCZCM-CQSZACIVSA-N 440.525 2.447 0 40 IEAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(Cc2ccccc2F)CC1 19552884 ROFLNOIECDXHSY-UHFFFAOYSA-N 427.505 2.493 0 40 IEAB Cc1ncsc1C(=O)N1CC[C@@H](c2ccnc3c(CN4CCOCC4)c(C)nn23)C1 19707597 BWVPHJDJACLPQM-MRXNPFEDSA-N 426.546 2.265 0 40 IEAB O=C(CSc1nnnn1C1CCCCC1)NCc1ccc(CN2CCOCC2)cc1 22373958 KLDPZLCAJHFTQM-UHFFFAOYSA-N 430.578 2.419 0 40 IEAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)N2CCN(C)CC2)cc1 22795403 AVRJHUXTGPEQCJ-HXUWFJFHSA-N 430.936 2.392 0 40 IEAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)N1CC=C(c2ccccc2)CC1 32805928 WSVQZCZYVWAEDD-DEOSSOPVSA-N 447.535 2.429 0 40 IEAB CCOC(=O)Nc1ccc(C(=O)NCCCN(Cc2cccnc2)S(C)(=O)=O)cc1 32926403 IENZAMWMXRWFMA-UHFFFAOYSA-N 434.518 2.232 0 40 IEAB O=C1C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21 37242858 MSRCTMFGFIANPA-QWHCGFSZSA-N 428.286 2.217 0 40 IEAB NS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1 40051789 MXLBNXLZFNTGAF-UHFFFAOYSA-N 442.324 2.239 0 40 IEAB O=S(=O)(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(Cl)s1 70924474 PDPNFHFWSAFYJA-UHFFFAOYSA-N 435.980 2.176 0 40 IEAB COc1cccc(CC(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)c1 72394885 UWUYFTYCFDZYIJ-YLJYHZDGSA-N 425.529 2.094 0 40 IEAB O=C(c1cnccn1)N1CCc2nc(C3CCN(Cc4cccc(F)c4)CC3)[nH]c(=O)c2C1 72399016 QMOQCXNEPPNYLM-UHFFFAOYSA-N 448.502 2.277 0 40 IEAB COc1ncccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 98004773 MFMLZJMYACCMSB-MHWRWJLKSA-N 427.438 2.285 0 40 IEAB Cc1cccc(C)c1-n1nnnc1C1(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CCCCC1 101400946 KONMQGRNBLAWEG-MNFWLRKXSA-N 449.511 2.305 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCOc1ccccc1OC 225141494 IUTWOMHWTCFNCK-UHFFFAOYSA-N 436.530 2.082 0 40 IEAB CC(=O)Nc1ncc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2cccs2)s1 238856247 JZCHKNKYEDBLSU-HNNXBMFYSA-N 429.570 2.439 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@H]2[C@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@]21O3 245229875 HYAMMVAHJFRONE-AQKMPTTRSA-N 443.588 2.443 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCCn2ccnc2)C1 408597477 WVYREQYGJJHGBR-OAHLLOKOSA-N 440.953 2.152 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 408620388 JJTMLCLMAPWLQB-CYBMUJFWSA-N 446.953 2.207 0 40 IEAB COC[C@@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 408625964 XPTCIVBFBBGZBE-GOSISDBHSA-N 434.558 2.388 0 40 IEAB O=C(C[C@@]1(COc2ccc(F)cc2)CN(Cc2ccc(O)cc2)CCO1)N1CCOCC1 585272928 KVRLGQJIBAVDDL-DEOSSOPVSA-N 444.503 2.430 0 40 IEAB CCn1c(=O)c2ccccc2n2c(CNc3cccc(C(=O)N4CCOCC4)c3)nnc12 615043911 XLHCQUPHBVTGPU-UHFFFAOYSA-N 432.484 2.149 0 40 IEAB CC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccsc1 1565520323 NQKOKDWLDJXGCG-UHFFFAOYSA-N 435.571 2.493 0 40 IEAB COc1cccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2)c1 1619364661 XCMZDHWDMJIHFJ-GOEBONIOSA-N 439.607 2.286 0 40 IEAB Cc1nnc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)s1 812615 OBBZKTFEZUEWHM-UHFFFAOYSA-N 434.934 2.447 0 40 IEAB COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(Cc3ccc(OC)c(OC)c3)C2=O)cc1 3410534 XBGSTTDPJSUUGG-QFIPXVFZSA-N 427.457 2.204 0 40 IEAB CCOC(=O)Cc1csc(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)n1 3417459 UFUZAHQTIQIDBY-UHFFFAOYSA-N 437.499 2.460 0 40 IEAB Cc1cc(C(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1C 3429415 ZVAXWIPXADZEBH-RMKNXTFCSA-N 446.525 2.102 0 40 IEAB COc1cc2cc(CN(CCO)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1OC 6239402 IPAXVDGXLQXTLB-UHFFFAOYSA-N 441.553 2.457 0 40 IEAB CCCCn1c(=O)n(CC(=O)N[C@H]2CCCC[C@H]2C)c(=O)c2c1ncn2Cc1ccco1 8778575 VWAYLIRQNUWTQH-AEFFLSMTSA-N 441.532 2.496 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 9288618 YJMUAZTYZGAGSG-VQIMIIECSA-N 443.525 2.136 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccnc2Cl)c1 9440035 RUDPRDUSHIZOQB-UHFFFAOYSA-N 432.285 2.434 0 40 IEAB Cc1cc(C(=O)CSc2nnnn2Cc2ccccc2)c(C)n1[C@H]1CCS(=O)(=O)C1 9446578 DINYCQXWMWKYGE-KRWDZBQOSA-N 445.570 2.474 0 40 IEAB O=C(COc1ccc(-c2nnco2)cc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9578526 JOBOJUPLMSMQQG-GOSISDBHSA-N 427.482 2.331 0 40 IEAB Cn1c(=O)c2c(SCC(=O)Nc3ccccc3F)nc(-c3ccco3)nc2n(C)c1=O 9637932 QRMUUUIQZXEODZ-UHFFFAOYSA-N 441.444 2.157 0 40 IEAB O=C(c1ccccc1Br)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 9954879 QAVSNPCGECMPPE-UHFFFAOYSA-N 430.368 2.328 0 40 IEAB CCN(CC(=O)Nc1ccccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430617 BZJMPXYEUMWAMM-UHFFFAOYSA-N 427.892 2.286 0 40 IEAB CN(C)CCn1nnc2c(sc3nc(N4CCCC4)c4c(c32)CC(C)(C)OC4)c1=O 12391338 BAGRUFJDJRJKGP-UHFFFAOYSA-N 428.562 2.414 0 40 IEAB COc1cccc(N2CCN(S(=O)(=O)CCCOc3ccc4c(c3)OCO4)CC2)c1 12440724 YLHPMDOCODBARN-UHFFFAOYSA-N 434.514 2.345 0 40 IEAB O=S(=O)(Cc1ccccc1)N1CCN(Cc2nc3ccc(Cl)cc3n2CCO)CC1 12627505 AXQDMNGBVIGQFZ-UHFFFAOYSA-N 448.976 2.330 0 40 IEAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(C(F)(F)F)cc1 12759519 IPQPSPKSNLPJTB-LBPRGKRZSA-N 425.432 2.491 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)NC(=O)N[C@H]1C 13985865 GNBVBVXFAFHRHM-NSHDSACASA-N 430.436 2.304 0 40 IEAB CCCCn1c(N)c(N(CC)C(=O)CN(Cc2ccco2)Cc2ccco2)c(=O)[nH]c1=O 15448584 YMXGJNAZWDNUED-UHFFFAOYSA-N 443.504 2.160 0 40 IEAB O=C([C@@H]1CCCO1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343622 ZJIIOYLHBBGZEX-BEFAXECRSA-N 428.558 2.275 0 40 IEAB COc1ccc(CC(=O)N2CCC[C@@]3(C2)CN(S(C)(=O)=O)Cc2ccccc2O3)cc1 19554203 FBAIJXDLEIERCA-HSZRJFAPSA-N 444.553 2.453 0 40 IEAB Cn1cc2c(n1)[C@@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CN(C(=O)c1ccccn1)C2 19701281 BQESLIGRQOLRTO-FQEVSTJZSA-N 448.502 2.043 0 40 IEAB CC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 21682319 YMJFGIVTQXFCDE-UHFFFAOYSA-N 429.420 2.372 0 40 IEAB CCN1CCN(C(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 22232790 DATGYYCWYIGUIZ-UHFFFAOYSA-N 449.548 2.335 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3nc(C)cs3)CC2=O)cc1 23131027 WTDQBBWKLWSKBL-AWEZNQCLSA-N 436.559 2.474 0 40 IEAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 24354077 SDWIITYJBALPJO-HSZRJFAPSA-N 446.507 2.316 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c1 24576623 RSYXELUFTYZJPH-ZDUSSCGKSA-N 429.458 2.065 0 40 IEAB CC(=O)Nc1nc(COC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)cs1 30402758 NDXYSADPKQSCDH-UHFFFAOYSA-N 436.449 2.451 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)O)c3c[nH]c4ccccc34)CC2)cc1 32090228 XOCLVZCXEYEQFY-HXUWFJFHSA-N 429.498 2.309 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCN(c2nccs2)CC1 32888996 MSMZPANGMKUBHS-GFCCVEGCSA-N 448.492 2.178 0 40 IEAB CSCC[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)N=c1[nH]c2ccccc2[nH]1 36596900 UREICCCUUVWLGW-QAPCUYQASA-N 426.498 2.001 0 40 IEAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 40017309 CZKLDJDKUQFYCG-AWEZNQCLSA-N 425.890 2.463 0 40 IEAB COC(=O)c1cc(-c2csc(NC(=O)[C@@H]3CS[C@@]4(C)CSCC(=O)N34)n2)c[nH]1 40150372 IXZFRPAEPQAXFC-SJCJKPOMSA-N 438.556 2.270 0 40 IEAB CCOc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccc(OC)cc3)ccc2=O)cc1 49421681 OQVRWEZZGYXZSH-UHFFFAOYSA-N 443.481 2.122 0 40 IEAB C[C@@H](CCc1ccccc1)NC(=O)Cn1cccc(-c2nc(-c3cnccn3)no2)c1=O 77100851 ZAVKRXHLHMCLBZ-INIZCTEOSA-N 430.468 2.493 0 40 IEAB COc1ccc(-c2nn(CCCC(=O)NCCCn3cccn3)c(=O)cc2OC)cc1 96100884 NNAFOBWGNNFZJK-UHFFFAOYSA-N 425.489 2.111 0 40 IEAB O=C(NCCn1ncccc1=O)C1CCN(c2cc(-n3ccc4ccccc43)ncn2)CC1 96124050 BZDCMRSWKOQAAF-UHFFFAOYSA-N 443.511 2.010 0 40 IEAB CCS(=O)(=O)[C@@](Br)(I)C(=O)c1ccc(N)cc1 96518550 WEXZDLARTHYKEA-JTQLQIEISA-N 432.077 2.370 0 40 IEAB Cc1cc(NC(=O)CN2CCN(C(=O)C3(C)CCN(Cc4ccccc4)CC3)CC2)no1 97109046 MLBVAMBVZONJAT-UHFFFAOYSA-N 439.560 2.368 0 40 IEAB COC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 100943167 YFSJRTTWSAIOHL-GDBMZVCRSA-N 428.242 2.356 0 40 IEAB COc1ccc(CC(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nccs3)n2C)cc1 108149421 RTHOMJUDWALHHS-GFCCVEGCSA-N 446.558 2.431 0 40 IEAB CCOc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(OC)cc2)S(C)(=O)=O)cc1 223708141 ASLKWWUMHFEFQT-INIZCTEOSA-N 436.530 2.444 0 40 IEAB CC(=O)N1CCN([C@@H]2CCC[C@@H](NC(=O)c3ccc(-c4ccc(F)cc4)o3)[C@H]2O)CC1 257229037 FWKUGIGAPDDUDH-WOIUINJBSA-N 429.492 2.262 0 40 IEAB Cc1cnn(CC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(N)=O)C2)c1 257258784 KVNLFQIWEKHHDI-YOEHRIQHSA-N 435.322 2.126 0 40 IEAB COc1ccc(CN2CC[C@@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)cc1 306141628 WCFNALFOIWQMLJ-XMMPIXPASA-N 438.576 2.439 0 40 IEAB COC(=O)c1cc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(C(=O)OC)c1 408625449 VEKPYJRHSZIZJH-UHFFFAOYSA-N 448.497 2.281 0 40 IEAB O=C(NC[C@](O)(c1ccsc1)c1ccco1)C(=O)Nc1cccc(N2CCCC2=O)c1 585147577 LLKSSOYHADDUST-QFIPXVFZSA-N 439.493 2.459 0 40 IEAB C[C@H]1COCCCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C(=O)N[C@@H](C)C(=O)N1 643564888 LRNMHAVIKQGAGS-IRXDYDNUSA-N 433.524 2.258 0 40 IEAB COC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(C)cc2)cc1 709403 HDGLTONWMJPUQZ-UHFFFAOYSA-N 434.452 2.369 0 40 IEAB CCCS(=O)(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)c3ccc(OC)cc3)C1)C2 5392801 VGXOOENWBZNIAW-DOTOQJQBSA-N 445.541 2.268 0 40 IEAB biogenic,in-vitro CCc1nc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 9129958 OIPPZIXUEUHPHN-UHFFFAOYSA-N 426.542 2.440 0 40 IEAB COc1ccccc1CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 9491901 HRSZBLNOMSARJE-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB COc1ccc(C2=NC3(CCN(CC(=O)Nc4ccc(F)cc4F)CC3)NC2=O)cc1 9526768 NSUBVMADYZYWKZ-UHFFFAOYSA-N 428.439 2.323 0 40 IEAB O=C(NCCC1=CCCCC1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 10219802 KBXVOYJPWZWQNU-UHFFFAOYSA-N 446.504 2.385 0 40 IEAB CCOc1ccccc1C(=O)NCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 11077509 BFFMDIMYAPTZCU-UHFFFAOYSA-N 425.533 2.386 0 40 IEAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 12221082 XWOINGJWLHJMBG-IBGZPJMESA-N 443.573 2.340 0 40 IEAB Cc1nc(-c2ccc(NC(=O)CCCn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cs1 12541506 YUEWFXIFKOWUNV-UHFFFAOYSA-N 438.513 2.285 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CCc1nc2ccccc2[nH]1 12556720 IPZKRGQENYMPHE-INIZCTEOSA-N 429.546 2.327 0 40 IEAB Nc1nc(COC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)nc2ccccc12 12641523 BFQFZBIIZYYUIV-OAHLLOKOSA-N 442.497 2.026 0 40 IEAB COC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2cccs2)cc1 13506368 WHYWYMUTOJYTJO-UHFFFAOYSA-N 443.525 2.357 0 40 IEAB CC[C@H](C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)N(c1ccccc1)S(C)(=O)=O 13711681 UNAGOFBUTKVZCP-GOSISDBHSA-N 448.497 2.443 0 40 IEAB Cc1nn2c([C@@H]3CCN(C(=O)COc4ccc(F)cc4)C3)ccnc2c1Cn1cncn1 19707655 BTLPSTOANPJQKA-MRXNPFEDSA-N 435.463 2.212 0 40 IEAB O=C(Cn1cc(C(=O)N2CCCC[C@@H]2CN2CCCC2)ccc1=O)Nc1nccs1 19750937 QMJCXYHXEXWGIL-QGZVFWFLSA-N 429.546 2.034 0 40 IEAB COCCNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@@H](C)[C@@H]2[C@H]1O 20467019 BUFJXOBYTAXRDH-ILRDCQBQSA-N 431.577 2.402 0 40 IEAB biogenic,in-vitro Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@H]3c3ccccc3Cl)ccc21 21791637 MKKCFXXBJVGCGW-INIZCTEOSA-N 433.917 2.416 0 40 IEAB CCOc1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 23654325 DXHLXGVEQHIPKK-HVPFBLEYSA-N 431.489 2.456 0 40 IEAB O=C(Cn1cccc2c(=O)n(Cc3ccccn3)c(=O)nc1-2)Nc1ccc(F)c(Cl)c1 32616231 CUUJQYULMZFOFJ-UHFFFAOYSA-N 439.834 2.384 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 32850765 VOAFJQRHPOSBMM-UHFFFAOYSA-N 432.285 2.018 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 32945097 OXKOPELFGLGORG-SFHVURJKSA-N 438.480 2.436 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1OC 35597272 JKBQXDZBXNMKJH-SOFGYWHQSA-N 434.500 2.350 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 46628670 OGRZRRJADSUKGX-UHFFFAOYSA-N 429.926 2.039 0 40 IEAB Cc1ccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5cc(C)on5)nc34)n2)cc1 57503436 BHFGDNOZIAGFDY-UHFFFAOYSA-N 431.412 2.457 0 40 IEAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1 96232758 HJPNXOXXHNMJLR-NRFANRHFSA-N 436.512 2.245 0 40 IEAB O=C(CNC(=O)c1cccc(F)c1)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 96855747 YTTBKRPWWBCNAG-GZTJUZNOSA-N 427.457 2.408 0 40 IEAB O=C1[C@@H]2CCC[C@@H]1CC(C(=O)N1CCN(S(=O)(=O)c3c(F)cccc3F)CC1)C2 103010643 WVTKIOXIUYJAFE-ZIAGYGMSSA-N 426.485 2.193 0 40 IEAB Cc1ccccc1-c1nnc(SCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)n1C 108721851 JHJIKDHMGJCHLB-UHFFFAOYSA-N 441.542 2.462 0 40 IEAB CC(=O)NCC(=O)N1CCO[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 257242522 ICXVMUCKYWXVOR-SFHVURJKSA-N 440.422 2.086 0 40 IEAB O=C(O)COCC(=O)N[C@@H]1CCC[C@@H](Oc2cccc(F)c2Oc2ccccc2)[C@@H]1O 257339312 ZBFITOBSRPSDDP-CBGDNZLLSA-N 433.432 2.496 0 40 IEAB COC(=O)c1cc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(C(=O)OC)c1 408606714 LSKRZZNXRLYCTO-UHFFFAOYSA-N 448.497 2.281 0 40 IEAB Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NCCn3nc4c(cc3=O)CCCC4)n2)cc1 585149983 IASUYNJQDCAXLR-QGZVFWFLSA-N 433.512 2.032 0 40 IEAB Cc1coc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)c(C)c3cc12 2111197 MIPWNHPPGODEFF-KRWDZBQOSA-N 442.468 2.430 0 40 IEAB biogenic CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CSCC(=O)Nc1cc(C)on1 8825469 COHCXMFORUUXIO-UHFFFAOYSA-N 437.474 2.202 0 40 IEAB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 8879794 WKVZUSXNKBVTFE-UHFFFAOYSA-N 448.497 2.268 0 40 IEAB O=C([C@@H](Cc1c[nH]c2ccccc12)n1c(O)nc2ccccc2c1=O)N1CCC[C@@H]1CO 9136083 UBLSWCSNWVECMC-IIBYNOLFSA-N 432.480 2.351 0 40 IEAB biogenic COc1ccc(Cn2nnnc2SCC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 9218226 AYVAXCQRTZZTML-UHFFFAOYSA-N 441.513 2.252 0 40 IEAB Nc1c(C(=O)CSc2nc3c(n2-c2ccccc2)CCCC3)c(=O)[nH]c(=O)n1C1CC1 9467819 YYPXZSUQKMXXHJ-UHFFFAOYSA-N 437.525 2.493 0 40 IEAB Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1I 9508436 RPUNOCYIOZQLAN-UHFFFAOYSA-N 427.242 2.403 0 40 IEAB O=C1COc2ccc(C(=O)COC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)cc2N1 9788600 OKLVVIZTFJRLQT-UHFFFAOYSA-N 425.365 2.054 0 40 IEAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851767 GEYPBEPEEWLXPQ-GOSISDBHSA-N 443.511 2.386 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 10791145 NIESGPGUYWGHDX-CYBMUJFWSA-N 433.486 2.079 0 40 IEAB O=S1(=O)CC[C@@H](n2nc(-c3ccc(Cl)cc3)cc2NS(=O)(=O)c2c[nH]cn2)C1 11795834 DYDGHMZILLGZKN-CYBMUJFWSA-N 441.922 2.087 0 40 IEAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)Cn4nc(C)c5ccccc5c4=O)C3)cc2n1 12134594 BCXUBGSMHOHGQX-MRXNPFEDSA-N 446.511 2.422 0 40 IEAB COc1ccccc1NC(=O)c1cnc(SCC(=O)NCc2ccccc2)n(C)c1=O 12236925 SLBJUUNHHDGKJA-UHFFFAOYSA-N 438.509 2.450 0 40 IEAB COc1ccc(CN2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cc1CN1CCOCC1 12329008 JMDDWFSTKHNBOC-UHFFFAOYSA-N 447.539 2.231 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 12558217 TZRGHKXPBYLMSM-SFHVURJKSA-N 432.546 2.041 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1 12625664 SWNGARKFANJPOZ-UHFFFAOYSA-N 444.553 2.298 0 40 IEAB COc1ccc(/C=c2\sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)c(OC)c1 13748374 AEMZMNZKLUBYQP-ZDLGFXPLSA-N 425.466 2.400 0 40 IEAB CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 14033679 JBEZDPHMTPJNGL-OWCLPIDISA-N 426.542 2.211 0 40 IEAB CCOc1ccc(CCNC(=O)COC(=O)CNC(=O)c2ccccc2F)cc1OCC 15912552 JZJYLJLWIYGGLP-UHFFFAOYSA-N 446.475 2.255 0 40 IEAB Cn1c(=O)c2ccccc2n2c(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)nnc12 19532700 YMCUIVKSGYXOPQ-UHFFFAOYSA-N 443.433 2.317 0 40 IEAB CNC(=O)[C@@H]1CN(Cc2cccc(OC)c2OC)C[C@H]1c1ccnc(N2CCCC2)n1 19591947 RULNJEPCXBEDTB-QZTJIDSGSA-N 425.533 2.056 0 40 IEAB CCc1nc(C)c(C(=O)N2CCc3c(nc([C@H]4CCCN(C(C)=O)C4)nc3NC)C2)o1 19708531 WRVQFOGJYGMLHI-HNNXBMFYSA-N 426.521 2.302 0 40 IEAB COc1ccc(Nc2nc(N3CCN(CCO)CC3)nc3c2C(=O)CC(C)(C)C3)cc1 20503112 JXDQEBMQQIZZDV-UHFFFAOYSA-N 425.533 2.498 0 40 IEAB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN([C@H]1C=CS(=O)(=O)C1)CO3 20624739 RTNRTHAPVVPUNQ-AWEZNQCLSA-N 433.482 2.060 0 40 IEAB CCOc1ccc(-n2ccn(CC(=O)Nc3cc(OC)cc(OC)c3)c(=O)c2=O)cc1 22726169 GWMNINJXZZTMTH-UHFFFAOYSA-N 425.441 2.054 0 40 IEAB CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)c2ccccc2O1 23174159 WZPRXJJVWAVGMO-HXUWFJFHSA-N 432.498 2.330 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cn3cnc4ccccc43)CC2)cc1 25426639 OTZPKGUDIUGFAZ-UHFFFAOYSA-N 428.514 2.177 0 40 IEAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(O)c2)N1[C@H]1CCS(=O)(=O)C1 27757620 RMZWSYCVHIGJJN-RNODOKPDSA-N 425.466 2.220 0 40 IEAB CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)n(C)c1 28442954 VTOXZOLFNRKPAP-UHFFFAOYSA-N 432.546 2.203 0 40 IEAB CCCCn1c(=O)[nH]n(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1=S 32935491 JNCVJCMYXJKLEK-UHFFFAOYSA-N 445.998 2.125 0 40 IEAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCN(C(=O)OC(C)(C)C)CC1)cn2CC(=O)O 36356859 DNUDWYFJFZDQSU-LJQANCHMSA-N 447.488 2.413 0 40 IEAB Cc1cccc(-c2nnc(S)n2CC(=O)N2CCC(NC(=O)c3ccncc3)CC2)c1 40135062 JKMZSBYCMFUADY-UHFFFAOYSA-N 436.541 2.358 0 40 IEAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)C(=O)NC(C)(C)C 48302676 XHMGBNWONWAWFK-QAPCUYQASA-N 449.548 2.135 0 40 IEAB CCN1C[C@@H](c2cc(NCCO)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)CC1=O 72353518 YVVANEWPSFNLEO-ZDUSSCGKSA-N 442.907 2.375 0 40 IEAB CCOC(=O)N1CCC(NC(=O)CCc2ncc(-c3ccc(S(C)(=O)=O)cc3)o2)CC1 95946521 BOAHJYRQEYLVFN-UHFFFAOYSA-N 449.529 2.415 0 40 IEAB O=c1c2ccccc2c(CNS(=O)(=O)Cc2ccc(F)cc2)nn1CCN1CCCC1 96024238 NFTOFYYOYZZYEW-UHFFFAOYSA-N 444.532 2.251 0 40 IEAB CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 108204973 IZHWGEWXDGHMMI-AWEZNQCLSA-N 444.395 2.060 0 40 IEAB C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)c1ccccc1 138860115 BEQOIITXEOVCIS-GOEBONIOSA-N 443.887 2.254 0 40 IEAB O=C(CC1CCOCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257217310 CYLGNCBWQJQTNY-VDKIKQQVSA-N 430.589 2.493 0 40 IEAB O=C1c2ccccc2C(=O)N1CSc1nnc(CN2CCOCC2)n1-c1ccccc1 408542097 GRIREVICEZWAEX-UHFFFAOYSA-N 435.509 2.445 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 408620883 KCIIXHAKXGCUNO-UHFFFAOYSA-N 445.585 2.440 0 40 IEAB C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccccc2Cl)C1=O)N1C(=O)NC2(CCCC2)C1=O 521927649 PXMJSLRGEPTEOK-BBRMVZONSA-N 432.908 2.157 0 40 IEAB CC(C)(C)c1ccc(OCC2CCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)CC2)nn1 1775966273 ZTMDLYHMMBBVEP-SFHVURJKSA-N 444.576 2.419 0 40 IEAB CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)CNC(C)=O 8690861 CMTXEHGJUOSCAV-OAQYLSRUSA-N 431.558 2.497 0 40 IEAB COCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(Br)cc2)n(C)c1=O 8710190 BFHUGBIQUUGFCQ-GFCCVEGCSA-N 448.321 2.093 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 9225922 ALBLYKYEIVOYNR-MRXNPFEDSA-N 431.514 2.142 0 40 IEAB O=c1[nH]c(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)nc2ccccc12 9410971 CPXYKDPSLRJMNE-IRXDYDNUSA-N 426.523 2.198 0 40 IEAB COc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 9526007 BMPRZHXASKBYBD-OAHLLOKOSA-N 438.436 2.266 0 40 IEAB CN(C)[C@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccc(Cl)cc1 11998211 XZLQMGCWQQNXCM-GOSISDBHSA-N 435.933 2.439 0 40 IEAB CCn1c(=O)n(CCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c2ccccc21 12263404 BPOXNWYARPJALJ-UHFFFAOYSA-N 428.514 2.392 0 40 IEAB O=C(NC1CCC(O)CC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 12543187 AWCWQOMEKNLDLK-UHFFFAOYSA-N 435.590 2.495 0 40 IEAB CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1 12995649 HXCZDEYLWJZDNA-UHFFFAOYSA-N 432.546 2.287 0 40 IEAB COc1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1S(=O)(=O)NC1CC1 14093331 ZBDVYWTZVDFYPT-IBGZPJMESA-N 429.542 2.140 0 40 IEAB COc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 14869029 ALEGQAWMSFFKBL-CALCHBBNSA-N 448.541 2.302 0 40 IEAB CCc1ccc(CN(C(=O)C2=C[C@H]3C=CC=C[C@@H]3OC2=O)[C@H]2CCS(=O)(=O)C2)cc1 16734924 IGOMAWOSTUZDRY-DYXWJJEUSA-N 427.522 2.359 0 40 IEAB Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CCOC4)[nH]c(=O)c3C2)s1 19217006 WAXBHYZBKZCCBL-WMLDXEAASA-N 442.541 2.038 0 40 IEAB Cn1cc(CN2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(C(=O)c3cccs3)CC4)C2)cn1 19290684 UEPCTNKWLSYJKH-INIZCTEOSA-N 438.557 2.143 0 40 IEAB COc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(C(=O)CCn4ccccc4=O)C3)c2N)cc1 19558643 WJZLRZJHXFVQBF-QGZVFWFLSA-N 449.511 2.136 0 40 IEAB COc1cccc([C@]2(O)CCC[C@@H]3CN(C(=O)c4cnc(N5CCOCC5)nc4)C[C@@H]32)c1 19565046 IZKDBIFUIBSLHB-QATBIIFWSA-N 438.528 2.082 0 40 IEAB CN1CCN(C(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)[C@@H](c2ccccc2)C1 19751176 HJMOWQWUMACWGI-JOCHJYFZSA-N 436.556 2.426 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19762281 ATRFCQSRASQDKC-IBGZPJMESA-N 443.529 2.039 0 40 IEAB Cc1ccc(N2C(=O)[C@@H]3CN[C@]4(C(=O)Nc5ccc(Br)cc54)[C@@H]3C2=O)cc1 23109612 ZWGQGNLBFCJSOG-PSGMQZRDSA-N 426.270 2.314 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 24612674 OVLXDOUKZMMSBI-UHFFFAOYSA-N 434.489 2.413 0 40 IEAB CCOC(=O)C1=C(Cn2nc(-c3cccs3)oc2=O)NC(=O)N[C@@H]1c1cccs1 25211239 CZVKNYMDZCNMCB-CQSZACIVSA-N 432.483 2.498 0 40 IEAB O=C(CCc1nc(-c2cccnc2)no1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 40082268 IJDOHFUKENNYAZ-UHFFFAOYSA-N 427.411 2.327 0 40 IEAB CN1CCN([C@@H](CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c2cccs2)CC1 48302938 PGANBLVUIICQOW-OALUTQOASA-N 433.622 2.081 0 40 IEAB O=C(NCCc1ccccc1F)C1CCN(C(=O)Nc2ccc(-n3cncn3)nc2)CC1 48311295 QAUPFOSMBDBWRT-UHFFFAOYSA-N 437.479 2.404 0 40 IEAB O=C(NCc1cccnc1OC1CCCC1)c1ccccc1S(=O)(=O)N1CCOCC1 48324359 ZDOMULUNGIYCRX-UHFFFAOYSA-N 445.541 2.354 0 40 IEAB COc1ccc(OC)c(CCN2CC(=O)N(c3cccc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 57747577 SOEDQITZAAGEPL-LEWJYISDSA-N 444.553 2.069 0 40 IEAB CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1nc(S(C)(=O)=O)n2ccccc12 60335818 VKGHOKAVRYZQMF-CQSZACIVSA-N 436.534 2.257 0 40 IEAB CC(C)[C@H]1C(=O)N(CC(=O)NCC(=O)OCc2ccccc2)C(=O)N1Cc1ccccc1 68606539 ZGCDTJRFNMTOKY-QFIPXVFZSA-N 437.496 2.335 0 40 IEAB biogenic Cc1ccc(NC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)cc1N1CCCC1=O 70896330 GFXXHCQYOMLUCG-UHFFFAOYSA-N 435.528 2.488 0 40 IEAB COC(=O)[C@H](C)[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)c1ccccc1 72313092 BTAKYGWFVMDNLA-PXAZEXFGSA-N 444.506 2.026 0 40 IEAB COc1cc(C)ccc1OCC(=O)N1CCO[C@H](c2ncncc2-c2ccnc(N)c2)C1 72370853 HGOCLPOUOLGHLV-FQEVSTJZSA-N 435.484 2.417 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CCN(C(C)=O)C3)c2)cc1 84809373 LPQMVZGNFIZRGL-GOSISDBHSA-N 431.514 2.237 0 40 IEAB COC(=O)c1ccoc1CC1CCN(C(=O)CN2CCN(c3ccccn3)CC2)CC1 95451919 OLTAQSYAIACNPX-UHFFFAOYSA-N 426.517 2.065 0 40 IEAB CN1CCCN(C(=O)c2ncn3c(C4CCN(C(=O)c5ccoc5)CC4)ccnc23)CC1 96155710 REGJKJKJVKOPGR-UHFFFAOYSA-N 436.516 2.120 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)C3)cc2n1 100137850 JBGJFUUUCZZKIS-MRXNPFEDSA-N 428.514 2.096 0 40 IEAB O=C(C1CCC1)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C2CCOCC2)CC4)C1 100233644 PYZVGHFQLBMLNN-QGZVFWFLSA-N 439.560 2.478 0 40 IEAB NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 113938966 ZRXXTMAKJAOJQN-FQEVSTJZSA-N 437.477 2.381 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1)S(C)(=O)=O 222980405 HSOHORMUHNIFRC-FQEVSTJZSA-N 431.558 2.314 0 40 IEAB COc1ccc(CCCNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1OC 223335204 RENYSWLMUHQQKX-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 223875201 CGRVJPKHLKVHOW-UHFFFAOYSA-N 448.541 2.387 0 40 IEAB CCOC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224836337 QKMBMESRNHTYIK-UHFFFAOYSA-N 449.481 2.311 0 40 IEAB CCSc1nnc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 225182604 ZCQUDTQEPWJYMM-SNVBAGLBSA-N 444.560 2.215 0 40 IEAB COc1ccc([C@@H](CC(=O)NCCc2ccc(OC)c(OC)c2)NS(C)(=O)=O)cc1 225954938 VFNWVBPAFHCQID-GOSISDBHSA-N 436.530 2.052 0 40 IEAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@@H](Oc2cc(C)n(C)c(=O)c2)C1 238923477 UJPWPCFHSGCJKN-GOSISDBHSA-N 435.480 2.147 0 40 IEAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1 257286206 PKSLPRLYSSNKDT-DEOSSOPVSA-N 439.560 2.021 0 40 IEAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCCn4ccnc4)[C@H](O)[C@@]3(O)[C@@H]1C2 257313377 USDNMDAXJKWLQM-MIULDMEKSA-N 427.501 2.000 0 40 IEAB CCc1ncnc(O[C@H]2CCN(C(=O)CN3CCN(c4ccccc4OC)C3=O)C2)c1F 575613541 RUGRWJOONZHYMT-HNNXBMFYSA-N 443.479 2.109 0 40 IEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)cc2O1 604404142 DECBKVDKDDDEKS-HLLBOEOZSA-N 442.512 2.374 0 40 IEAB biogenic CO[C@@H]1CC(=O)[C@H]2[C@H]3C(=C(/C=C/C=C/C=C/C(=O)O)O[C@@H]31)C(=O)O[C@@H](C)CCC[C@H]2O 1772591672 KZMINERHJZACPQ-DKUUCRKNSA-N 432.469 2.089 0 40 IEAB O=C(NCc1ccc(F)cc1)[C@H]1C[C@@]2(CO1)CN(Cc1ncc(C(F)(F)F)[nH]1)CCO2 2056226260 OAFPRTZABPKXRB-BEFAXECRSA-N 442.413 2.244 0 40 IEAB CC[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 678552 IBBXUMWEWWIKAS-AAEUAGOBSA-N 438.937 2.407 0 40 IEAB O=C(NC[C@@H]1CCCO1)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(S)nc2c1 3051715 PMKXKTCDXITRPC-HNNXBMFYSA-N 439.493 2.371 0 40 IEAB COc1ccc2c(c1)[C@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2CCc1ccccc1 6073681 NYAWLJPMLFPPNI-QFIPXVFZSA-N 438.509 2.440 0 40 IEAB COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccccc4F)CC3)CC2=O)cc1OC 9568828 MPKVOBSJANDFLL-INIZCTEOSA-N 442.491 2.480 0 40 IEAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1Cc1ccccc1 9620118 GCPMCULGGWYYMG-CYBMUJFWSA-N 431.543 2.402 0 40 IEAB CC(C)Oc1ccc(C(=O)NCCS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 12422795 QNADGOWNYOPDNA-UHFFFAOYSA-N 445.585 2.351 0 40 IEAB COc1ccccc1[C@H](NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1nccn1C 12629258 HTEIXWGRFQLVCC-IBGZPJMESA-N 439.516 2.279 0 40 IEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(F)cc2Cl)c(=O)[nH]c1=O 12778939 GOFYLNRXEIEWFZ-UHFFFAOYSA-N 446.866 2.405 0 40 IEAB CCCc1noc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1 12825234 VNCXGJGJEYWPMM-UHFFFAOYSA-N 446.573 2.367 0 40 IEAB CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 12911297 YVQKPOKJGASPMA-HXUWFJFHSA-N 431.470 2.339 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccc(F)c(F)c1 13000835 IMXXQHNCCZLWTQ-UHFFFAOYSA-N 435.496 2.399 0 40 IEAB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(N)=O)n(C)c3)CC2)cc1Cl 13001773 VVEHLCURYOYEGR-UHFFFAOYSA-N 438.937 2.125 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)N(C)C)c2)C[C@@H](C)O1 13145813 BUPCBRFEJCHJPT-JTDSTZFVSA-N 435.546 2.110 0 40 IEAB NC(=O)c1cc2cc(F)ccc2nc1C1CCN(C(=O)CCN2C(=O)CSC2=O)CC1 13266644 SXKKNBIIQIQRAJ-UHFFFAOYSA-N 444.488 2.264 0 40 IEAB O=C(COc1ccc(F)cc1F)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13700668 SEMAEOLHLVNEJW-UHFFFAOYSA-N 440.410 2.390 0 40 IEAB CCCNC(=O)[C@H]1CN(C(=O)C2CCN(C(=O)c3ccco3)CC2)c2ccccc2O1 14184315 HYAZNHRTPUBTRN-HXUWFJFHSA-N 425.485 2.452 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)c1 17122404 OIZADHPDLMPEJF-OAHLLOKOSA-N 429.473 2.404 0 40 IEAB CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)COc3ccc(F)cc3)n2)CC1=O 19701026 UGVZFIFCAMGLEM-MRXNPFEDSA-N 443.523 2.443 0 40 IEAB Cc1nc([C@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2Cc1ccccc1 19740356 RVHNXNUPZUZIHH-GOSISDBHSA-N 429.546 2.208 0 40 IEAB Cn1cnc2ccc(NC(=O)Cn3cccc(C(=O)NCc4ccc(F)cc4)c3=O)cc21 19750706 SZGARSWCYZFEDJ-UHFFFAOYSA-N 433.443 2.443 0 40 IEAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)c2cc[nH]n2)CC1 19753726 WQLWRXMYCIUNMX-UHFFFAOYSA-N 436.516 2.177 0 40 IEAB COc1ccccc1CNC(=O)c1cn(C)nc1CC1CCN(C(=O)[C@@H]2CCCO2)CC1 19756263 HBUQNVGHVGDXNA-QFIPXVFZSA-N 440.544 2.319 0 40 IEAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)ncc1C(=O)N1CCCCC1 19763285 XLBCGYPQTPWSRA-KRWDZBQOSA-N 446.577 2.021 0 40 IEAB COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CN2CCN(C(C)=O)CC2)cc1=O 22698580 KTOHOBQPRITYTH-UHFFFAOYSA-N 446.935 2.122 0 40 IEAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CN1CCC[C@@H](C(N)=O)C1)CC2 29693423 GTITWPWGRJSADP-DVECYGJZSA-N 437.540 2.375 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 31632503 FABDKCYZBVZMNQ-NRFANRHFSA-N 426.498 2.132 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 32947403 OCTZOEUFXXNEOS-ZWKOTPCHSA-N 432.542 2.343 0 40 IEAB CCN(C(=O)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 33543652 DUUCZENNTGIQOI-QIAMAEBCSA-N 434.539 2.315 0 40 IEAB CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 36229192 TYCTVQFEZIWKOU-DZGCQCFKSA-N 446.953 2.115 0 40 IEAB COc1cccc(-c2nnc3ccc(OCCNC(=O)Cn4cnc5ccccc54)nn23)c1 38500100 AMQQVIZQFDQILS-UHFFFAOYSA-N 443.467 2.345 0 40 IEAB O=C(COC(=O)c1c(F)cccc1F)Nc1ccc(NC(=O)CN2CCOCC2)cc1 40049334 IYTSNPIFRCASHR-UHFFFAOYSA-N 433.411 2.031 0 40 IEAB COc1ccc(CCN2CC(=O)N(c3cccc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 57747548 NPRWCHHLFLIAAF-VQTJNVASSA-N 444.553 2.069 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656015 LPQHQXCYRPYZLB-GOSISDBHSA-N 433.516 2.354 0 40 IEAB Cc1c([C@@H]2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)N(C)S(=O)(=O)N2)cnn1C 72335063 RNKGTLXSMFTMGY-GJZGRUSLSA-N 432.333 2.254 0 40 IEAB CCn1c(C2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)nn(CCOC)c1=O 77147100 QPJNEFYYUBXNLV-UHFFFAOYSA-N 442.495 2.260 0 40 IEAB COc1ccccc1-c1ccc(=O)n(CC(=O)N2CCN(c3ccccc3OC)CC2)n1 95474998 RRFBFAIAQLQKEH-UHFFFAOYSA-N 434.496 2.276 0 40 IEAB O=C1c2ccccc2N2C(=O)CC[C@]2(C(=O)NC[C@@H](O)C(F)(F)F)N1Cc1ccccc1 95939824 UHPCKGZASBWLLC-UTKZUKDTSA-N 447.413 2.205 0 40 IEAB COC(=O)c1cccc(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 113964782 OINCSEBQTFFDHY-UHFFFAOYSA-N 448.497 2.429 0 40 IEAB CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224801843 IDJMRCDDVHKJPM-UHFFFAOYSA-N 437.470 2.249 0 40 IEAB CC(C)(C)c1ccc(CN2CCC[C@@H]3[C@H]2CCCCN3CC(N)=O)c(OCC(N)=O)c1 257270621 MUYMKVGFMGGPCF-WOJBJXKFSA-N 430.593 2.152 0 40 IEAB Cc1ccc(C(=O)N2CCN(C)C[C@@](O)(Cn3cccn3)C2)cc1NCc1ccncc1 257312324 UNKBBETYFXTSKU-DEOSSOPVSA-N 434.544 2.018 0 40 IEAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc(=O)n(C)c(=O)n3C)o2)c1 257317864 VLNDBCLSXHWHSW-SFHVURJKSA-N 438.484 2.039 0 40 IEAB O=C(CC1CC1)N1CC[C@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306143958 YRVWXOWRNJGAIJ-QFIPXVFZSA-N 427.526 2.436 0 40 IEAB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 408705230 ZXYZYPSROHQCKO-UHFFFAOYSA-N 434.470 2.371 0 40 IEAB O=C(NCC1CCCCC1)c1nnc2n1CCN1CCN(C(=O)Cc3ccccc3)C[C@H]21 585109889 HUNVJDWKYWWONE-HXUWFJFHSA-N 436.560 2.030 0 40 IEAB COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)oc1Cl 1661299902 KJIFEPYNLDDBKF-UHFFFAOYSA-N 430.841 2.005 0 40 IEAB COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cc1OC 691942 BUQFBMSWULXYGF-QGZVFWFLSA-N 434.514 2.342 0 40 IEAB CCS(=O)(=O)N1CCC[C@@H](c2nnc(S)n2-c2cnn(Cc3ccccc3)c2)C1 2809692 ACADUIZFAKAECY-MRXNPFEDSA-N 432.575 2.330 0 40 IEAB O=C(C[C@H]1CS(=O)(=O)C[C@@H]1CC(=O)NCCc1ccccc1)NCCc1ccccc1 6148536 UQVDCLFBCGJMAZ-VXKWHMMOSA-N 442.581 2.145 0 40 IEAB CC/C(NNC(=S)Nc1ccccc1)=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 9356214 DEMDYBQBITVOCH-MSUUIHNZSA-N 439.497 2.433 0 40 IEAB Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1Cc1ccc(Br)cc1 9608577 MULXNUSSMJWTEX-UHFFFAOYSA-N 430.262 2.330 0 40 IEAB COc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)c1 9675345 MWEISQKPEYZLKQ-IAGOWNOFSA-N 431.811 2.420 0 40 IEAB C[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)CCC2 9789350 FZQPKDQTOSSTDG-KGLIPLIRSA-N 434.587 2.400 0 40 IEAB Cc1ccc(N2C(=O)[C@H]3CN[C@@]4(C(=O)Nc5ccc(Br)cc54)[C@@H]3C2=O)cc1 10382117 ZWGQGNLBFCJSOG-ZSOFBXJNSA-N 426.270 2.314 0 40 IEAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1nn(C)c(=O)c2ccccc12 12182430 ZINKNDMCCVAZGB-OAHLLOKOSA-N 449.536 2.356 0 40 IEAB COc1cc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc(Cl)c1OCC(N)=O 12825222 BSGSKZHHRMLXLL-UHFFFAOYSA-N 431.876 2.270 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCC(C)CC3)CC2)cc1 13023413 GPJZOYYSHYUKSW-UHFFFAOYSA-N 437.606 2.334 0 40 IEAB C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13570083 IMUFDTRKOHFJKS-GFCCVEGCSA-N 430.511 2.204 0 40 IEAB COc1ccc(N(CC(=O)NCCCN2CCCC2)S(=O)(=O)c2ccccc2)cc1 13632465 GGRSHIHWCKLEPL-UHFFFAOYSA-N 431.558 2.493 0 40 IEAB Cc1c(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)oc2ccc(Br)cc12 14066462 PNTZLDGVQSOFLX-CQSZACIVSA-N 441.347 2.449 0 40 IEAB COc1ccc(CCNC(=O)Cn2nc(-c3cc(C)oc3C)cc(N)c2=O)cc1OC 19567756 LOZIDXKQGFNZOX-UHFFFAOYSA-N 426.473 2.078 0 40 IEAB CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)CN3CCCCCC3)n2)CC1=O 19697409 WPQJRPUFUKHVSD-SFHVURJKSA-N 430.597 2.101 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)CCc3ccccc3OC)C1)C2=O 19700780 TXIPPFIVWGOBIL-LJQANCHMSA-N 442.560 2.025 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 19834765 KQCLUGVIBVHNHD-UHFFFAOYSA-N 429.420 2.383 0 40 IEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22803304 YASBCVMOPPONCX-KRWDZBQOSA-N 436.512 2.297 0 40 IEAB CCS(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 22851712 GQDKXCJCSVDLBA-LJQANCHMSA-N 435.521 2.357 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1)c1ccc2c(c1)CCC2 24572866 WSYBBOXISVVLEH-UHFFFAOYSA-N 443.569 2.428 0 40 IEAB Cc1c(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cnn1-c1ccc(O)nn1 57644080 LAGTWCWUHQVLDL-HZPDHXFCSA-N 436.516 2.216 0 40 IEAB Cc1cc(C)n(-c2cncc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)n2)n1 58065432 BGOACADBJRKJKK-UHFFFAOYSA-N 438.557 2.279 0 40 IEAB Cc1cccc(Cn2c(=O)c3nscc3n(CC(=O)NCc3cccs3)c2=O)c1 65184923 DKKARBHLNGKTAN-UHFFFAOYSA-N 426.523 2.354 0 40 IEAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC 67287366 USXIPNHDXDDRHW-FQEVSTJZSA-N 433.505 2.369 0 40 IEAB CN(C)C(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C2=NNC(=O)CC2)CC1 72345261 ZHYOMINPQXRSCX-UHFFFAOYSA-N 447.539 2.254 0 40 IEAB Cn1nc([C@H]2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n(-c2ccccc2)c1=O 77100627 PYMAXPFBHMCOCM-AWEZNQCLSA-N 434.468 2.418 0 40 IEAB CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(C(=O)c1ccc3ccccc3c1)C2 96050462 CNTHAAGKVUQKPJ-XMMPIXPASA-N 431.496 2.053 0 40 IEAB COCc1n[nH]c(-c2cccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)c2)n1 96118202 OIMYIUWTIKVYLQ-KRWDZBQOSA-N 434.456 2.088 0 40 IEAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCc3nc4ccccc4n3C)C2=O)cc1 96231115 QYUUXIACOFPFKA-SFHVURJKSA-N 435.484 2.099 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1OCC 100556457 CVFZWGAGNLLUFN-IRXDYDNUSA-N 444.484 2.307 0 40 IEAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 104667845 IWNDPIZGSQAVPY-YXWQFLTLSA-N 427.457 2.012 0 40 IEAB CCc1ccc2c(c1)[C@@]1(N[C@@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 105348036 ZUBIIHQUYPUKHA-MTKRSLOGSA-N 425.529 2.073 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCCCN1CCCc3ccccc31)O2 219401622 POKDSRVGLXWZID-JOCHJYFZSA-N 443.569 2.481 0 40 IEAB Cc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1C 223990583 CCJQSUIQNPVQKZ-UHFFFAOYSA-N 434.514 2.036 0 40 IEAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 224843771 BKFPGHWXKXOWDF-UHFFFAOYSA-N 435.454 2.003 0 40 IEAB COc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc(Cl)c1O 409199890 FMUHVTAACWDADA-DKTFCQPKSA-N 426.878 2.386 0 40 IEAB CCC[C@H](C)N1C[C@H]2C(=O)NC3(CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)[C@H]2C1 585106180 AQAYOMFBRLONJG-DBVUQKKJSA-N 435.590 2.085 0 40 IEAB Cc1nc(N2C[C@@H]3CN(C(=O)C4(c5ccccc5)CCOCC4)C[C@H]3C2)nc(O)c1F 1888890665 RXZPEQXMFZHUEK-IRXDYDNUSA-N 426.492 2.273 0 40 IEAB O=S(=O)(c1ccccc1)N1CC[C@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888918239 GNKQHSZHVGYDJK-LBPRGKRZSA-N 427.408 2.233 0 40 IEAB O=C(CN(Cc1cccnc1)C(=O)Cn1nnc2ccccc21)Nc1ccc2c(c1)OCO2 1418838 VUXRAHLSTXOMGN-UHFFFAOYSA-N 444.451 2.223 0 40 IEAB CCOc1ccc(OC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1 2394591 YUEOONHLUJHTHY-SFHVURJKSA-N 431.466 2.090 0 40 IEAB O=C(c1ccc(Cn2nnc3ccccc3c2=O)cc1)N1CCN(C(=O)c2ccco2)CC1 2932866 YZLZSLLFYBXCNI-UHFFFAOYSA-N 443.463 2.031 0 40 IEAB COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1OC 3874118 MABODVGUOXUNNB-XMMPIXPASA-N 437.496 2.312 0 40 IEAB biogenic Cn1c(=O)c2c(SCC(=O)N3CCCC3)nc(-c3cccc(Cl)c3)nc2n(C)c1=O 8898397 OSPOIIWKZIWKDL-UHFFFAOYSA-N 445.932 2.062 0 40 IEAB CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)CCc3ccccc3)c2n1 8947463 OSTUXZXDCXBZJQ-UHFFFAOYSA-N 426.546 2.134 0 40 IEAB COc1ccc(OC)c(NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccc(C)cc2)c1 9120468 VESUGCIFEVIJIE-ZHACJKMWSA-N 448.497 2.084 0 40 IEAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 9155353 ZGNFBNQDXHXDTL-YOEHRIQHSA-N 434.587 2.330 0 40 IEAB COCCNC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2N[C@H]1c1ccc(OC)cc1 9238866 BEMXAHSIBSTORR-ZWKOTPCHSA-N 425.514 2.475 0 40 IEAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)NCc1ccccc1OC 9761914 FHWDPQRBVVSPOJ-UHFFFAOYSA-N 437.452 2.113 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc2n1CCO 10104080 SPSRZDGUXWQEGK-UHFFFAOYSA-N 436.299 2.114 0 40 IEAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)N1CCOCC1 11613395 MEHFSTSQONCSNB-CQSZACIVSA-N 431.905 2.131 0 40 IEAB C[C@@H]1Oc2ccccc2N(CC(=O)NCC(=O)Nc2ccccc2Br)C1=O 12926244 HIDZSYVKCGIKFS-LBPRGKRZSA-N 432.274 2.318 0 40 IEAB COc1cc(CNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC 15613823 IMPLCMAKUCCHEP-QKFKETGDSA-N 447.532 2.465 0 40 IEAB CN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)[C@H]1CCCc2ccccc21 18935301 UTTFZEWEQWDMQM-FQEVSTJZSA-N 432.524 2.370 0 40 IEAB O=C(C[C@@H]1CCCO1)N1CCC[C@@H]1c1nn(CCO)cc1-c1ccnc(N2CCCC2)n1 19404144 HQOHOQPEUPYBRE-FXAWDEMLSA-N 440.548 2.165 0 40 IEAB COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@@H]4CC(=O)N(C)C4)C3)cc2)cc1 19587201 DOOPEFNCOUHJQR-RLWLMLJZSA-N 449.551 2.477 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)c3cnn(C)c3C)CCO2)c1 19692799 ZYEBCCQWYSZIKM-HXUWFJFHSA-N 436.516 2.474 0 40 IEAB c1nc(NCCN2CCOCC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CCC4 20390750 VOTMZYIMJUXJCN-UHFFFAOYSA-N 440.573 2.309 0 40 IEAB S=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2CN1CCOCC1)Nc1ccc(-n2cccn2)cc1 20503813 AIFRDGZWBFFDTP-CNNODRBYSA-N 440.617 2.201 0 40 IEAB biogenic,in-vitro COc1ccc(N(CC(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1OC 22334281 QMRXVDLGPJDXFX-MRXNPFEDSA-N 436.530 2.362 0 40 IEAB O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(Cc2ccccc2)CC1 22664641 BCOZXEKSHSSLBV-IBGZPJMESA-N 436.512 2.091 0 40 IEAB COC(=O)c1ccc(CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 22996810 RNMRFVHKJDUBJJ-UHFFFAOYSA-N 445.541 2.340 0 40 IEAB O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23805013 XYXFZXBICWSLPF-UHFFFAOYSA-N 430.508 2.185 0 40 IEAB O=C(Nc1cccc(Cn2ccnc2)c1)c1sccc1S(=O)(=O)N1CCOCC1 25175936 QZBCAILYZMHCPP-UHFFFAOYSA-N 432.527 2.266 0 40 IEAB O=C(Nc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1)N[C@@H]1CCS(=O)(=O)C1 32088937 LWXSFPWSLZPXII-GOSISDBHSA-N 440.525 2.449 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccc(Br)o1)C(=O)NCCN1CCOCC1 32925711 MWSDDIOKJFYMEE-MWUSVVJHSA-N 442.354 2.035 0 40 IEAB CCOC(=O)CNC1(c2nnnn2-c2ccsc2C(=O)OC)C2CC3CC(C2)CC1C3 35170796 GDMJMTILMVXRBL-UHFFFAOYSA-N 445.545 2.315 0 40 IEAB COc1ccc(OCCN2CC(=O)N(c3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 36080510 KTXHKUGLLXNQPU-FCHUYYIVSA-N 444.553 2.205 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O)Nc1ccc(F)c(Cl)c1 65237408 APPCMBNZGCPQHH-UHFFFAOYSA-N 427.885 2.454 0 40 IEAB COc1ccc(-c2cc3nn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)n3c(C)n2)cc1 67226589 NFWMOUICTBEGTR-UHFFFAOYSA-N 433.424 2.242 0 40 IEAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1OC 67287363 USXIPNHDXDDRHW-HXUWFJFHSA-N 433.505 2.369 0 40 IEAB CN(C)[C@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1 77200648 JLMIIDAYXYPNTD-HXUWFJFHSA-N 437.587 2.198 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1OCC 102819538 BWNOUGUMJBHPKR-CALCHBBNSA-N 445.516 2.056 0 40 IEAB CC(=O)Nc1nnc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)s1 223229346 NOXOFCLWXIEGCK-UHFFFAOYSA-N 428.546 2.441 0 40 IEAB O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(F)cc1 224378787 NUOQJSCQAVAYRD-UHFFFAOYSA-N 442.534 2.358 0 40 IEAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCN(c3ncccn3)CC2)cc1OC 253404335 QYJRDNPISRNEJU-AWEZNQCLSA-N 439.472 2.165 0 40 IEAB biogenic,in-vitro Cc1nc(C)n(CC(=O)N2CCO[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)n1 257270193 MTCUFKSAEGPCPY-HXUWFJFHSA-N 444.923 2.493 0 40 IEAB CN(CC(=O)NC[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc2ccccc2c1 260903685 PWRVFKUERYWNSP-SFHVURJKSA-N 426.494 2.417 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccnc4OC)C[C@H]2C3)cc1 306135408 OPZZYQAJTFWXKK-SJORKVTESA-N 434.500 2.247 0 40 IEAB COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)cccc1OC 408534384 SEBMVEYTSAONKF-OVCLIPMQSA-N 437.470 2.483 0 40 IEAB O=C(Cn1c(=O)oc2ccccc21)N1CCC[C@H](COc2ncc(Br)cn2)C1 1775969853 OQWJFIUTAMCJME-ZDUSSCGKSA-N 447.289 2.465 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@@H]4C3)ncn2)n1 2086896637 GTTXQSRXCAHLQK-IRXDYDNUSA-N 442.520 2.175 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@H]4C3)ncn2)n1 2086896736 YMSTYXHFMZYERI-IAGOWNOFSA-N 442.520 2.175 0 40 IEAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 2475025 YBSWUESUOHVIAL-UHFFFAOYSA-N 430.511 2.478 0 40 IEAB COCCNC(=S)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 6239059 SRJSWFVZPFAAKW-UHFFFAOYSA-N 429.498 2.415 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)[C@H]1COc2ccccc2O1 8735286 RIXIXXNNOBCNIL-IRLDBZIGSA-N 432.480 2.329 0 40 IEAB CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)N(NC(=O)c2ccncc2)C1=S 9076093 BVUUEBMELJACCO-OAHLLOKOSA-N 431.905 2.226 0 40 IEAB CC[C@H](C)NC(=O)Cn1c(=O)n(-c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccccc21 9616004 AASYVTMIPGSSTL-AWEZNQCLSA-N 441.484 2.093 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC2CCCCC2)cc1 9744777 IUHNVKHAGAVJQO-IBGZPJMESA-N 435.590 2.493 0 40 IEAB CCOCCN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc3ccccc23)c(=O)n1C 10047777 NQPCUKGZJBHRFE-UHFFFAOYSA-N 446.511 2.331 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nnnn1-c1ccccc1 12292797 CTZLVQFIUYRJSG-UHFFFAOYSA-N 429.458 2.197 0 40 IEAB COc1cc(C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2cccc(F)c2)cc(OC)c1OC 13058285 WOFYDSAXFQMJHB-LBPRGKRZSA-N 434.420 2.152 0 40 IEAB CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)NC1CCCC1 13517842 RAVGTDSFPDACBK-UHFFFAOYSA-N 431.518 2.108 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccc(Cl)c3)CC2)c1 17063480 LZIGRXKHCQGAAX-UHFFFAOYSA-N 449.960 2.220 0 40 IEAB CC(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)CC1 19017824 KNJGTYWTWMEUDV-DHIUTWEWSA-N 437.515 2.447 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3scnc3C)CC1)C2=O 19700682 HMAOAKCDKQQFHL-UHFFFAOYSA-N 433.578 2.100 0 40 IEAB CNc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2c1CN(C(C)=O)CC2 19710612 PTFKYDFCNWTECI-OAHLLOKOSA-N 447.536 2.130 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCCN2CCOCC2)cc1 19991817 LQUMJLILSXTZBW-UHFFFAOYSA-N 431.558 2.272 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)Oc2ccccc21 20042439 YHSCEOMWQSVSTO-LJQANCHMSA-N 429.498 2.369 0 40 IEAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@@H]3c1cccnc1 20308305 GCUBUTBPKRYEFM-OAQYLSRUSA-N 435.480 2.464 0 40 IEAB CCOC(=O)N1CCN(Cc2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)CC1 20518553 XEQIOGCXSGPPIX-UHFFFAOYSA-N 430.534 2.464 0 40 IEAB COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1F 21682560 FQDGRNNEDHDRJW-UHFFFAOYSA-N 437.493 2.137 0 40 IEAB Cc1nn(Cc2ccc(C(=O)N[C@H](C)CN3CCOCC3)o2)c(C)c1Br 22469322 NKLSSTZOBZLYDU-GFCCVEGCSA-N 425.327 2.354 0 40 IEAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1ncc(-c2ccccc2)o1 23817501 HVBSLZFOVNWPBV-UHFFFAOYSA-N 426.425 2.498 0 40 IEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 24682622 DKDGLNYSUZIQBL-QGZVFWFLSA-N 447.557 2.159 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)cc1C 25767239 QSOOIFOLZKTFJG-UHFFFAOYSA-N 445.585 2.359 0 40 IEAB COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccccc1 40391263 SVLFMHOZNCUXHX-UHFFFAOYSA-N 427.424 2.032 0 40 IEAB COc1ccc(CCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 65086443 CLAQLZWOBSYQLN-UHFFFAOYSA-N 448.541 2.087 0 40 IEAB O=C(CN1CC[C@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCCc1cn[nH]c1 72327691 OGKCFQOOMINVQN-OAQYLSRUSA-N 430.892 2.139 0 40 IEAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 84637102 ZEFTUIRMYKYBTQ-LKUPVBHCSA-N 432.542 2.386 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 225206402 FLHBYFNJSRELNF-GOSISDBHSA-N 431.558 2.396 0 40 IEAB C[C@H]1Cc2ccccc2N1CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225563874 DUZISGIVEAENCU-SFHVURJKSA-N 443.569 2.279 0 40 IEAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 226040100 AZKRAGNGMBYEAJ-UHFFFAOYSA-N 443.569 2.294 0 40 IEAB C[C@@]1(C(=O)N2CCOCC2)CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CCO1 257221266 DOFKNAODCYFVMW-DEOSSOPVSA-N 439.512 2.367 0 40 IEAB CC(=O)NCC(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 257318031 VMFDYKVBNKMGBE-SFHVURJKSA-N 440.422 2.086 0 40 IEAB CCc1nccn1CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257339163 ZALBTNMKLZEQLF-WRALFONMSA-N 440.588 2.135 0 40 IEAB CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(C(=O)Cc3ccccc3C)CC1)COC2 306138707 SEUSRFBDFVIIAH-SFHVURJKSA-N 439.560 2.497 0 40 IEAB COc1ccc(CNC[C@@]2(O)CN(C(=O)Cc3ccc(Cl)cc3)CC[C@@H]2O)c(OC)c1 585283015 AOMRATYCCRQITM-JTHBVZDNSA-N 448.947 2.014 0 40 IEAB O=C(NCCn1ccnc1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595857 OTHOXNGQEZYGBI-URVUXULASA-N 428.508 2.247 0 40 IEAB CCc1c(C(=O)N[C@@H]2CCC[C@@H](N3CCN(C(C)=O)CC3)[C@@H]2O)[nH]c2ccc(C)cc12 2037895389 VGKQRKRQAMPMCJ-MQSCRBSSSA-N 426.561 2.215 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3259238 SSSZGWVZCVKUCX-UHFFFAOYSA-N 432.285 2.434 0 40 IEAB COc1ccc(OCCOC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 3523821 QIWKCFRPCIXATF-UHFFFAOYSA-N 439.461 2.091 0 40 IEAB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)NCCN2CCCC2)c1 8719549 QFIYDVKYLUVVDC-UHFFFAOYSA-N 445.541 2.474 0 40 IEAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 9378484 MIAYJGHROSRPCZ-NRFANRHFSA-N 436.443 2.136 0 40 IEAB Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2c1nc1n2C[C@@H](O)CN1c1ccccc1 9518993 OQUBYEDBIZZTKB-INIZCTEOSA-N 437.887 2.111 0 40 IEAB O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)NCc1ccco1 9578378 XWRLYVRKTMNWDP-UHFFFAOYSA-N 436.497 2.098 0 40 IEAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NCc1cccs1 9746719 JQAYRNJZGABHBY-CQSZACIVSA-N 441.600 2.176 0 40 IEAB O=C(Cc1ccc(F)cc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 9849325 OTHMVOLFBTUFIX-UHFFFAOYSA-N 435.438 2.380 0 40 IEAB COc1ccc(OC)c(NC(=O)COc2coc(CSc3nncn3C)cc2=O)c1 10220366 PBAMDGVRJVUVAV-UHFFFAOYSA-N 432.458 2.095 0 40 IEAB Cc1ccc(C2(CN3CCC(NC(=O)CCN4C(=O)NC(C)(C)C4=O)CC3)CC2)cc1 12187198 VFHNIHLDQXKKBY-UHFFFAOYSA-N 426.561 2.328 0 40 IEAB COC(=O)c1ccc([C@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 12660949 CZCYWGTVNNUEQB-KEXUJGGDSA-N 434.485 2.416 0 40 IEAB CC(C)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(C)C 12885943 SKSIOCMTQNDHMS-WYADAEROSA-N 447.601 2.309 0 40 IEAB biogenic O=C(NCc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12901542 HPXGNRSDMXDJFX-UHFFFAOYSA-N 434.489 2.314 0 40 IEAB O=C(CCNS(=O)(=O)c1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1 12976427 QFTURYBQLTVPKH-RMKNXTFCSA-N 431.533 2.352 0 40 IEAB Cc1cccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)c1 13036791 WPPHOWUNNCILOX-UHFFFAOYSA-N 429.484 2.247 0 40 IEAB O=C(N[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 13691210 CBSQCSCNHXBCNC-NRFANRHFSA-N 440.565 2.360 0 40 IEAB COc1ccc(CNC(=O)[C@@H](C)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 15613721 RXCXKUOXKSVDDE-LJQANCHMSA-N 445.585 2.405 0 40 IEAB CNC(=O)c1c(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)sc2c1CCCC2 16751809 SLOFLZOSQYJBRE-UHFFFAOYSA-N 428.923 2.086 0 40 IEAB CCc1ccc(CN2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 19522876 VDXBRRIOVOGLFH-GOSISDBHSA-N 430.574 2.030 0 40 IEAB CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19528604 QJGCXYVLEIFEMX-RUZDIDTESA-N 445.523 2.433 0 40 IEAB CO[C@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19592626 KSKKQIUFWYGUNI-ABSDTBQOSA-N 442.560 2.323 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)CCC3=NNC(=O)CC3)C2)ncc1C(=O)N1CCCCC1 19763213 ALMPZJSBWMGWFM-QGZVFWFLSA-N 440.548 2.163 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 22740438 UVPSLKFXZWALLN-LSDHHAIUSA-N 437.484 2.116 0 40 IEAB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCN(CCOc2ccccc2)CC1 22789325 JLANJRUQYKPLIV-INIZCTEOSA-N 442.585 2.359 0 40 IEAB Cc1c(C(=O)N2CCCN(S(C)(=O)=O)CC2)cnn1-c1ccc(Br)cc1 32796902 KMRSXYYDHJPQCE-UHFFFAOYSA-N 441.351 2.051 0 40 IEAB O=C(CCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(-c2ccccc2)cc1 36389806 FQTWWLICLGAMRC-UHFFFAOYSA-N 449.551 2.320 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O)Nc1ccc(F)cc1Cl 49410468 SHOAOPYGVWVVJH-UHFFFAOYSA-N 427.885 2.454 0 40 IEAB Cc1ccc(Cn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 56952658 YIARZSWXJMROLN-UHFFFAOYSA-N 444.539 2.102 0 40 IEAB O=C(CN1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)CC1)Nc1cccc(F)c1 57270865 PAHSSVCQNFZESC-MDZDMXLPSA-N 448.502 2.262 0 40 IEAB CC[C@H](C)NC(=O)CN1CCN(CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1 58666407 RNIZCBTXAMNYBW-BHWOZTKKSA-N 449.640 2.393 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cccnc2SC2CCCC2)C[C@@H](C)O1 69923133 VTLHGKWOAOFJMP-GASCZTMLSA-N 427.592 2.285 0 40 IEAB O=C(O)c1c(F)cc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1F 72301106 TTYJZUGYYRRSJL-UHFFFAOYSA-N 446.453 2.248 0 40 IEAB Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CCN(C1CCOCC1)C2 84060869 GHXBFVIZLNJNEM-IBGZPJMESA-N 425.533 2.022 0 40 IEAB COc1ccc(CN2CCC(NC(=O)[C@@H](c3ccccc3)n3cnnn3)CC2)cc1OC 95475111 NIWRPWQBTLCEBS-JOCHJYFZSA-N 436.516 2.061 0 40 IEAB CCOCCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2cc(Br)ccc21 100873453 VUCQTWZHKQOSDT-ZPHPHTNESA-N 440.319 2.078 0 40 IEAB C[C@@H]1CN([C@H](CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c2c(F)cccc2Cl)CCO1 106074679 KYYHPNXEAQCMEU-ATNYBXOESA-N 449.976 2.185 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223095012 RRCXHPGABXPLRZ-HSALFYBXSA-N 425.529 2.190 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCC3)[C@]3(C)C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCC1 245229748 FBXMFZTWOZKAKG-SUSMOJJHSA-N 443.588 2.443 0 40 IEAB COc1cccc(Cc2cc(C)nc([C@@H]3CN(C(=O)Cn4nc(C)ccc4=O)CCO3)c2)c1 257338749 YYVAHPXFLFPSGW-QHCPKHFHSA-N 448.523 2.455 0 40 IEAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@@H]1c1ccco1 408733338 XPSKZAJOIQUYNU-DPWKNNTCSA-N 440.477 2.214 0 40 IEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 409198196 ZLXNUURWLSAXFT-LJQANCHMSA-N 445.585 2.487 0 40 IEAB O=C([C@H]1CC(=O)N(c2cccc(Br)c2)C1)N1CCOCC2(CCOCC2)C1 544216727 FFTSRJGGEVOOOM-HNNXBMFYSA-N 437.334 2.458 0 40 IEAB CN(Cc1ncccn1)C(=O)[C@@H]1CN(Cc2ncc(C(F)(F)F)[nH]2)CC12CCOCC2 585101869 HEGGFGQFNZSZKJ-AWEZNQCLSA-N 438.454 2.106 0 40 IEAB C[C@@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 589055653 JXKMCSHEHYZXNW-OLZOCXBDSA-N 434.480 2.039 0 40 IEAB COCCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(C)c(Cl)c3)CCN2C12CCOCC2 1772595201 BPBMYTNGLRLPIS-GOSISDBHSA-N 436.940 2.162 0 40 IEAB COCCn1cnc2c(N3CCN(c4nc5cc(OC)ccc5s4)CC3)ncnc21 1888946105 SCOODSDMEWHARI-UHFFFAOYSA-N 425.518 2.418 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)cc1 932487 UVWACSIAHPGDCA-UHFFFAOYSA-N 426.458 2.123 0 40 IEAB CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)ccc2c1=O 4791750 SGSSMGJPBHPPEV-UHFFFAOYSA-N 438.484 2.071 0 40 IEAB CN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)Cc1cccc(Cl)c1Cl 7292691 GRQLFXWESZHCLQ-UHFFFAOYSA-N 429.392 2.484 0 40 IEAB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(c2ccccn2)CC1 9050124 DGEAPMPKFICPFM-QGZVFWFLSA-N 448.976 2.485 0 40 IEAB Cc1cc(Cl)ccc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccccc1 10283160 UAHMATBIQCCNPV-UHFFFAOYSA-N 435.933 2.144 0 40 IEAB COc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1S(=O)(=O)N1CCCC[C@H]1C 10457554 XPLIAWKOCHYIMI-MRXNPFEDSA-N 447.557 2.493 0 40 IEAB O=C1c2ccccc2C(=O)N1CCSc1nnc(N2CCCC2)n1C[C@@H]1CCCO1 10516496 BBXZLYCRWFZBHJ-HNNXBMFYSA-N 427.530 2.446 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)CS(=O)(=O)Cc3ccccc3)cc2n1 12161185 OZIQBRGQPNHRMP-SFHVURJKSA-N 428.514 2.412 0 40 IEAB CCn1c(=O)n(CC(=O)Nc2ccccc2)c2c(C(N)=O)nc(-c3ccc(C)s3)nc21 12236917 UNALRXDZMWIZIT-UHFFFAOYSA-N 436.497 2.387 0 40 IEAB COc1ccc([C@H](CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)N2CCCCC2)cc1 12568782 GPNKHEDVBNHLLC-WMZHIEFXSA-N 428.533 2.059 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)O 12886631 HRCMHRFKYHUSDF-YSSFQJQWSA-N 437.496 2.100 0 40 IEAB biogenic CCCn1nc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)ccc1=O 14199243 LRYRKCRVCKSHLM-UHFFFAOYSA-N 434.518 2.089 0 40 IEAB Cn1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)n1 14899730 PWXGXRZXEXZUFA-CQSZACIVSA-N 427.324 2.365 0 40 IEAB COCCn1nnnc1[C@H](c1ccc(F)cc1)N1CCN(Cc2ccccc2OC)CC1 19593960 PSVAFMWDVXVGPT-QFIPXVFZSA-N 440.523 2.374 0 40 IEAB CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)C(=O)COc3ccccc3)n2)CC1=O 19700981 YJEXGFNKIKDCDF-QGZVFWFLSA-N 425.533 2.304 0 40 IEAB CN1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)c3ccc4nsnc4c3)nc2)CC1 19708235 WJWFAQSCBDYJMP-FQEVSTJZSA-N 436.541 2.451 0 40 IEAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)ncc1C(=O)N1CCCCC1 19763283 XLBCGYPQTPWSRA-QGZVFWFLSA-N 446.577 2.021 0 40 IEAB CCOc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(C(C)=O)CC2)cc1OC 22627522 AKANXOFRHVNPGA-SFHVURJKSA-N 445.545 2.466 0 40 IEAB CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 22851225 KMUVBYACHJZMJK-LJQANCHMSA-N 434.514 2.166 0 40 IEAB COc1ccc(C)cc1CN1CCN(C(=O)CCN2C(=O)NC3(CCCCC3)C2=O)CC1 24083366 AEKCHYYXYZAEFC-UHFFFAOYSA-N 442.560 2.293 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12)c1ccco1 25107668 CVFOSZGCGDKQLF-LJQANCHMSA-N 433.512 2.007 0 40 IEAB biogenic Cc1cc(N2C[C@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)ccc1Br 32796033 JRFMDWVUTXHDHE-CYBMUJFWSA-N 434.290 2.250 0 40 IEAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)n1 72374994 XXAWGHCYFUVJJT-SFHVURJKSA-N 438.532 2.269 0 40 IEAB COc1cccc([C@H](CNS(=O)(=O)Cc2cc(F)cc(F)c2)N2CCOCC2)c1 77200660 LAQKTUCPVRZUHA-FQEVSTJZSA-N 426.485 2.466 0 40 IEAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2C[C@@H]3C(=O)NC2CCN(C(=O)C3CC3)CC2)Oc2ccccc21 100181277 DHNJZHYMIYWKGL-LCUZSREJSA-N 437.540 2.459 0 40 IEAB O=C(COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc2c(c1)OC(F)(F)O2 102127792 MMLKUSKVAZXDFK-STQMWFEESA-N 438.383 2.055 0 40 IEAB CCCSc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)s1 223306717 LCBWZTZYZQTZPG-UHFFFAOYSA-N 442.588 2.455 0 40 IEAB CCN1CCN(c2ccc(C(=O)OC)cc2S(=O)(=O)Nc2ccc(OC)cc2)CC1 223420442 JLZAYICPJCZDRU-UHFFFAOYSA-N 433.530 2.425 0 40 IEAB NS(=O)(=O)OC[C@@H]1C[C@H](n2ccc3c(N[C@@H]4CCc5ccccc54)ncnc32)C[C@H]1O 255988279 MPUQHZXIXSTTDU-ILRDRHFLSA-N 443.529 2.063 0 40 IEAB Cc1cn([C@@H]2CN(C(=O)c3ccc4c(c3)ncn4C(C)C)CC[C@@]2(C)O)c(=O)nc1O 257237584 HHCXOBOIMIIZQJ-XMSQKQJNSA-N 425.489 2.026 0 40 IEAB O=C(CC1CC1)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(C(=O)c1ccccc1)CC3 306124355 BNICTPQBPVSPGF-UHFFFAOYSA-N 446.551 2.407 0 40 IEAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Nc1cccc2nsnc12 3413893 OVDBAQULIKEZCO-UHFFFAOYSA-N 446.510 2.271 0 40 IEAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)S(=O)(=O)c1ccc(OC)cc1 3449057 QSBPCQACLHFHLH-UHFFFAOYSA-N 433.486 2.160 0 40 IEAB O=C(OCn1nnc2ccccc2c1=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3520065 GDLDALLRUJSLIG-UHFFFAOYSA-N 426.388 2.407 0 40 IEAB CSc1ccc(OC(=O)[C@@H](C)NC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)cc1 5201568 UTPMZVGGVNZEHT-RDTXWAMCSA-N 432.498 2.106 0 40 IEAB CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2C)CC1 8326237 CBYLEQNOHPBVEH-UHFFFAOYSA-N 425.551 2.376 0 40 IEAB O=C([C@H]1CN(C(=O)Cn2cnc3sccc3c2=O)c2ccccc2O1)N1CCCCC1 8900055 IJGCPSSEDOTVGO-GOSISDBHSA-N 438.509 2.265 0 40 IEAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)n1 9748268 HRHXJZFHJAZBEY-ZDUSSCGKSA-N 438.575 2.400 0 40 IEAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3cccc(F)c3)n(N)c2=O)cc1 12347790 LVAQHDRAHVYVEQ-UHFFFAOYSA-N 429.477 2.212 0 40 IEAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCOCC3)c3ccccc32)cc1 12364375 NHYVXCRVHXDMKU-UHFFFAOYSA-N 448.479 2.071 0 40 IEAB biogenic,in-vitro C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@@H](C(F)(F)F)C1 12858667 HEFXRTINFPMTAU-HZPDHXFCSA-N 433.496 2.182 0 40 IEAB Cc1c(Cl)cccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12923572 IKBMTIICTCCMPO-UHFFFAOYSA-N 438.937 2.125 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccc(F)c(F)c2F)cc1 13074519 XAGNANABPPKYQB-UHFFFAOYSA-N 430.404 2.215 0 40 IEAB Cn1c(CCNC(=O)[C@@H]2CCCO2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 13690885 ZCLGBHMYDCENQL-IBGZPJMESA-N 428.514 2.212 0 40 IEAB O=C(CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ccc(N2CCCC2=O)cc1 14141958 PPKDPIPYMYEVOZ-CYBMUJFWSA-N 435.527 2.149 0 40 IEAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 17527202 XRXZMISYQUGKOB-GOSISDBHSA-N 428.510 2.496 0 40 IEAB COc1ccccc1CNC(=O)c1cncnc1CC1CCN(C(=O)[C@@H]2CCCO2)CC1 19756737 WNMGXODBWDIANH-QFIPXVFZSA-N 438.528 2.375 0 40 IEAB O=C(C[C@H]1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)NCCc1ccccc1 19817495 VHTYUKAXISNEHE-QFIPXVFZSA-N 447.539 2.005 0 40 IEAB CCCCN1C(=O)NC(=O)/C(=C(/CC)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O 20290463 ZQSHGNJOSNPOIL-BDBAMQCISA-N 440.500 2.384 0 40 IEAB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)c(C)c1 20614363 RLMPAWFXDADGSF-FQEVSTJZSA-N 438.528 2.076 0 40 IEAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCCc1ccc(OC)cc1 22252564 XWNNXYLWJFUMFK-UHFFFAOYSA-N 436.530 2.471 0 40 IEAB CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 22514464 HKZYICPDIHHCPY-UHFFFAOYSA-N 436.509 2.215 0 40 IEAB COc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1S(=O)(=O)NC(C)C 32760849 SXJRYNHSRLCOLE-MRXNPFEDSA-N 426.922 2.499 0 40 IEAB CCOC(=O)C1=C(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)NC(=O)N[C@@H]1c1ccco1 32797387 LNUJTRPFPWAUNJ-BFUOFWGJSA-N 447.513 2.205 0 40 IEAB CCSc1nnc(NC(=O)CSc2nc(CNC(=O)c3ccco3)no2)s1 35682796 IVSQZPGPJURXRA-UHFFFAOYSA-N 426.505 2.287 0 40 IEAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(Cc3ccncc3)CC2)c2ccc(F)cc21 36354600 ABDRGHRKYLTQFE-NRFANRHFSA-N 426.448 2.204 0 40 IEAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CCS(=O)(=O)c2ccccc2)CC1 36385118 RKMGRHDODNQMHW-UHFFFAOYSA-N 443.569 2.196 0 40 IEAB O=C(CN1CCN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)CC1)NC1CC1 36389572 QODOGRHGORDQAY-QFIPXVFZSA-N 433.508 2.177 0 40 IEAB COC(=O)c1nc(NC(=O)Cn2nnc3ccccc3c2=O)sc1CCc1ccccc1 72402613 IKHWYYCQLRGISV-UHFFFAOYSA-N 449.492 2.459 0 40 IEAB Cc1ccc(F)cc1S(=O)(=O)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 77196727 BEIQPJZKUZCKBQ-UHFFFAOYSA-N 428.493 2.447 0 40 IEAB Cc1cc(NC(=O)[C@@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)n(-c2ccccc2)n1 96124138 TVGTYUJZIFTQRE-QGZVFWFLSA-N 429.488 2.407 0 40 IEAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 219992667 RDGNQQYVUFZABD-UHFFFAOYSA-N 448.526 2.091 0 40 IEAB COc1cc(CCC(=O)N(C)[C@@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@H]2O)on1 257265923 MAWWXTXPCKKHPI-PQNGQFLHSA-N 443.544 2.452 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CCC[C@@](C(N)=O)(c2ccccn2)C1 257329984 XMGPWUQBDGIRBM-VWLOTQADSA-N 446.555 2.401 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)Oc2ccccc21 260840365 UPZTUPFGEQHMAG-JLTOFOAXSA-N 432.498 2.252 0 40 IEAB COC(=O)N1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3cnn(C)c3)CC2)C1 306134816 NYQYYQAAOBXWDQ-UHFFFAOYSA-N 439.495 2.391 0 40 IEAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)cc1OC 390830782 NKKQOFMCLBRWIQ-IBGZPJMESA-N 425.528 2.254 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1C 408594825 QVUSYAKATHXNJC-MRXNPFEDSA-N 435.521 2.158 0 40 IEAB Cc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 408630054 MSWUUWJXWBBGRL-UHFFFAOYSA-N 431.558 2.029 0 40 IEAB O=C(O)Cn1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c2ccccc21 409200981 KYZJVXYARJZMQP-RQZCQDPDSA-N 436.399 2.396 0 40 IEAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)c(C)c1 409265723 OFYLHZWQMRAVIK-UHFFFAOYSA-N 445.541 2.181 0 40 IEAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)c2cncn2C)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585262460 VDCULKAFNQNSIE-LGKPFJOYSA-N 438.503 2.370 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)C[C@H](C)O1 2619389 CZQHBVTWORVVKJ-GJZGRUSLSA-N 432.498 2.143 0 40 IEAB COC(=O)c1ccc(COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)o1 3518602 FPMAMLZNPDKFOG-UHFFFAOYSA-N 436.486 2.274 0 40 IEAB CC(C)[C@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)C(=O)NC(N)=O 9113548 WTPVBPXXNDWTAR-INIZCTEOSA-N 428.580 2.346 0 40 IEAB Cc1nnc(NC(=O)[C@H](C)Sc2nnc(CNC(=O)c3ccccc3F)n2C)s1 9290080 VQVXTVWQWZFDLZ-VIFPVBQESA-N 435.510 2.163 0 40 IEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(C(=O)N2CCCCC2)cc1 9596457 NRCBYQLNUZCKOI-UHFFFAOYSA-N 426.517 2.184 0 40 IEAB COc1cccc(C(=O)NCc2nnc(SCc3nc4ccccc4c(=O)[nH]3)n2C)c1 9699344 WVHZOVJOXMXWKL-UHFFFAOYSA-N 436.497 2.283 0 40 IEAB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)CN3C(=O)CCC3=O)nc12 10187680 BVPYJAUOJAEADM-UHFFFAOYSA-N 440.481 2.391 0 40 IEAB O=C(CCc1ccccc1)N1CCN(S(=O)(=O)c2cnoc2-c2ccncc2)CC1 12234649 WKZCDVWRYBEEEU-UHFFFAOYSA-N 426.498 2.202 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)c1nc(NS(=O)(=O)c2ccccc2)sc1C 12324094 VZTRHLVGYZLGHW-ZDUSSCGKSA-N 443.572 2.277 0 40 IEAB COc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1Cl 12537147 DQRGXUQODYVCDA-HXUWFJFHSA-N 445.903 2.414 0 40 IEAB CC[C@@H](C)c1ccc([C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)C)cc1 12627286 AEPSCDNQTDZZKQ-BEFAXECRSA-N 425.533 2.461 0 40 IEAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC1=C(C(=O)OCC)[C@@H](C)NC(=O)N1 13037721 OMJZIRBRONRCHJ-LLVKDONJSA-N 442.438 2.273 0 40 IEAB CCCCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 13041225 ZJIXKBDONDEYKJ-UHFFFAOYSA-N 448.520 2.392 0 40 IEAB COc1cn(CC(=O)NCc2ccccc2)c(CN2CCN(c3ccccc3)CC2)cc1=O 16974693 YQCZOSSGFJULFM-UHFFFAOYSA-N 446.551 2.496 0 40 IEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 18948530 UIBAIHAGZUMYHZ-UHFFFAOYSA-N 432.436 2.254 0 40 IEAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(F)cc2Br)CC1 19353207 NETAFMIPHIJABD-UHFFFAOYSA-N 431.258 2.482 0 40 IEAB COc1cc(C(=O)N2CCC(c3nc(O)c4c(n3)CN(C)CC4)CC2)cc(OC)c1OC 19590747 UZHBTSNWXCXFOD-UHFFFAOYSA-N 442.516 2.216 0 40 IEAB COCCNC(=O)c1ccc(C2CCN(C(=O)c3ccc4nsnc4c3)CC2)nc1 19754451 QSHCYIRFQNEQAO-UHFFFAOYSA-N 425.514 2.482 0 40 IEAB Cc1ccc(N2C(=O)N(CC(=O)NCC3(N4CCOCC4)CCCCC3)C(=O)[C@@H]2C)cc1 20937917 YQMCZFBQBFURAT-IBGZPJMESA-N 442.560 2.303 0 40 IEAB CCOc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)NC(C)C)cc1 22228619 DRZPIXPZEFTTRT-UHFFFAOYSA-N 433.530 2.069 0 40 IEAB CNC(=O)CN1CCN(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)CC1 22930580 QYTZPBINQSNZNE-IBGZPJMESA-N 449.511 2.067 0 40 IEAB Cc1ccc(C)c(OC[C@H](O)CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1C 22933874 JCWNZKMOPSFPPX-HXUWFJFHSA-N 436.556 2.406 0 40 IEAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O 24821388 HUQMUIQVGVZJKF-UHFFFAOYSA-N 430.258 2.386 0 40 IEAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)c1OC 35388119 KQTSBOPQQVGHLF-JXMROGBWSA-N 446.481 2.495 0 40 IEAB COCc1nnc(NC(=O)CCC(=O)N2CCN(c3nsc4ccccc34)CC2)s1 36357314 LQMUZLSAYQQNQY-UHFFFAOYSA-N 446.558 2.362 0 40 IEAB CCN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)C[C@@H]1COc2ccccc2O1 36726050 JODHMTJVPZZRGP-QGZVFWFLSA-N 429.542 2.194 0 40 IEAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1nnc2n(C)c(=O)c3sccc3n12 40153897 YEQWODRZZRMEBC-GFCCVEGCSA-N 431.543 2.239 0 40 IEAB COCc1cc(=O)[nH]c2cc(NC(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)ccc12 49031126 BLZLRCWWGFVWCB-AWEZNQCLSA-N 438.509 2.396 0 40 IEAB O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 58170302 YKHZKFDMYRKDIS-UHFFFAOYSA-N 448.405 2.276 0 40 IEAB C[C@H](CCc1ccccc1)NC(=O)Cn1cccc(-c2nc(-c3cnccn3)no2)c1=O 77100852 ZAVKRXHLHMCLBZ-MRXNPFEDSA-N 430.468 2.493 0 40 IEAB Cc1cc(N2CCN(S(=O)(=O)c3ccccc3Cn3cncn3)CC2)nc(C(C)C)n1 95993334 WBTHSCGANAGSIX-UHFFFAOYSA-N 441.561 2.059 0 40 IEAB COc1ccc(/C=C/C(=O)NC(=S)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1OC 100750010 NLCSAWDCXBHPNW-ISIQUDIPSA-N 439.537 2.399 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(Cl)cc1 111909587 BWVYKJSCTRUJSE-FJJYYWMZSA-N 425.897 2.457 0 40 IEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)cc1 219221435 HHZLVQJWCYXSHW-UHFFFAOYSA-N 428.470 2.351 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222944034 CJJYGRDIJLSGQU-LJQANCHMSA-N 435.521 2.145 0 40 IEAB CN([C@@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccccc1)S(C)(=O)=O 224853250 RNYOYISVIOQCTR-FXAWDEMLSA-N 445.541 2.167 0 40 IEAB C[C@H](NC(=S)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1)c1ccccc1 225959722 LLXJQXKJKSIYDJ-INIZCTEOSA-N 428.562 2.197 0 40 IEAB CN(CC(=O)NCCSc1nc(-c2ccccc2)n[nH]1)S(=O)(=O)c1ccc(F)cc1 226036450 DZFQPOCINPTUQR-UHFFFAOYSA-N 449.533 2.140 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1 238963270 YSBRCSRVKVNIAW-UHFFFAOYSA-N 433.515 2.044 0 40 IEAB CCOc1cc(Br)c(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1OC 409213635 UTEHNOHSURJIAG-WZUFQYTHSA-N 429.292 2.087 0 40 IEAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(OC)c3)n2C)cc1 409350610 YOAHPFAOVPAIBQ-UHFFFAOYSA-N 441.513 2.493 0 40 IEAB COc1ccc(S(=O)(=O)N2CC(Nc3nc(N(C)C)cc(C(F)(F)F)n3)C2)cc1 677570169 DKEGANPOBDCPCL-UHFFFAOYSA-N 431.440 2.055 0 40 IEAB O=C([C@@H]1CC(=O)N(C2CCOCC2)C1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1775995062 VSIDAPBRBQOKDU-LJQANCHMSA-N 442.560 2.000 0 40 IEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@@H](O)COc1cccc2ccccc12 662940 IXAYPURIUXYQRK-QGZVFWFLSA-N 449.511 2.007 0 40 IEAB COc1ccc(C(=O)N2CCCN(C)CC2)cc1S(=O)(=O)N(C)Cc1ccccc1 2632811 VTOJGLVKJHSYRI-UHFFFAOYSA-N 431.558 2.294 0 40 IEAB Cc1ccc(C)c(N2CCN(C(=O)CCCn3c(=O)[nH]c4ccsc4c3=O)CC2)c1 4763841 WTUWVBWCESBSJT-UHFFFAOYSA-N 426.542 2.497 0 40 IEAB CCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 8918401 FTHXNBPWNYRIIN-XDHUDOTRSA-N 442.512 2.004 0 40 IEAB biogenic COc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)Nc2ccc3c(c2)OCO3)c1N 9226996 IOCIRQOTXHJOEC-UHFFFAOYSA-N 444.835 2.142 0 40 IEAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)N[C@@H]1CCCc2ccccc21 9452546 LPXQJURPLCWKKR-RIFZZMRRSA-N 449.507 2.467 0 40 IEAB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@H]1CCSc2ccccc21 9535257 NSDKWXJSVGYIDX-INIZCTEOSA-N 434.539 2.480 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1 9569877 DKPQARJQWPSJKG-UHFFFAOYSA-N 425.913 2.361 0 40 IEAB COc1ccc(NC(=O)Cn2ccccc2=O)cc1NS(=O)(=O)c1ccc(F)cc1 9640587 JUNJWVKYJQEAGX-UHFFFAOYSA-N 431.445 2.436 0 40 IEAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 10717351 XFTXRSNRNPPFGJ-UHFFFAOYSA-N 446.481 2.385 0 40 IEAB CCN(CCCNS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)c1ccccc1 12743820 YMCDKBMBKJJMRG-UHFFFAOYSA-N 434.514 2.455 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(-c2ccccc2O)n[nH]1 13125557 PYBVTQMUUFYSGP-UHFFFAOYSA-N 428.470 2.056 0 40 IEAB C[C@@H](OC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(=O)Nc1ccc2c(c1)OCCO2 13526059 MNVBGVMIVWBQNT-OAHLLOKOSA-N 435.436 2.247 0 40 IEAB COc1cccc(/C=c2\sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)c1 13547444 USRJJQJJUTUSTL-MFOYZWKCSA-N 425.466 2.400 0 40 IEAB COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)cc(OC)c1OC 13610094 ISXOWZYGLYPNPI-JYISGYRJSA-N 440.452 2.226 0 40 IEAB O=C(COC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)NC[C@@H]1CCCO1 14599514 MQYPPWDIDSYHFL-AWEZNQCLSA-N 430.482 2.456 0 40 IEAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@H]3c1cccnc1 20308308 GCUBUTBPKRYEFM-NRFANRHFSA-N 435.480 2.464 0 40 IEAB COc1ccc(OC)c(N2C(=O)/C(=C/N[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c1 20519067 DXGJDVBKZKPALU-CRRKTRLDSA-N 442.493 2.008 0 40 IEAB O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccccc1I 29630478 AGPZTUXKUMWJCB-UHFFFAOYSA-N 435.225 2.495 0 40 IEAB CCOC(=O)C1=C(Cn2cnc3ccsc3c2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 31788397 JQWJPXFYNJAYFT-KRWDZBQOSA-N 440.481 2.338 0 40 IEAB C[C@]1(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)CCS(=O)(=O)C1 32971003 MSMXOJURGHRPLV-NRFANRHFSA-N 448.566 2.135 0 40 IEAB COC(=O)c1cc(-c2csc(NC(=O)[C@@H]3CS[C@]4(C)CSCC(=O)N34)n2)c[nH]1 40150371 IXZFRPAEPQAXFC-YVEFUNNKSA-N 438.556 2.270 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCCCN2CCc3ccccc32)Oc2ccc(Cl)cc21 44907355 RNNSFCARESIZJK-HXUWFJFHSA-N 449.960 2.436 0 40 IEAB COCCn1cc(C(=O)NCCc2cc(OC)c(OC)cc2Br)ccc1=O 48275940 YGUCJBLROPPDHT-UHFFFAOYSA-N 439.306 2.247 0 40 IEAB CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)Cc2ccc(OC)cc2)cc1 67896975 XTEASGICZMXUIT-ZJSXRUAMSA-N 442.512 2.174 0 40 IEAB biogenic,in-vitro CS(=O)(=O)N1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(Cc4ccsc4)CC3)n2)C1 72399204 NPDYXIIBLQUPKH-QGZVFWFLSA-N 436.603 2.350 0 40 IEAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCc3nc4ccccc4n3C)C2=O)cc1 96231039 DZNGAZUCLBRRBF-IBGZPJMESA-N 449.511 2.141 0 40 IEAB C[C@@H](NC(=O)/C=C/c1sc2ccccc2c1Cl)C(=O)N1CCS(=O)(=O)CC1 97550726 VZZILIDPKXQUPI-NNNHXZLVSA-N 426.947 2.330 0 40 IEAB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CN2CCN(CCc3ccccc3)CC2)C1=O 103448259 SSYAXSPUGJCJCI-RYFAJOAYSA-N 438.572 2.420 0 40 IEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2O1 103509934 HAESEPFMXRAYQX-GJZGRUSLSA-N 438.480 2.322 0 40 IEAB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)c1ccccc1 138860202 BEQOIITXEOVCIS-GDBMZVCRSA-N 443.887 2.254 0 40 IEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 224348561 BIUTZOJORRZHRI-UHFFFAOYSA-N 432.498 2.051 0 40 IEAB CNC(=O)Cc1c(C)nc([C@@H]2CCCN(C(=O)c3c(OC)cccc3OC)C2)nc1C 257215908 CSDNHGNLAJKIGY-MRXNPFEDSA-N 426.517 2.419 0 40 IEAB O=C(c1c[nH]nc1-c1cccnc1)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 544052616 CQIFOOCFEQKJQM-JOCHJYFZSA-N 444.539 2.421 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](c2ccsc2)n2cccn2)cc1 575612801 CESCLHDAXNPFIA-QGZVFWFLSA-N 430.511 2.166 0 40 IEAB COc1cc(-c2cc(C(=O)N3CCC(N4CC[C@@H](OC)C4)CC3)n[nH]2)cc(OC)c1OC 1565523355 LYBVRDQTMGDXIB-QGZVFWFLSA-N 444.532 2.428 0 40 IEAB COc1ccc(CCN(C)C(=O)CSc2nnc(-c3ccoc3C)n2N)cc1OC 3446658 RKLMFJXBZWXAHE-UHFFFAOYSA-N 431.518 2.371 0 40 IEAB O=C(CSc1ncnc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2)CC1 3536695 WVEKTGLDYHWAHR-UHFFFAOYSA-N 428.539 2.255 0 40 IEAB COC(=O)c1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)ccc1Cl 8590543 BQABATRPCGXDKI-UHFFFAOYSA-N 425.894 2.378 0 40 IEAB COc1cc(-c2nnc(COC(=O)Cn3c(=O)oc4ccccc43)o2)cc(OC)c1OC 8825881 OUYLYZNTYLKWGX-UHFFFAOYSA-N 441.396 2.414 0 40 IEAB CS(=O)(=O)Nc1ccccc1C1=NN(S(C)(=O)=O)[C@H](c2ccc3nccnc3c2)C1 8843918 WRYQCKZDEGOUAH-IBGZPJMESA-N 445.526 2.112 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)c(F)c1 9548972 QTULSXUDJOGWOD-CMJOXMDJSA-N 444.507 2.178 0 40 IEAB O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Cl)cc1 9806897 INEHKPBXIWKMEZ-CQSZACIVSA-N 427.935 2.310 0 40 IEAB Cc1ccc(C(=O)NCc2nnc3ccccn23)cc1S(=O)(=O)NCc1ccccc1 9876338 GYVJSELAULRWRG-UHFFFAOYSA-N 435.509 2.446 0 40 IEAB O=C(c1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12848250 GCVFLZZSKDQPQA-UHFFFAOYSA-N 438.452 2.273 0 40 IEAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12975154 MGWYAAXAXMPSAT-RDTXWAMCSA-N 431.961 2.480 0 40 IEAB C[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc2c(c1)OCCO2 13095448 GTKCQVKXPIGWNB-AUUYWEPGSA-N 448.479 2.279 0 40 IEAB CCN1C(C(=O)N2CCOCC2)=C(OCc2ccccc2)c2ccccc2S1(=O)=O 13556815 VAQFGIDPPXUBQN-UHFFFAOYSA-N 428.510 2.455 0 40 IEAB CCCCCCS(=O)(=O)CCOCCOC[C@@H](O)CS(=O)(=O)CCCCCC 16638350 BQDOOGKFHLJKSY-LJQANCHMSA-N 444.656 2.371 0 40 IEAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 18940536 NEMIHDROOPYBMO-UHFFFAOYSA-N 442.509 2.149 0 40 IEAB CC(=O)NCC(=O)N1CCC(c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)CC1 19739472 LRXACKHRUBGXLL-UHFFFAOYSA-N 441.576 2.487 0 40 IEAB CC(=O)N1CCC[C@H]1c1nc(CN(C)S(=O)(=O)Cc2ccc(F)cc2)cc(N(C)C)n1 19760351 FZYRJAFQJBAWRJ-IBGZPJMESA-N 449.552 2.327 0 40 IEAB CC(C)Cn1c(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)nnc1N1CCOCC1 21621363 ZGAOMDBBBSVKOS-HNNXBMFYSA-N 444.561 2.237 0 40 IEAB CCn1c(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555679 YYNWLTJJYAFHCQ-UHFFFAOYSA-N 438.459 2.289 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 32103240 WMPMNVPGWKAXKQ-FZMZJTMJSA-N 429.336 2.213 0 40 IEAB O=C(CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)N[C@H]1C=CS(=O)(=O)C1 33584903 OAHKVNRPNDSHDV-FYQHACEVSA-N 426.903 2.193 0 40 IEAB Cc1cc(C)n(-c2ccc(NC(=O)CCc3c(C)nc4c(C(N)=O)cnn4c3C)cn2)n1 58202620 MKHMSGRPSPHDLF-UHFFFAOYSA-N 432.488 2.214 0 40 IEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCc1cc(F)cc3c1OCOC3)C2=O 58394114 BBOCSSLTCWSUSM-QKFKETGDSA-N 447.507 2.488 0 40 IEAB CCS(=O)(=O)c1ccc2oc(CN3C[C@@H](C(=O)N(C)C)Oc4ccccc43)nc2c1 84811663 NMNTVYMLMYDYTC-IBGZPJMESA-N 429.498 2.477 0 40 IEAB O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1 96231408 IZSANECBDDLVFG-VPVJOJIASA-N 436.512 2.338 0 40 IEAB CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 100771997 ZOEKMFSWKCMZIG-WCVJEAGWSA-N 427.542 2.048 0 40 IEAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)C[C@@H](C)O1 106565809 MTTQKRKVNLVPMF-KZNAEPCWSA-N 447.557 2.390 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222937367 TUMAZQIJZFKEQH-IBGZPJMESA-N 435.521 2.145 0 40 IEAB CN(C[C@@H](O)CO)C(=O)CN1CCCCCOc2ccccc2Oc2ncccc2C1 643576272 ZJXWJYLQOWXICZ-LJQANCHMSA-N 429.517 2.050 0 40 IEAB COc1cccc(CN2CCC3(CC2)N(Cc2ccccc2)C(=O)[C@H]2CN(C)CCN23)n1 1772595420 UYBBYZQEALVKOW-JOCHJYFZSA-N 435.572 2.041 0 40 IEAB CS(=O)(=O)CCC(=O)N1CCC2(CC1)C[C@H](CC(=O)NC1CC1)c1ccccc1O2 2055806588 PZROEEKIYFHTOQ-INIZCTEOSA-N 434.558 2.017 0 40 IEAB CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)NC2=O)cc1Br 980009 DJGQGHSXCXOVOZ-BJMVGYQFSA-N 448.067 2.334 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@H](c1ccco1)N(C)C 3344778 WGYYMJYMPHFQOW-JKSUJKDBSA-N 443.566 2.238 0 40 IEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 3367158 YNTYKNIBRCQFJA-NRFANRHFSA-N 444.488 2.271 0 40 IEAB Cc1ccc(-c2nc(SCC(=O)NC3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 8897255 OKSUWNBCOWSYKV-UHFFFAOYSA-N 439.541 2.154 0 40 IEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1C 9120027 USKFYXLHRPDLIB-UHFFFAOYSA-N 433.486 2.253 0 40 IEAB Cc1ccccc1CNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 9743639 BYRXOTDJFZBWFM-FQEVSTJZSA-N 443.569 2.361 0 40 IEAB Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 9807099 LPZPUDXDNGNJLS-FQEVSTJZSA-N 443.569 2.198 0 40 IEAB Cn1ccnc1[C@@H](NC(=O)CSc1n[nH]c(=O)n1Cc1ccccc1)c1ccccc1 10126452 OEEAQUVNKJIEAU-IBGZPJMESA-N 434.525 2.351 0 40 IEAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 12322085 WAYPQJPVLILPNY-YWZLYKJASA-N 429.904 2.333 0 40 IEAB COc1ccc(NC(=O)N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(C)=O)CC2)cc1 13084709 PLDVZMRYZLFBGK-OAQYLSRUSA-N 442.491 2.258 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21 13533111 JIQDQGYIDKPTLH-UHFFFAOYSA-N 439.449 2.291 0 40 IEAB O=C(NCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1c[nH]c2ccccc12 13692464 CKWKUJOOBJTBSU-UHFFFAOYSA-N 426.498 2.003 0 40 IEAB COc1cccc(OC)c1-c1cnc(N(C)C)nc1C1CCN(S(=O)(=O)N(C)C)CC1 19695207 NUGNOKXIJNVLDY-UHFFFAOYSA-N 449.577 2.213 0 40 IEAB O=c1c2c3c(sc2n(CCN2CCOCC2)c(=O)n1Cc1ccco1)CCCCC3 20533195 RODAEAGGDAGXJL-UHFFFAOYSA-N 429.542 2.467 0 40 IEAB Cc1cccc(C)c1N1C(=O)C[C@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 21817750 XFCSPVDCNYJHIB-SFHVURJKSA-N 445.516 2.081 0 40 IEAB CN(Cc1nc2ccccc2s1)C(=O)CN1CCN(CC(=O)N2CCCCCC2)CC1 22799760 ALEADVWFVQCNNZ-UHFFFAOYSA-N 443.617 2.275 0 40 IEAB CCOc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1OCC(=O)N1CCCCC1 24995751 HFWBHPJWCZNRBI-UHFFFAOYSA-N 432.517 2.456 0 40 IEAB COC(=O)c1n[nH]c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc12 25014518 ZOLHKBNORSFRAA-UHFFFAOYSA-N 442.497 2.389 0 40 IEAB Cc1cccc(-n2c(S)nnc2CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 27528261 KCQUIOZDVJOXIJ-UHFFFAOYSA-N 431.543 2.045 0 40 IEAB C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cccc4ccccc34)CC2)C[C@@H](C)O1 31663353 GODXZGUKCPKYCQ-IAGOWNOFSA-N 432.546 2.343 0 40 IEAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCC(=O)O 33562329 ZQNLTFFCRNWBPZ-ZSOIEALJSA-N 444.396 2.021 0 40 IEAB CCCN(CCC)C(=O)CS(=O)(=O)Cc1nc(-c2ccc(OC)c(OC)c2)no1 40106274 HAEIWYRDEUDMHJ-UHFFFAOYSA-N 425.507 2.317 0 40 IEAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 48366563 WXPMXFUPYZMOPE-MJGOQNOKSA-N 434.479 2.353 0 40 IEAB CC(C)(NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccc(Br)cc1 58810259 ZIJWWWPQPYXOIO-UHFFFAOYSA-N 438.303 2.193 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccccn3)CC2)cc1 71333760 SEJPETXKFYUQOQ-MRXNPFEDSA-N 425.489 2.117 0 40 IEAB COC(=O)COc1cc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)OC)ccc1OC 79191446 JEBTWFNKPFFSSA-GHTZIAJQSA-N 440.404 2.419 0 40 IEAB biogenic CC(C)n1cnc2c1[C@@H](C(=O)NCCCN1CCOCC1)N(Cc1ccccc1)CC2 96037537 CKUSDDMUAVDEBP-QHCPKHFHSA-N 425.577 2.402 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)O[C@H](C(=O)N(C)C)Cn2ccnc23)cc1 96243582 LFDVUZNHQWFLKF-IBGZPJMESA-N 446.573 2.174 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)CC2)cc1C 102641818 GVFZYOXBBXDWLC-QGZVKYPTSA-N 432.542 2.049 0 40 IEAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102818904 JJJRPTZPKIVJPD-RYUDHWBXSA-N 425.407 2.066 0 40 IEAB COC(=O)CSc1nnc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)s1 223397074 OWWCNMOVIYBCIO-UHFFFAOYSA-N 436.924 2.080 0 40 IEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccs2)no1 224870976 XDCSBSMNBJFWHZ-GFCCVEGCSA-N 436.515 2.278 0 40 IEAB COc1ccc([C@@H](CC(=O)N2CCN(c3ccccc3OC)CC2)NS(C)(=O)=O)cc1 225957060 IYTRJXVPTMTLMY-LJQANCHMSA-N 447.557 2.033 0 40 IEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCC(=O)N1CCCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 253596104 NEUFOWJCOBCVGE-KVOAMPFWSA-N 425.529 2.460 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408665961 RWAYQXMMAYNDSU-BTDZUBADSA-N 436.386 2.383 0 40 IEAB CN1CCN(C(=O)c2cccc(OCc3cccc(F)c3)c2)C[C@@](O)(Cn2cccn2)C1 585261890 LLXDZLMLGWINRA-XMMPIXPASA-N 438.503 2.420 0 40 IEAB COc1cc(CNC[C@@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OCCCN(C)C 585274173 UCKBTZUJXKMIHG-QHCPKHFHSA-N 432.540 2.291 0 40 IEAB COCC(=O)N1CCN2CC(=O)Nc3cc(-c4ccc(F)cc4F)ccc3OC[C@H]2C1 1772594771 WYDPLLDJBPHMRA-MRXNPFEDSA-N 431.439 2.122 0 40 IEAB Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1C 1363862 XVXZNKZMLRVCHU-QGZVFWFLSA-N 440.529 2.319 0 40 IEAB Cc1ccccc1OCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9703736 UKTQPSXABWKGEN-UHFFFAOYSA-N 432.498 2.340 0 40 IEAB CC(C)Cn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(Br)cc3)nnc12 10968252 HBODEYIQBHBNQN-UHFFFAOYSA-N 431.294 2.167 0 40 IEAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)Nc1sccc1C(N)=O 11380053 HXHGYIAVIOJSRJ-UHFFFAOYSA-N 436.563 2.092 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCNC(=O)COc3ccc(F)cc3F)n2)cc1OC 11694467 KBFAUHLYIXYBQN-UHFFFAOYSA-N 445.422 2.401 0 40 IEAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)OCc1nnc2n(C)c(=O)c3ccccc3n12 12017399 XPWBRFJWWUEFFB-LJQANCHMSA-N 439.516 2.346 0 40 IEAB COc1cccc(NC(=O)c2cc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)ccc2F)c1 12031364 FRPXJEJVPVDMNI-HNNXBMFYSA-N 427.475 2.047 0 40 IEAB Cc1nn2c(NC(=O)CSc3nnc4sc5ccccc5n34)csc2nc1=O 12322881 CRHYKIRVBSOAAH-UHFFFAOYSA-N 429.512 2.448 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 12944057 RHAAJBMIEBJDGT-MRXNPFEDSA-N 433.496 2.102 0 40 IEAB COc1ccc(CNC(=O)COC(=O)C[C@H](NC(N)=O)c2ccc(Cl)cc2)cc1OC 13097911 KAHHIHYYNRPTRR-INIZCTEOSA-N 449.891 2.316 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)Cc3csc(NS(C)(=O)=O)n3)C2)c2sccn12 19240756 SMLXJAPTIMFUGR-GFCCVEGCSA-N 439.588 2.481 0 40 IEAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cnccn2)CCO1 19529318 JELOWAMLRFWEKZ-XMMPIXPASA-N 431.496 2.129 0 40 IEAB Cc1cc(C)n(CCCC(=O)N2CC[C@@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)c(=O)n1 19572550 FSEDMLUIAHOTJI-GOSISDBHSA-N 448.527 2.140 0 40 IEAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2n[nH]c(=O)[nH]2)C1 19591165 WEFCBBYBEYWLPQ-QHCPKHFHSA-N 437.475 2.115 0 40 IEAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCC[C@@H]1c1ccc(C(N)=O)c(C)n1 19711161 ZNIXBLUYLYNXLQ-LJQANCHMSA-N 442.541 2.450 0 40 IEAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2cnn(C)c2)ncc1C(=O)Nc1ccc(F)cc1 19755534 CZMVNUNZCLAEJD-GOSISDBHSA-N 444.492 2.436 0 40 IEAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 19759324 QHBCBNMIFWCQKE-UHFFFAOYSA-N 449.511 2.464 0 40 IEAB CCN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929824 DBAUVBUTIRHYPY-UHFFFAOYSA-N 445.585 2.359 0 40 IEAB COc1cc([C@@H]2CC(=O)c3c(C)nc(N4CCN(C=O)CC4)nc3C2)cc(OC)c1OC 20101569 XEUUESLOCBJGFM-HNNXBMFYSA-N 440.500 2.002 0 40 IEAB COCCN(C(=O)c1cc2c(s1)CC[C@@H](C)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 21337316 UGMBGVPSYYJOAF-CYBMUJFWSA-N 434.562 2.254 0 40 IEAB O=C(N1CCOCC1)N1CCN(Cn2nc(NC3CCCCC3)sc2=S)CC1 22088398 PVGMUKULCJFADF-UHFFFAOYSA-N 426.612 2.446 0 40 IEAB COCCCNC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O 22253273 LGMMOJXGSONBHT-UHFFFAOYSA-N 436.530 2.436 0 40 IEAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCC2(CC1)OCCO2 24995722 MHQUNPLFEBYZHU-UHFFFAOYSA-N 430.526 2.453 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 32248669 IIBCOFOPWZBGKS-QPPBQGQZSA-N 434.540 2.232 0 40 IEAB O=C(N[C@H]1CCC[C@H](OCC(F)(F)F)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 32402101 FPRCUDXYKQIBBU-AAEUAGOBSA-N 426.395 2.040 0 40 IEAB O=C(NC[C@H](O)COc1ccccc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 32914621 OKJFYBBQNDDWRC-WMJZSHNHSA-N 444.553 2.255 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)NCCCn1nc(-c2ccccc2)ccc1=O 38488115 KOBPALPKOQIXRH-UHFFFAOYSA-N 425.510 2.281 0 40 IEAB COc1cc(OC)cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 38756269 UVQXVADTPPUHNM-UHFFFAOYSA-N 444.469 2.312 0 40 IEAB O=C(NCCN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)C(=O)Nc1ccccc1 59483671 FPQYHNCPVKDWAM-UHFFFAOYSA-N 429.908 2.244 0 40 IEAB NC(=O)Cn1nnn(-c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)c1=O 77100175 PXMMMTCKGHXIEC-UHFFFAOYSA-N 440.891 2.018 0 40 IEAB O=C(NCCCOC[C@H]1CCCO1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 95406694 QYLZIXGYNBAVQD-GOSISDBHSA-N 448.541 2.186 0 40 IEAB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCCN21 104845217 KRSYHPAEUURVAM-OIBPMIBVSA-N 445.475 2.409 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1cccc(N2CCCC2=O)c1)Cc1ccccc1F 225842434 BWLRHXVRBGQXIS-UHFFFAOYSA-N 433.505 2.031 0 40 IEAB O=C(NCc1ccccc1)[C@H]1[C@@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 245229744 FBEYRBZCIYJZCO-DZNIXNCWSA-N 449.551 2.065 0 40 IEAB Cc1nc(NC(=O)CN2CCC[C@@](O)(COc3ccccc3)CC2)sc1C(=O)N(C)C 257270430 MUEMFYQDJNZALV-QFIPXVFZSA-N 446.573 2.388 0 40 IEAB Cc1nc(C)n(CC(=O)N2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)n1 257275288 NORJNEUTZMMSCR-FQEVSTJZSA-N 444.923 2.493 0 40 IEAB Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c1C 408615872 UBBMBXSORYTMGH-FUHWJXTLSA-N 439.512 2.171 0 40 IEAB CCOc1nc(NC(=O)NS(=O)(=O)c2ccc(OC)cc2)nc(-c2ccccc2)n1 1075210 CUMBYBWXYANSII-UHFFFAOYSA-N 429.458 2.456 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 3417632 QISVBLAIKRMFDA-VGOFMYFVSA-N 426.502 2.345 0 40 IEAB O=C(/C=C/c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3557201 PSHIAKMHTCARIM-QPJJXVBHSA-N 432.473 2.143 0 40 IEAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O 9453175 CZXDMIWVMQGLNE-OAHLLOKOSA-N 444.509 2.183 0 40 IEAB Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)no1 9616209 KEYHWQXFUAAMBQ-UHFFFAOYSA-N 434.518 2.247 0 40 IEAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1 9742837 PYGRYBFPQCKKRM-LJQANCHMSA-N 429.542 2.053 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3cccs3)CC2)c(C)c1 10021480 NQOYVBSTCAAYDG-SOFGYWHQSA-N 448.566 2.454 0 40 IEAB O=C1c2ccccc2C(=O)N1CCSc1nnc(N2CCCC2)n1C[C@H]1CCCO1 10516501 BBXZLYCRWFZBHJ-OAHLLOKOSA-N 427.530 2.446 0 40 IEAB Cc1cc(N2CCN(CC(=O)Nc3oc(C)c4c(C)n[nH]c(=O)c34)CC2)nc(C(C)C)n1 10924712 TVQKKZZTIYTYEM-UHFFFAOYSA-N 439.520 2.115 0 40 IEAB COc1cc(CN2CCc3nc4cc(C(C)(C)C)nn4c(O)c3C2)ccc1OCC(N)=O 12142925 DKPQHPPXLXEHQI-UHFFFAOYSA-N 439.516 2.163 0 40 IEAB CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@@H](C)CCCN(CC)CC)c3=O)cc1 12234076 RSBKJSOWAJIYDD-KRWDZBQOSA-N 442.564 2.429 0 40 IEAB CSc1nc2ccc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cc2s1 12549819 DHHNXXSWOYXSGX-LLVKDONJSA-N 438.556 2.122 0 40 IEAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 15190612 FYQFPCZTYJLDII-UHFFFAOYSA-N 448.526 2.378 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 15316369 HJVPFPSIXXAIKI-UHFFFAOYSA-N 431.848 2.237 0 40 IEAB CCCCCCS(=O)(=O)CCOCCOC[C@H](O)CS(=O)(=O)CCCCCC 16638353 BQDOOGKFHLJKSY-IBGZPJMESA-N 444.656 2.371 0 40 IEAB CC(C)(C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)C1 19081247 LFHZFDAJDKKPSU-HNNXBMFYSA-N 425.533 2.482 0 40 IEAB CCCn1c(SCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)n[nH]c1=O 19315454 ZDLVPMSVGJZXSN-UHFFFAOYSA-N 429.468 2.441 0 40 IEAB O=C([C@H]1CCOC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349280 KLEIQXSPYQIWMK-OXJNMPFZSA-N 426.492 2.167 0 40 IEAB COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4ccc(=O)[nH]n4)C3)cc2)cc1 19558247 KXEIOTHHPKGLAU-RUZDIDTESA-N 446.507 2.396 0 40 IEAB Cc1cc(C)cc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 22229447 PJMDXYODSJCRTE-UHFFFAOYSA-N 429.542 2.385 0 40 IEAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Oc1ccccc1 22797846 AOLOFSZDEKUUSU-SFHVURJKSA-N 429.542 2.222 0 40 IEAB Cc1sc2nc(CN3CCN(C(=O)Cc4cn5ccsc5n4)CC3)[nH]c(=O)c2c1C 23908292 NPJYFVYUSMJZDJ-UHFFFAOYSA-N 442.570 2.198 0 40 IEAB CC[C@H](CNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)N1CCCC1 24800290 HJEQMKZMTWFXRD-CQSZACIVSA-N 444.395 2.494 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NC[C@H]3CCCO3)cc2c1 26099862 CWEZUANGZRPGML-HXUWFJFHSA-N 444.601 2.024 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc4c(c3)OCCO4)CC2)cc1 27075527 VBRVHRGQRCLUAJ-UHFFFAOYSA-N 430.526 2.232 0 40 IEAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 27181268 UJMBXYPZEKCXKZ-UHFFFAOYSA-N 427.490 2.040 0 40 IEAB CCn1c(N2CCN(C(=O)NC3CCCCC3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555657 RTGQEABPTCXNBU-UHFFFAOYSA-N 441.532 2.352 0 40 IEAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)c1 31065162 GWRMPTLUOGGPJZ-DOTOQJQBSA-N 426.469 2.477 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)NCc1cccs1 36384458 RBTRAPFXWCZNLF-UHFFFAOYSA-N 447.504 2.390 0 40 IEAB Cc1cc(NC(=O)COc2coc(CN3CCN(c4ccccc4F)CC3)cc2=O)no1 56949841 KTFZRCCZVCTTFP-UHFFFAOYSA-N 442.447 2.415 0 40 IEAB CS(=O)(=O)Nc1ccc(F)cc1C(=O)N1CCCN(C(=O)c2ccsc2)CC1 64302362 ZXUPTWCTELYODQ-UHFFFAOYSA-N 425.507 2.247 0 40 IEAB Cc1c(C(=O)N(C)Cc2ccco2)nnn1-c1cccc2c1CCN(c1nccc(N)n1)C2 71890400 HDYPKKYJXSMXHQ-UHFFFAOYSA-N 444.499 2.376 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)NC[C@@H]3CCCO3)CC1)CC2=O 72327712 FBCPUZNFSYFUEH-DLYSWHJUSA-N 430.501 2.095 0 40 IEAB CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)nc2c1CN(C(C)=O)CC2 72372341 BWGVFSXEOPAMLA-LJQANCHMSA-N 447.536 2.478 0 40 IEAB C[C@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CN1Cc1ccccc1 79100047 QELNPCHHPKVLMX-UGKGYDQZSA-N 429.586 2.460 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1 96103755 LWWQXNPOESAVLR-UHFFFAOYSA-N 430.452 2.460 0 40 IEAB COc1ccc(N2C(=O)/C(=C\N[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c(OC)c1 101189223 PDDXXBCNVRDFIM-IIMQCXAKSA-N 442.493 2.008 0 40 IEAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5)no4)[C@@H]3C2=O)c1 101311490 BLSIYFGHEHLTRV-ROUUACIJSA-N 434.412 2.247 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 101656196 NWSJRKVKWADPHV-GVAFMPQTSA-N 443.916 2.496 0 40 IEAB CCc1ccc2c(c1)[C@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 105348034 ZUBIIHQUYPUKHA-XOWSPFIPSA-N 425.529 2.073 0 40 IEAB Cn1c(=O)oc2ccc(S(=O)(=O)N[C@H]3CCN(c4ccc(C(F)(F)F)cn4)C3)cc21 206792131 YHKITVNWGACYPA-LBPRGKRZSA-N 442.419 2.103 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223583268 XBTHNAYXBXQFTG-RLLQIKCJSA-N 425.529 2.190 0 40 IEAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225559378 XSDGQBQPGJNJRN-UHFFFAOYSA-N 431.514 2.098 0 40 IEAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)C(C)(C)NC(=O)c2ccccc2F)C1 257310841 UGVPICOTOOLXCY-QHCPKHFHSA-N 426.492 2.036 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408658053 KRPMUGRQAATUAZ-UVPINQTDSA-N 426.469 2.009 0 40 IEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)n1 6016363 MIDMHPNUFYPTSM-UHFFFAOYSA-N 438.575 2.484 0 40 IEAB Cc1cc(C)nc(SCCCn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 6320622 DJQZWIBMUBNDOT-UHFFFAOYSA-N 429.550 2.003 0 40 IEAB Cc1c(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c(=O)n(-c2ccccc2)n1C 9120572 DATSFLDRNKJRFE-UHFFFAOYSA-N 448.479 2.407 0 40 IEAB O=C1[C@@H]2C3C=CC([C@H]2C(=O)N1Cc1ccccc1)[C@H]1C(=O)N(Cc2ccccc2)C(=O)[C@H]31 9233038 WGRLPZUHNOHHBF-JZHHSBMOSA-N 426.472 2.405 0 40 IEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccccc1Br 9314507 WKTBYZGLXJYDFP-UHFFFAOYSA-N 443.301 2.464 0 40 IEAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1nnc(C2CC2)s1 9329118 JMZXATZQYKHPAG-UHFFFAOYSA-N 433.519 2.281 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1c(=O)oc2ccccc21 9509958 QAWVPHNKNNLQIB-UHFFFAOYSA-N 445.497 2.416 0 40 IEAB O=C(COC(=O)c1ccccc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9561955 YSZOBTKTNWAUNB-UHFFFAOYSA-N 438.889 2.156 0 40 IEAB CN1C(=O)C(=C(Nc2ccc(F)cc2)SCC(=O)NCc2ccco2)C(=O)N(C)C1=O 9973691 BVCDIOUVHHAABV-UHFFFAOYSA-N 446.460 2.142 0 40 IEAB CCCN(C(=O)COC(=O)c1ccccc1NCc1ccco1)[C@H]1CCS(=O)(=O)C1 11330259 NSBZCUUVNXUMSJ-INIZCTEOSA-N 434.514 2.474 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc1-n1cnnn1 12371426 GARJGVMTVYQKAC-UHFFFAOYSA-N 431.865 2.311 0 40 IEAB COC(=O)c1ccc(N(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c2cccs2)cc1 12488051 JKFJASAKYAGUDJ-UHFFFAOYSA-N 431.514 2.212 0 40 IEAB CCCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)[C@@H]1CCS(=O)(=O)C1 12784699 ONHUIAUPLKCZMG-OAHLLOKOSA-N 430.482 2.115 0 40 IEAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2ccc(Cl)cc2)cc1 13371722 LTTVRLVIBLKIGY-OALUTQOASA-N 443.974 2.120 0 40 IEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)Nc1ccc(CN2CCOCC2)cc1 13690141 CZAVOIGMWWRSMS-UHFFFAOYSA-N 434.496 2.192 0 40 IEAB COC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc(C(=O)OC)c1 15012982 UVBUPXKTSSFGNU-UHFFFAOYSA-N 446.481 2.297 0 40 IEAB CS(=O)(=O)c1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 16975322 RDPUVVJNSDGTNR-CQSZACIVSA-N 428.557 2.334 0 40 IEAB Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)no1 18422218 DRGUQSPVJIFQFM-SFHVURJKSA-N 433.420 2.372 0 40 IEAB CN(C(=O)CN1CCO[C@H](c2nccnc2-c2ccc(C(N)=O)cc2)C1)C1CCCCC1 19693207 UOCLZALVRLOBTC-FQEVSTJZSA-N 437.544 2.407 0 40 IEAB CCOc1ccc(S(=O)(=O)CCC(=O)N2CCC(Cc3cc(N)nc(C)n3)CC2)cc1 19758773 ICHPMELQONLVKI-UHFFFAOYSA-N 446.573 2.411 0 40 IEAB COc1ccc(N(CC(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)cc1OC 22334277 QMRXVDLGPJDXFX-INIZCTEOSA-N 436.530 2.362 0 40 IEAB O=C(CN1CCN(CN2C(=O)C3(CCCCCC3)N=C2O)CC1)Nc1ccc(F)cc1 22919073 KGIYNSVIGGRMQZ-UHFFFAOYSA-N 431.512 2.189 0 40 IEAB O=C(NCC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2 23642559 AIWYRWYAYLSJRH-UHFFFAOYSA-N 445.903 2.022 0 40 IEAB CCOC(=O)C1=C(Cn2nc(-c3cccs3)oc2=O)NC(=O)N[C@H]1c1cccs1 25211246 CZVKNYMDZCNMCB-AWEZNQCLSA-N 432.483 2.498 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 25341230 PQOHUBBXBGQPEY-QHCPKHFHSA-N 448.523 2.004 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 27047540 DPCHTIKRXNFSBW-UHFFFAOYSA-N 445.589 2.368 0 40 IEAB COc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc4c(c3)OCO4)[C@@H]2C(=O)C(F)(F)F)cc1 27754017 PQRKJNKIHJNOFV-JTDSTZFVSA-N 438.358 2.371 0 40 IEAB Cc1ccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)c1 34887559 SETXIHXMVKIGJD-UHFFFAOYSA-N 448.520 2.097 0 40 IEAB O=C(O)CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(-c4nccs4)cc3)cc21 40071337 AJCGBQIANLUGMI-UHFFFAOYSA-N 445.478 2.421 0 40 IEAB COCCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 40129602 LJIBQKKBBZSHIX-UHFFFAOYSA-N 425.551 2.063 0 40 IEAB C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)CN1CCCCC1 40156764 VGKOKZGNYPBHGJ-GOSISDBHSA-N 443.635 2.262 0 40 IEAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)NCc3ccc(Cl)cc3)c2=O)CC1 49409187 JXXNHNNBTFQHKH-UHFFFAOYSA-N 437.949 2.239 0 40 IEAB CN1CCN(CCN(Cc2ccc(Br)cc2F)C(=O)[C@@H]2CCOC2)CC1 72280900 IIJIIXRFBVVLPY-MRXNPFEDSA-N 428.346 2.201 0 40 IEAB COc1ccc(NC(=O)c2nnn(CC(=O)Nc3cccc(Cl)c3)c2N)c(OC)c1 72333340 QGXUTVBVRRNSPR-UHFFFAOYSA-N 430.852 2.422 0 40 IEAB O=c1ccc(-n2ccnc2)nn1CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 77197056 PAJWPJPZKLPUTF-UHFFFAOYSA-N 447.826 2.080 0 40 IEAB CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)nc21 77197626 NZEFXEDYCJYORW-GJZGRUSLSA-N 429.498 2.102 0 40 IEAB Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CCN(C1CCOCC1)C2 84060879 GHXBFVIZLNJNEM-LJQANCHMSA-N 425.533 2.022 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2nc3cc(CC)nc(-c4cccnc4)n3c2=O)cc1 90610063 AXSPOJDSLFSWCZ-UHFFFAOYSA-N 446.467 2.331 0 40 IEAB CSc1ccc([C@H](CC(=O)O)NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)cc1 95989633 PNVDBYYXEYUTSS-KRWDZBQOSA-N 434.539 2.490 0 40 IEAB COc1ccc(CCN2C(=O)[C@@H](CCC(=O)N[C@H]3CCOC(C)(C)C3)N=C2O)cc1OC 101413875 HHICWVJKBOVZDE-DLBZAZTESA-N 447.532 2.225 0 40 IEAB COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 222795280 GXVBRAJWNVHISH-UHFFFAOYSA-N 434.514 2.066 0 40 IEAB CCc1ccccc1N(CC(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O 224713796 MCOOHSPJULZBGR-UHFFFAOYSA-N 445.585 2.164 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)ccc21 225106648 JDKLJVBMOAHPJI-MRXNPFEDSA-N 433.511 2.249 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(SC)s3)CC2)cc1 225503164 CNNGJCSDFDXCEA-UHFFFAOYSA-N 428.561 2.308 0 40 IEAB CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cccc(OC)c1)S(C)(=O)=O 260899274 KTHUCKANWGFXKJ-ROUUACIJSA-N 434.514 2.196 0 40 IEAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306129357 IBHADMZXZRCPNH-CYFREDJKSA-N 447.543 2.251 0 40 IEAB COc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408654857 GXNOMTKOPNIYDB-YJKZWKBDSA-N 428.485 2.233 0 40 IEAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@H]12 409334632 LPLHTKVNPSEHIT-AFMUBRCDSA-N 433.844 2.304 0 40 IEAB CCc1nc(N2C[C@H]3CN(C(=O)c4cncc(Br)c4)C[C@H]3C2)nc(O)c1F 1888875762 FXSRVDZWSQYYMZ-TXEJJXNPSA-N 436.285 2.250 0 40 IEAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1067198 BVUGPYTXBVMXRZ-UHFFFAOYSA-N 432.433 2.149 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCC(=O)c1ccccc1F 3238382 OICYYLRBKIAGDH-UHFFFAOYSA-N 435.473 2.205 0 40 IEAB COc1ccc(C)cc1-n1nnnc1SCC(=O)N(C)CC(=O)Nc1ccc(F)cc1 3347982 UWRUCZUSHBGEQW-UHFFFAOYSA-N 444.492 2.308 0 40 IEAB Cc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 8734417 XZRULZYAMYPDNC-UHFFFAOYSA-N 429.542 2.467 0 40 IEAB CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccc(F)c(F)c3)c2n1 8947234 JXUFFIMPOUKMMK-UHFFFAOYSA-N 434.472 2.093 0 40 IEAB O=C(NC[C@@H]1CCCO1)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 9245312 HCXNCGDUODVCCP-HNNXBMFYSA-N 445.472 2.377 0 40 IEAB CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 9673282 VVHISCRNPSCXBN-RXAXTNIFSA-N 437.606 2.350 0 40 IEAB C[C@H](NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc2c(c1)OCCO2 9871237 IHQOZMXPIUOIOQ-HNNXBMFYSA-N 431.452 2.231 0 40 IEAB COc1cc(C(=O)OCC(=O)N(C)Cc2c(F)cccc2Cl)ccc1OCC(N)=O 10903236 DKIUJQVVCANFPI-UHFFFAOYSA-N 438.839 2.167 0 40 IEAB CC(=O)Nc1cccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2Cc2ccccc2)c1 11845048 OYDPNOJXHAZOSK-UHFFFAOYSA-N 445.479 2.298 0 40 IEAB Cc1cc(C)n2nc(CC(=O)N[C@@H]3C[C@]4(CCC(=O)N(C)CC4)Oc4ccccc43)nc2n1 12086436 FTJOQJLRXNNXKI-HOYKHHGWSA-N 448.527 2.305 0 40 IEAB O=C1C[C@@H](C(=O)NCCc2ccccc2)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 12407687 MJFHAOOYPKKDER-LJQANCHMSA-N 443.507 2.117 0 40 IEAB Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)nn1C 12443012 UGGSZYFHGIIQGG-UHFFFAOYSA-N 430.490 2.205 0 40 IEAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 12715545 GKDOMOOAVQWDRB-ZDUSSCGKSA-N 429.546 2.304 0 40 IEAB C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(S(=O)(=O)/C=C/c3ccccc3)CC1)C2=O 13062906 ZDDAMJAIBISTMH-JFAWEDBCSA-N 446.573 2.063 0 40 IEAB CC[C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccc(C)cc1)S(C)(=O)=O 13713815 SCPKQDPHELIGLV-KRWDZBQOSA-N 430.530 2.369 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)Cc1c[nH]c2ccccc12 15637940 GOWPUKTUBHDAOP-UHFFFAOYSA-N 442.541 2.294 0 40 IEAB CCN(C(=O)[C@@H](C)OC(=O)COc1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 15852785 MROPRCCTSXILFK-WBVHZDCISA-N 425.547 2.330 0 40 IEAB COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(OC)c1OC 18132902 OZTKEFJKMCKQTA-UHFFFAOYSA-N 427.501 2.417 0 40 IEAB Cc1ccc2cc(C)c3nn(CCNC(=O)[C@H]4CSC(c5cccnc5)=N4)c(=O)n3c2c1 19234279 CTAVJQLKXQRVIY-GOSISDBHSA-N 446.536 2.339 0 40 IEAB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N4CCC[C@@H](C(N)=O)C4)c23)C1 24107280 ZFMICXHWTHOCBP-LSDHHAIUSA-N 429.590 2.350 0 40 IEAB COc1cccc(NC(=O)Cn2nc(N3CCN(Cc4ccccc4)CC3)ccc2=O)c1 49549032 XJWHQUQRFVADKE-UHFFFAOYSA-N 433.512 2.213 0 40 IEAB CCCCCn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C 57010935 NFECPYZUSBWRBL-UHFFFAOYSA-N 442.539 2.085 0 40 IEAB O=C(CNS(=O)(=O)c1c(Br)cc(F)cc1Br)N1CCCC1 62581763 DZDFIMYYLGTZFV-UHFFFAOYSA-N 444.120 2.251 0 40 IEAB Cc1ccnc(Oc2ccc(C(=O)NCCNc3cc(N4CCOCC4)nc(C)n3)cc2)n1 70655621 IWZVQEDHQBTAKK-UHFFFAOYSA-N 449.515 2.354 0 40 IEAB COc1cccc(-c2nc(C)c(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)s2)c1 79481164 JKBALFXHHVICBA-MRXNPFEDSA-N 435.571 2.072 0 40 IEAB Cn1c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c(O)c1CN1CCCCCC1 85875664 HSOIAQSJLYVVJJ-MOPGFXCFSA-N 438.572 2.248 0 40 IEAB biogenic CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)s1 225608955 IUNYXIQHJOSKLW-UHFFFAOYSA-N 447.995 2.102 0 40 IEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCC(=O)N1CCCCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253596105 NEUFOWJCOBCVGE-OEDAOFSRSA-N 425.529 2.460 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)c(C)c2)cc1 408675296 VAPPUIAWVDPSPJ-UHFFFAOYSA-N 434.514 2.432 0 40 IEAB CNC(=O)[C@@H](C)NC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O 524730919 CIFTXWNPGSJJRK-TZMCWYRMSA-N 438.436 2.000 0 40 IEAB biogenic CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5cncc(Br)c5)C[C@@H]4C3)nn12 1888913622 DTRGSEYIHCLUJU-KBPBESRZSA-N 442.321 2.053 0 40 IEAB CCOc1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C 932518 WQNATPZIQKVGSO-UHFFFAOYSA-N 431.518 2.144 0 40 IEAB O=C(CSc1ccccc1C(=O)OCC(=O)N1CCNC1=O)Nc1ccc(F)cc1 8744770 LNXGCPQDKCDQRX-UHFFFAOYSA-N 431.445 2.265 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)CC1 9144621 FPMVLEXELYFUQQ-UHFFFAOYSA-N 445.541 2.178 0 40 IEAB CN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)C1=NS(=O)(=O)c2ccccc21 9690118 FVKLMAZGGXHCPY-KRWDZBQOSA-N 441.509 2.202 0 40 IEAB COc1ccc(OC)c(-c2ccc(=O)n(CCNC(=O)COc3ccccc3F)n2)c1 11694462 JJUGRMISRCMGSG-UHFFFAOYSA-N 427.432 2.262 0 40 IEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12760298 CGFGLICOIVGYPF-OAHLLOKOSA-N 429.498 2.085 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)n1 13001489 PFUOYTOZCVTHIB-CQSZACIVSA-N 441.506 2.180 0 40 IEAB O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)NCc1ccccc1 13267157 PMEBKNVMIVXSBS-UHFFFAOYSA-N 430.512 2.106 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N3C[C@H](C)O[C@H](C)C3)[C@@H]2C(C)C)cc1 13856288 ISTXUHJULFKJCO-FCEWJHQRSA-N 425.551 2.213 0 40 IEAB COc1ccc(OC)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 15083327 XEZHWKRSAYAWIC-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB COC(=O)COc1ccc(C(=O)N[C@@H]2CN(C(=O)Nc3ccccc3)CCC[C@H]2O)cc1 15671948 RZJDFKVTEYXQQB-WOJBJXKFSA-N 441.484 2.026 0 40 IEAB biogenic,in-vitro CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 16847558 AZSPGUWBZMXYFB-HXUWFJFHSA-N 445.541 2.160 0 40 IEAB O=C(CN1CCC(N2CCCCC2)CC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 19292004 MNFMIBXRPRYBPM-HXUWFJFHSA-N 441.620 2.236 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@H](C)Cn3cccn3)[nH]c2=O)C1 19501638 YQLQUQWGEMRATA-APWZRJJASA-N 440.548 2.041 0 40 IEAB CCS(=O)(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C2CCCC2)CC4)C1 19520307 XJHKWSHYHBWELE-OAHLLOKOSA-N 433.578 2.265 0 40 IEAB CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)cn1 19525064 NKCIAGWCDJYWAF-SFHVURJKSA-N 434.566 2.081 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20674005 NIMWLTGJKRXGMT-HNNXBMFYSA-N 438.488 2.290 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 21559567 KZELVNSFMGVEJY-HTAPYJJXSA-N 446.887 2.456 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)Nc4c(C)cccc4C)c(=O)c3s2)CC1 21886450 BJLJNTCVDSWFQT-UHFFFAOYSA-N 426.546 2.250 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)c1 22740450 UVPSLKFXZWALLN-CABCVRRESA-N 437.484 2.116 0 40 IEAB CCN1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1 22796789 KWJPBHNYJALXFU-AWEZNQCLSA-N 445.155 2.481 0 40 IEAB CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC1 23862701 AGIZNLRCGFONED-UHFFFAOYSA-N 432.498 2.284 0 40 IEAB CCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)N(C)C1=S 39556728 TWRQKBWPJUBJMA-VXIUPONVSA-N 426.542 2.356 0 40 IEAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2nc(N3CCCCC3)ncc2Cl)cc1 40135764 LCKVLSDHYUMIPW-UHFFFAOYSA-N 437.953 2.100 0 40 IEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1 58121287 VCOMSCPTKQUWRH-UHFFFAOYSA-N 439.497 2.338 0 40 IEAB CC(C)NC(=O)Nc1cccc(C(=O)N(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 59369069 PGVYKNCCKNQISM-UHFFFAOYSA-N 433.486 2.449 0 40 IEAB CCOC(=O)c1csc(NC(=O)[C@@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)n1 70638089 DJMJEIUXEZFKMN-CYBMUJFWSA-N 427.490 2.151 0 40 IEAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)CCCN1C(=O)CNC1=O 72370381 GPKNXIGUNVPQCE-AWEZNQCLSA-N 442.541 2.126 0 40 IEAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@@H](C)Cn3nc(C)cc3C)CC1)CNC2=O 72393341 ZTXJRZSMTRKDRO-HNNXBMFYSA-N 426.517 2.328 0 40 IEAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)O[C@H](C(=O)NCC(C)C)Cn1ccnc12 96091247 BATFEXDBKKSUKQ-SFHVURJKSA-N 446.573 2.043 0 40 IEAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCC3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 100430744 XPWQOLVPEJXEGD-YBZAYSDLSA-N 429.561 2.053 0 40 IEAB O=C(Cn1c(=O)/c(=C\c2ccsc2)s/c1=C/C(=O)c1ccco1)NC1CCCC1 105049532 HBBJXWAXYCRWSE-BFLVDURVSA-N 428.535 2.115 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](Oc2ccccc2F)C[C@@H]1C(=O)OC 206805373 NGLAWUAVBWSJHM-WCQYABFASA-N 443.474 2.057 0 40 IEAB COc1cccc(N([C@@H](C)C(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 220186411 BQNYXYCAKBCVKY-LBPRGKRZSA-N 436.515 2.278 0 40 IEAB CC[C@@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220752038 CQBQVPIGQMCMDY-INIZCTEOSA-N 446.953 2.305 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223209430 DBAWNUDKLBLQJW-HXUWFJFHSA-N 449.548 2.454 0 40 IEAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223472834 ADUYFNRBLPUDBZ-FQEVSTJZSA-N 431.558 2.049 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223606771 HVJDQSHXKSEMNU-SFHVURJKSA-N 431.558 2.314 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1C(=O)N1CCOCC1 224005680 VJEHMHHKDMYZAC-UHFFFAOYSA-N 448.541 2.142 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCC2)c1)c1ccc2c(c1)OCO2 224606165 CPCZYEDCOGXHSV-UHFFFAOYSA-N 445.541 2.094 0 40 IEAB CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OCC 225561787 FGNVVZFLFIBBEZ-UHFFFAOYSA-N 448.541 2.435 0 40 IEAB COc1ccccc1[C@H]1CN(CC(=O)NCc2nc3ccccc3n2C)CCN1C(C)=O 257308981 TYZQSJUDWZXAJY-OAQYLSRUSA-N 435.528 2.104 0 40 IEAB CCOC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 408561666 UVBDJZKSFOFYQN-UHFFFAOYSA-N 447.513 2.490 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 408617539 HAWQLZMQWMLTGA-FMIVXFBMSA-N 442.585 2.157 0 40 IEAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 408661910 WKKRCFVRXFHVAV-INIZCTEOSA-N 440.452 2.407 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)no1 408668643 VGRDALFXPQXXSF-VUCTXSBTSA-N 425.441 2.704 0 40 IEAB C[C@@H](C(=O)NCCSCc1ccco1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704114 JRIPUSJTZCAFHH-AWEZNQCLSA-N 440.543 2.255 0 40 IEAB Cc1ccccc1C(=O)N1CCC2(CC1)Cc1nn(Cc3ccc(F)cc3)c(=O)c(=O)n1C2 585105970 NJNXRPDWKGBAEI-UHFFFAOYSA-N 448.498 2.380 0 40 IEAB CN(C)S(=O)(=O)N1CCC(CNC(=O)CCc2ccccc2Br)CC1 618256006 MEBBYTFOKQVLLJ-UHFFFAOYSA-N 432.384 2.016 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3)cc2)nn1 3096207 VQICTWJJMHIAAD-UHFFFAOYSA-N 443.510 2.413 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)CSCC(=O)Nc2ccc(Cl)cc2)cc1 3355162 OMTGIQBPBPHMKI-UHFFFAOYSA-N 441.962 2.018 0 40 IEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1 4569510 KVXLBEREBIZLMG-INIZCTEOSA-N 425.576 2.024 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc4c(c3)OCO4)c(=O)c2[C@H]1c1cccnc1 8789363 AAAKNWZKGIPFED-LJQANCHMSA-N 447.447 2.196 0 40 IEAB biogenic O=c1[nH]c(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2)nc2ccccc12 9410344 CPXYKDPSLRJMNE-SJORKVTESA-N 426.523 2.198 0 40 IEAB Cn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc2c1=O 9545344 BVWFVCZQKPPZFI-UHFFFAOYSA-N 426.498 2.360 0 40 IEAB O=C(NCCc1ccc2c(c1)OCCO2)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 9579373 IPHKLYFUEBLWOX-INIZCTEOSA-N 436.555 2.279 0 40 IEAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 10022648 RGWWUQCWJBHWPS-OAHLLOKOSA-N 449.504 2.278 0 40 IEAB COCCn1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc2c([nH]c3ccccc32)c1=O 10245318 XJLRMMDYGGLOKP-ZIAGYGMSSA-N 430.530 2.252 0 40 IEAB COc1ccccc1CNC(=O)CSCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 11866073 NSPHCALIRXAVLP-UHFFFAOYSA-N 429.498 2.499 0 40 IEAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1S(=O)(=O)N(C)C 12548678 SIELPDLWMQHMBV-UHFFFAOYSA-N 432.907 2.398 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)OCc2nc(-c3ccccc3)no2)c1 12791662 XKYVIMPGPYJBIJ-UHFFFAOYSA-N 429.454 2.351 0 40 IEAB C[C@@]1(NC(=O)CSc2nnc(NCCc3cccs3)s2)CCS(=O)(=O)C1 13004666 FFJYRMHSDWBKPI-OAHLLOKOSA-N 432.618 2.040 0 40 IEAB COCc1c(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 13055778 WNQDKFNEFDYYBZ-OAHLLOKOSA-N 437.514 2.408 0 40 IEAB COCCNC(=O)[C@@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1 13508369 TUJQIMTUZSSFGD-JOCHJYFZSA-N 448.483 2.265 0 40 IEAB O=C(N1CCOCC1)N1CCN(Cn2nc(C3CC3)n(-c3ccccc3)c2=S)CC1 14302785 FKSZZYXGWOBIQF-UHFFFAOYSA-N 428.562 2.308 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(C)c(C)c3)CC2)cc1 15729997 IRROEGVMGJPOBI-UHFFFAOYSA-N 431.558 2.048 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 15935407 ASODOHHSUUHRIJ-UHFFFAOYSA-N 443.635 2.356 0 40 IEAB C[C@H](C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)N1CCOCC1 19079940 OHMLQRAVOZVYGK-QGZVFWFLSA-N 429.540 2.028 0 40 IEAB O=C(c1ccc2c(c1)OCCO2)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 19375704 OUIUDWUJHHGLSK-HXUWFJFHSA-N 429.498 2.040 0 40 IEAB CC1CCC(N2CCC[C@@H](c3nc(O)c4c(n3)CCN(S(=O)(=O)N(C)C)C4)C2)CC1 19495948 QDZJYYKEFVCNAI-AQFXKWCLSA-N 437.610 2.105 0 40 IEAB COc1ccccc1C(=O)NC(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 21185192 PBQPHWFEBXTZRA-UHFFFAOYSA-N 439.468 2.439 0 40 IEAB COc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 22229102 OLVFCUKQZUTXBH-UHFFFAOYSA-N 445.541 2.167 0 40 IEAB COCCn1nnnc1[C@H](c1ccc(OC)cc1OC)N1CCN(C2CCCCC2)CC1 22928881 IRAKABVEIGFNHF-QFIPXVFZSA-N 444.580 2.376 0 40 IEAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 24785084 HNOUOTWHELXDTI-UHFFFAOYSA-N 430.482 2.216 0 40 IEAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 24822506 AKONTHPJBMJOIL-INIZCTEOSA-N 444.495 2.421 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2OC(F)F)cc1 28222141 NHIOTWOGXJRIAM-UHFFFAOYSA-N 428.413 2.268 0 40 IEAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)N[C@]1(C)CCS(=O)(=O)C1)OCCO3 36389938 NOXRABLQBYWTMH-OPAMFIHVSA-N 448.585 2.340 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 39702141 RWALUKLQIWPYCS-UHFFFAOYSA-N 446.481 2.442 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1Cn1ncc2ccccc2c1=O 40082998 MFBTZRGQPZTPBK-QFIPXVFZSA-N 428.496 2.330 0 40 IEAB CCn1c(=O)[nH]c2c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)snc2c1=O 49409801 TZBBJDKQIXRRFS-UHFFFAOYSA-N 433.921 2.090 0 40 IEAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 58014349 OOHUTMWEUTWFHA-FQEVSTJZSA-N 428.512 2.156 0 40 IEAB O=C(C[C@H](CN1CCN(c2ccccc2)CC1)C(=O)O)Nc1ccc2c(c1)OCCO2 61721251 TUKZJLXIEHIODA-QGZVFWFLSA-N 425.485 2.309 0 40 IEAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c1CCO 67301039 CCZVXRDOKMMXFX-UHFFFAOYSA-N 439.443 2.303 0 40 IEAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)C2(O)CCN(C)CC2)C1 72352317 HWMJBVHPZWJXLA-MRXNPFEDSA-N 445.585 2.050 0 40 IEAB Cc1cccnc1CN1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccnc2)CC3)CC1 72399012 ORRLVFLZWGQAHW-UHFFFAOYSA-N 444.539 2.446 0 40 IEAB CN(CCCC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)C(=O)OC(C)(C)C 79025049 UVGAUVIBWSBHJY-UHFFFAOYSA-N 426.602 2.376 0 40 IEAB CN(CCCNS(=O)(=O)c1c(F)cccc1F)S(=O)(=O)c1c(F)cccc1F 79048777 YEJRFJFUDZVHQA-UHFFFAOYSA-N 440.440 2.232 0 40 IEAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)O1 96144890 DFPGPGOIQHZBSN-LJQANCHMSA-N 446.573 2.139 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)O)CC1 100771513 KIDORVQUOANXCJ-MTSZKFMLSA-N 441.569 2.438 0 40 IEAB O=c1c(CN2CCc3ccccc3C2)coc(O)c1CN1CCN(C2CCOCC2)CC1 101374357 BVPDDTSRSLQTEX-UHFFFAOYSA-N 439.556 2.200 0 40 IEAB O=c1c(CN2CCCCC2)coc(O)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 101412372 RISYGLCKDWBNRU-UHFFFAOYSA-N 441.528 2.378 0 40 IEAB C[C@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)Nc1ncc(Cl)cc1Cl 101510060 STIUFXKINYWTDP-DLOVCJGASA-N 428.272 2.434 0 40 IEAB CC(=O)c1cccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)c1 216459470 QVVUMJWEKBDUCN-UHFFFAOYSA-N 440.525 2.466 0 40 IEAB COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc2O1 222539352 SIRZTYUPMPDMIF-UZLBHIALSA-N 444.509 2.055 0 40 IEAB C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(Cc1ccccc1)[C@H]3C(=O)NC1CCCC1)[C@H]2C(=O)NC1CC1 245229556 ATOYAMUCSJBORR-SUVMOZOHSA-N 449.551 2.065 0 40 IEAB Cc1cccc(N2C(=O)[C@@H]3C=C[C@@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C[C@H]3C2=O)c1 248135698 ZQSQZUXEKWFBQC-VAMGGRTRSA-N 430.464 2.002 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 257276704 NUVJHJJUQKBPBQ-DNVCBOLYSA-N 439.491 2.008 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1 408616765 AXJHDZBCXKODHR-UHFFFAOYSA-N 431.558 2.445 0 40 IEAB COc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 408661873 WFQCLPCXQALWID-CYBMUJFWSA-N 445.859 2.024 0 40 IEAB C[C@H](NC(=O)CNS(=O)(=O)c1ccc(I)cc1)c1ccccc1 408998796 OLPXFHDDGLYFMH-LBPRGKRZSA-N 444.294 2.447 0 40 IEAB CCCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)O)cc2Br)NC1=S 409086441 VOSNAIJRDYHOJM-WZUFQYTHSA-N 429.292 2.389 0 40 IEAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ncccn2)n1C 409161784 AYGTZOKNIRBJLN-INIZCTEOSA-N 425.518 2.463 0 40 IEAB COc1cc(OC)c(OC)cc1/C=C1\SC(=O)N(CC(=O)NC[C@H]2CCCO2)C1=O 409217875 XWJVKKNEHCPGEZ-RSQQOUAVSA-N 436.486 2.044 0 40 IEAB Cc1cc(C)cc(S(=O)(=O)N2Cc3ccnn3[C@@H](CC(=O)NCC3CCOCC3)C2)c1 585095159 GUFYVKHUFSDRRT-FQEVSTJZSA-N 446.573 2.178 0 40 IEAB O[C@H]1CCN(Cc2cccc(OCCn3cccn3)c2)C[C@]1(O)COc1cccc(F)c1 585282182 YXGWBBKWRSQFIN-ZEQRLZLVSA-N 441.503 2.478 0 40 IEAB NC(=O)C[C@@]1(COc2ccc(F)cc2)CN(C(=O)CCOc2ccc(F)cc2)CCO1 585282920 JQXLJXIBTRMFKN-QFIPXVFZSA-N 434.439 2.286 0 40 IEAB CC(C)OC[C@@H](O)CNC(=O)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584771 SAGQSDWKZAIJHF-QHCPKHFHSA-N 442.556 2.292 0 40 IEAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c12 2061581 KMBZKANPCUTVOD-PMFHANACSA-N 426.542 2.186 0 40 IEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCc1ccc3c(c1)OCCO3)C2=O 3422543 DVLKZWKOFMMBGP-IQMFZBJNSA-N 429.517 2.253 0 40 IEAB CCNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)c1 9223729 GFMYAXWZATYVLZ-HOTGVXAUSA-N 445.541 2.487 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N(C)Cc1ccccc1)c(=O)n2Cc1ccccc1 9363973 VUANJSKLJQNEOB-UHFFFAOYSA-N 431.496 2.087 0 40 IEAB CCN(C(=O)CSc1nnc(Nc2ccc(OC)cc2)s1)[C@@H]1CCS(=O)(=O)C1 9662975 VLGBTEHOGYVBEC-CYBMUJFWSA-N 442.588 2.418 0 40 IEAB O=C(NC[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1Cl 9807075 QDIOVRFNGUJVIN-GFCCVEGCSA-N 427.935 2.310 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 10447184 PDUKEIOBKOWDOJ-UHFFFAOYSA-N 448.497 2.348 0 40 IEAB CCOc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1S(=O)(=O)N(CC)CC 11547251 JKUKJLOWODUFCG-AWEZNQCLSA-N 437.518 2.466 0 40 IEAB CN(CC(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 11753008 LXOPMCULXCEJBK-UHFFFAOYSA-N 431.514 2.317 0 40 IEAB O=C(c1ccc(N2CCCCS2(=O)=O)cc1Cl)N1CCN(c2ncccn2)CC1 12194775 IRGKWBOHZKGQDB-UHFFFAOYSA-N 435.937 2.022 0 40 IEAB C[C@]1(CSc2ccccc2C(=O)NCCc2ccc3c(c2)OCCO3)NC(=O)NC1=O 12913502 KMBZHGOIROTORR-JOCHJYFZSA-N 441.509 2.121 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3=O)CC2)cc1 13129231 LITKSQWPWGQYFQ-UHFFFAOYSA-N 435.590 2.339 0 40 IEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 13165062 PIDLYGBWVOKXKJ-DEOSSOPVSA-N 435.480 2.200 0 40 IEAB CCCCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(=O)NCCCO)CC3)ccc12 13607981 SKOGOJDVEGTPLQ-UHFFFAOYSA-N 444.528 2.252 0 40 IEAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)[C@@H](C)NC(=O)c1ccccc1 14244173 RELUYZLZAQLOKO-CQSZACIVSA-N 438.484 2.107 0 40 IEAB COc1cn2c(cc1=O)C(=O)N(CCNC(=O)C(c1ccccc1)c1ccccc1)CC2 16850463 TVLWVEYGORHBSH-UHFFFAOYSA-N 431.492 2.261 0 40 IEAB CC(C)NC(=O)[C@H]1CN(C(=O)c2cc(C3CC3)on2)C[C@@H]1c1ccnc(N2CCCC2)n1 19450064 CKRKBRTWFJUGFD-IRXDYDNUSA-N 438.532 2.323 0 40 IEAB Cc1nn(C(C)C)cc1S(=O)(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19583273 LQWCZLBKINQXJJ-INIZCTEOSA-N 428.518 2.096 0 40 IEAB O=C(NCCO)c1sc2ccccc2c1[C@@H]1CN(C(=O)CN2CCCCCC2)CCO1 19697652 WKHKVOUCFMMIKG-SFHVURJKSA-N 445.585 2.399 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)COc3cccc(N(C)C)c3)C2)ncc1C(=O)N1CCCC1 19757421 GYTOBNYMUYYDGR-SFHVURJKSA-N 437.544 2.482 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CC4)ccc21 19819468 NIOJMYFLQVIWKJ-UHFFFAOYSA-N 449.554 2.109 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 22307740 NILIXAVETUAWDC-UHFFFAOYSA-N 446.497 2.059 0 40 IEAB COc1cc(NC(=O)C[C@H]2N=C(NC(=N)Nc3ccccc3)N=C2O)cc(OC)c1OC 22607392 JEAMRGAAADANLW-CQSZACIVSA-N 440.460 2.372 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)NC2CCN(C(=O)C3CC3)CC2)c1C 32908692 VOKVRXLCIRVLRZ-QGZVFWFLSA-N 435.590 2.104 0 40 IEAB O=C(COc1ccc(Br)cc1F)N1CCC[C@H](C(=O)N2CCOCC2)C1 37136769 SINRTEZLEQTWNH-ZDUSSCGKSA-N 429.286 2.064 0 40 IEAB Cn1c(=O)[nH]c(=O)c2c1nc(NCCC(c1ccccc1)c1ccccc1)n2CC(=O)O 69534041 GPSBPBDBXHCTPQ-UHFFFAOYSA-N 433.468 2.142 0 40 IEAB COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN(CC(C)C)c3cccc(O)c3)C2=O)c1 72308470 MVJDRXRIXHXJCG-HSZRJFAPSA-N 440.500 2.362 0 40 IEAB O=C1N[C@]2(CCCN(C(=O)CCCn3cnc4ccccc4c3=O)C2)Nc2ccccc21 72347561 QVYJQJKDGMPYBL-DEOSSOPVSA-N 431.496 2.351 0 40 IEAB Cc1ccc(OCC(=O)N2CCC3(CC2)CNS(=O)(=O)c2ccccc2OC3)cc1 96145077 SKVUDYOFHLGUFO-UHFFFAOYSA-N 430.526 2.354 0 40 IEAB CC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cnc4ccccc4n3)c(=O)n12 101407922 RHYWQDWQPNZWEW-SCZVPTOKSA-N 442.500 2.218 0 40 IEAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2c(OC)cccc2OC)cc1 222658635 ZQSLOKHINUDJIO-HNNXBMFYSA-N 436.530 2.476 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223048708 KQFGYXZTACHSPP-ZCNNSNEGSA-N 425.529 2.190 0 40 IEAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224125838 GZUAXJGBMAUGQY-ZCNNSNEGSA-N 425.529 2.271 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N[C@H]3CCCC[C@H]3C)CC1)O2 247991605 MWIPZTFIVWOCRH-LNZPYGSCSA-N 443.544 2.264 0 40 IEAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(OCCN)cc3)C2)c2cnccc2n1 257335131 YIUMZZMNTAMVQY-XMMPIXPASA-N 435.528 2.037 0 40 IEAB COc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(Cc4ccc(C)s4)C2)C3)cc1 306138713 SFDIVIJOYHSAHN-QHCPKHFHSA-N 438.553 2.280 0 40 IEAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 408607105 QBDGADRNTNJUJA-IBGZPJMESA-N 445.585 2.485 0 40 IEAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1OC 409210779 LCXFTDXZPNWNPA-BOPFTXTBSA-N 448.497 2.296 0 40 IEAB O=C(NCC[C@@H](NC(=O)c1cnn2ccncc12)c1ccccc1)c1cnn2ccncc12 504777504 UDZNXRMDFRBSHP-LJQANCHMSA-N 440.467 2.063 0 40 IEAB CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCN(C(=O)c2cccn2C)CC1 590122099 KKKQXWMGUFIFRK-QFIPXVFZSA-N 436.556 2.309 0 40 IEAB CCn1cc(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)cn1 643557671 YYBQGJVRRICSDM-QHCPKHFHSA-N 426.517 2.036 0 40 IEAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H]3CCCN3c3ncccn3)CC2)c(C)c1 673841694 DGKIQBLZYFGGIE-PMACEKPBSA-N 437.544 2.201 0 40 IEAB COc1nc(NCc2ccccc2)nc(N(C#N)[C@H](NC=O)C(Cl)(Cl)Cl)n1 2301028 NWBYBALVECOBFD-NSHDSACASA-N 430.683 2.222 0 40 IEAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)NC1CCCC1 3518608 OJRGXHHIBWKKBM-OAHLLOKOSA-N 437.562 2.141 0 40 IEAB CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 8790397 YFTLVPAMEUTPTF-YCNFEULBSA-N 433.574 2.063 0 40 IEAB biogenic Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)Nc2cccc3ncccc23)CC1 9217014 JLOJFOBLPLGUMS-UHFFFAOYSA-N 443.529 2.175 0 40 IEAB O=C(CSc1nnnn1-c1ccccc1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 9580850 COQQNEQWZRVBRN-HNNXBMFYSA-N 449.583 2.032 0 40 IEAB COc1ccc(CNC(=O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1OC 9792690 UFRAHRGQOYINQF-NRFANRHFSA-N 429.498 2.165 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O 9836352 AXXFTKACQIRPQC-GOSISDBHSA-N 437.587 2.017 0 40 IEAB C[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 10732769 QTPMAXBMCNYTPC-AWEZNQCLSA-N 426.454 2.461 0 40 IEAB COc1ccc(-c2nnc3n(Cc4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10968791 KNPSKNUDTSVIKL-UHFFFAOYSA-N 430.468 2.114 0 40 IEAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)n1 12085507 VVWNOMRKOVXKJG-UPCLLVRISA-N 437.544 2.469 0 40 IEAB O=C(CSc1nnc(CNc2ccc(F)cc2)n1C[C@H]1CCCO1)N1CCOCC1 12492534 RDTSCJUGUJIOEY-QGZVFWFLSA-N 435.525 2.159 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(OC)cc2)CC1 12525783 AARJLLJVMXEUED-UHFFFAOYSA-N 447.513 2.410 0 40 IEAB CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 12533545 OXWWNUDUDJKELO-CQSZACIVSA-N 428.967 2.263 0 40 IEAB CCn1c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 12637559 DFNHSTTXZGADBD-UHFFFAOYSA-N 444.539 2.355 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 12817977 GDEIUGHTRCJTOP-WMZOPIPTSA-N 430.501 2.081 0 40 IEAB Cc1nn(C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 12942112 IFYZHUKIIILGCE-UHFFFAOYSA-N 445.372 2.419 0 40 IEAB Cc1sc2nc(-c3cccc(NC(=O)CN4CCC[C@@H](C(N)=O)C4)c3)[nH]c(=O)c2c1C 13027040 ASIOXGZVXOYKOI-OAHLLOKOSA-N 439.541 2.404 0 40 IEAB O=C(COC(=O)Cc1ccc(O)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 14094337 IIXSXNNUMRYADL-UHFFFAOYSA-N 432.498 2.291 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O 15633733 JPTXPBYNZZPDBH-UHFFFAOYSA-N 426.904 2.185 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O 19699927 NQSTWVMKNGPMML-IBGZPJMESA-N 430.524 2.156 0 40 IEAB CN(C(=O)Cn1cccc(C(=O)N[C@@H](c2nccn2C)C2CC2)c1=O)C1CCCCC1 19750042 MUYGXLGHJVKMAH-HXUWFJFHSA-N 425.533 2.254 0 40 IEAB COc1ccc(CN(C)Cn2nc(CCC(N)=O)n(C[C@H]3CCCO3)c2=S)cc1F 24446050 SFFXCHHQQYVDFW-OAHLLOKOSA-N 437.541 2.248 0 40 IEAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(Cl)c1 30756138 IJTQKCFWKMORTP-UHFFFAOYSA-N 437.905 2.436 0 40 IEAB COCCNS(=O)(=O)c1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1 32868731 BKNSEICDOGJFRF-UHFFFAOYSA-N 441.889 2.393 0 40 IEAB Cc1cccc2c(=O)[nH]c(CN3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc12 35269224 XNPHWHOKFCUQMN-UHFFFAOYSA-N 430.505 2.267 0 40 IEAB Cc1nccn1-c1ccc(CNC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 44904386 GZWRFACFHCJPQJ-UHFFFAOYSA-N 445.520 2.249 0 40 IEAB CN1CCN([C@H](CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c2cccs2)CC1 48302939 PGANBLVUIICQOW-RBUKOAKNSA-N 433.622 2.081 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](OC[C@@H]1CCCO1)C(C)C 58061172 XHVJTDZFYSOSMH-FXAWDEMLSA-N 440.562 2.175 0 40 IEAB CN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1ccc(C(N)=O)cc1 58079558 FVPCOYKDACLXQS-UHFFFAOYSA-N 447.421 2.121 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 58158520 BWWPMFNASTZMDB-QGZVFWFLSA-N 445.495 2.356 0 40 IEAB CCOc1cc(C(=O)NNc2nccc(OC)n2)ccc1OCC(=O)N1CCCCC1 69950477 FRANGSHAHDYZIP-UHFFFAOYSA-N 429.477 2.032 0 40 IEAB Cn1nc(Br)c2c(NCCN3CCN(c4ccc(F)cc4)CC3)ncnc21 69951143 JKSRRXSJTONOAP-UHFFFAOYSA-N 434.317 2.499 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCSCC(C)(C)O)CC2)cc1 78823846 WVVZYJCNKCMZKN-UHFFFAOYSA-N 444.619 2.106 0 40 IEAB O=C(CN1C(=O)S/C(=C/C(Cl)=C/c2ccccc2)C1=O)N[C@@H]1C=CS(=O)(=O)C1 104341232 QJCCVJVIDGPUKV-DDZXQPJUSA-N 438.914 2.273 0 40 IEAB COC(=O)Cn1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c2ccccc21 107829344 PLNNHTFGFNGVCM-SXGWCWSVSA-N 437.408 2.287 0 40 IEAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1C(=O)N1CCCC1 223903864 FPIDHMVRQRUVCV-UHFFFAOYSA-N 442.497 2.460 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)Oc2ccccc21 260380290 QTZKRMNOTZHJMZ-JLTOFOAXSA-N 434.514 2.498 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1C 408559830 MZBKGLCDEHBSHG-OAHLLOKOSA-N 436.530 2.047 0 40 IEAB O=C1C[C@H](Cn2cc(C(=O)N3CCN(c4ccccc4)CC3)nn2)CN1Cc1ccccc1 2087079665 RSLTWOUHTZHUQN-NRFANRHFSA-N 444.539 2.289 0 40 IEAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)COc3ccccc3)C2)n(-c2cccnc2)n1 2332241448 MWCWHWZKBQXKEG-PWIZWCRZSA-N 437.500 2.001 0 40 IEAB CCOC(=O)c1c(NC(=O)CSc2n[nH]c(N)n2)sc(C(=O)N(CC)CC)c1C 3283464 HGVCYLQZWSATIF-UHFFFAOYSA-N 440.551 2.146 0 40 IEAB O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCc1ccc2c(c1)OCO2 3477433 BOPCYFPNANNFFP-UHFFFAOYSA-N 430.404 2.419 0 40 IEAB COC(=O)c1ccc(NC(=O)CN2CCC(n3nnc(-c4cccs4)n3)CC2)cc1 8694518 JKHZNOQJPOBGRB-UHFFFAOYSA-N 426.502 2.464 0 40 IEAB CCn1c(CN(C)CC(=O)N2CCCC2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 8725548 JXTQRGLANNUMMD-UHFFFAOYSA-N 447.605 2.285 0 40 IEAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 8750558 GMLHSTHPKUMRMC-OAQYLSRUSA-N 441.465 2.242 0 40 IEAB CN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1ccccc1N1CCOCC1 8780392 HXPRYGCQMZFSHB-UHFFFAOYSA-N 442.585 2.001 0 40 IEAB CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 8790398 YFTLVPAMEUTPTF-HDUOGUTASA-N 433.574 2.063 0 40 IEAB biogenic O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)NC(=O)NCc1ccco1 9461355 WFILFNPETUAUCE-UHFFFAOYSA-N 449.872 2.447 0 40 IEAB CCc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 9806778 CSAKKCCTOAVNLD-GOSISDBHSA-N 445.541 2.166 0 40 IEAB O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCCC1 9814094 XMXUYYCCDGMOOC-UHFFFAOYSA-N 429.542 2.075 0 40 IEAB Cc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3c(=O)n2CCO)c(C)c1 9884557 LVTPJMCGUMVGNH-UHFFFAOYSA-N 426.498 2.446 0 40 IEAB COc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4cccc(C)c4)cnc32)c(OC)c1 12072249 YNEQSGOBYZEOOJ-UHFFFAOYSA-N 447.495 2.397 0 40 IEAB O=S(=O)(CCc1ccncc1)N1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 12089132 CMAXKYMCKXTWAQ-UHFFFAOYSA-N 434.949 2.484 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 12321350 JVXXDEQCJILLKH-LPHOPBHVSA-N 435.480 2.430 0 40 IEAB C[C@H]1CCc2c(sc3ncnc(S[C@@H](C)C(=O)c4c(N)n(C)c(=O)n(C)c4=O)c23)C1 13108542 FUSMZHSAXNALSB-UWVGGRQHSA-N 445.570 2.159 0 40 IEAB COc1ccccc1NC(=O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 13625420 AQBIFFSPGYJXRF-KRWDZBQOSA-N 445.541 2.241 0 40 IEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)c1 14249708 SLSIHKWNSIONRO-HXUWFJFHSA-N 428.489 2.308 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 14411026 YUWJERGWAPEDEL-UHFFFAOYSA-N 439.921 2.121 0 40 IEAB O=C(CS(=O)(=O)Cc1ccccc1)N1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 19372722 GSKZHVLBBMKRND-IBGZPJMESA-N 438.509 2.110 0 40 IEAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 20022246 ZKXGSCCZQLCGJW-QGZVFWFLSA-N 448.541 2.281 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc(C)cc4C)c(=O)c3s2)CC1 21886391 ZYIXZVRXRFGCKP-UHFFFAOYSA-N 426.546 2.250 0 40 IEAB O=C(CSc1nnnn1Cc1cccs1)Nc1ccc(CN2CCOCC2)cc1 23882012 ZUWJXHJTVGWGGC-UHFFFAOYSA-N 430.559 2.346 0 40 IEAB COc1ccc(CN2CCN(C(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)CC2)cc1F 24332211 XALYGFNAOQEIGE-UHFFFAOYSA-N 447.532 2.114 0 40 IEAB Nn1c(COc2ccc(F)cc2)nnc1SCCC(=O)NC(=O)NCc1ccccc1 24831218 IOTWZDASXNAXRE-UHFFFAOYSA-N 444.492 2.218 0 40 IEAB Cn1cnnc1-c1cccc(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1 31808345 ZJRQYEIDIPKHDO-SFHVURJKSA-N 441.513 2.192 0 40 IEAB CCN1CCN(C(=O)[C@@H](C)OC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 32858516 VUWLXIVOMRVMKO-WBMJQRKESA-N 425.938 2.239 0 40 IEAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)nc1C 32950539 PHLRMOYVRFJHAD-KRWDZBQOSA-N 435.484 2.493 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(SCC(=O)Nc3ccc4c(c3)CCC4)nc2)CC1 36386270 KZJKTSHVWLXZPO-UHFFFAOYSA-N 446.598 2.237 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)ccc1OC 36589773 YCGASKNDNDLWJH-APWZRJJASA-N 448.545 2.379 0 40 IEAB biogenic O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058356 HRHMSDBNJRDUJU-OALUTQOASA-N 434.489 2.181 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)Nc4nccs4)n3)C2)c1 72357445 KKKFWHAUAPATAC-ZDUSSCGKSA-N 432.531 2.092 0 40 IEAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(Br)cc1F 102396627 HRYWUDJEOGGZFB-TXEJJXNPSA-N 441.253 2.245 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222411855 ZHFYWAKOOGPDHK-GOSISDBHSA-N 431.558 2.233 0 40 IEAB COc1ccc(CO[C@H]2[C@H]3O[C@@H]4O[C@@H]([C@@H]3O)[C@@H](OCc3ccc(OC)cc3)[C@@H]2O4)cc1 239562983 OOEMZLZGBFOQOC-YZPUGCROSA-N 430.453 2.015 0 40 IEAB Cc1cc(C)cc(CN2CC[C@]3(CCn4c3nn(Cc3csc(C)n3)c(=O)c4=O)C2)c1 306123151 AFRSHESPNLVJRM-QHCPKHFHSA-N 437.569 2.382 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408670906 XQORLHQAJKEZCE-PRNVEUERSA-N 436.386 2.383 0 40 IEAB O=C(COc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1)N1CCOCC1 585270458 KOCAAVLNODWLTI-VWLOTQADSA-N 440.540 2.330 0 40 IEAB COCCCNC(=O)C[C@@H]1c2c(c(Br)c3c(c2OC)OCO3)CCN1C 1547138369 JWYSTXIQUKPCRY-GFCCVEGCSA-N 429.311 2.258 0 40 IEAB biogenic O=C(NCc1cn(C2CC2)c(=O)nc1O)[C@H](c1cccc(Br)c1)N1CCCC1 1643637913 NLSGNBRTWGBRHS-KRWDZBQOSA-N 447.333 2.500 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)N3CC(n4nc(-c5ccncc5)ccc4=O)C3)CC2=O)cc1C 1775977733 LGRVTXYDMOYXEU-LJQANCHMSA-N 443.507 2.359 0 40 IEAB CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C 3960063 JUJIMRZGUBTJRV-NASSWSRMSA-N 442.604 2.310 0 40 IEAB in-vivo O=C(Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)NC3CCCCC3)C1)C2)c1cncnc1 5441379 QLHIUPONCOHECD-JKSUJKDBSA-N 436.516 2.352 0 40 IEAB biogenic,in-vitro CCS(=O)(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4cccc(Cl)c4)c3n2)C1 6173130 XUUQHGPFVASQMB-ZDUSSCGKSA-N 436.925 2.158 0 40 IEAB O=C1NC2(CCN(CC(=O)N3CCc4ccccc43)CC2)C(=O)N1Cc1ccc(F)cc1 8769294 SBJZXWMYOQFRSZ-UHFFFAOYSA-N 436.487 2.301 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCCCCC3)c2)C[C@H](C)O1 9137430 RFBSFUPKBGUYCL-IRXDYDNUSA-N 438.546 2.044 0 40 IEAB Cc1ccc(Cn2ccs/c2=N\C(=O)CSc2nnc(-c3cccnc3)n2N)cc1 9584398 TYZRHMDVKFTFFS-NMWGTECJSA-N 437.554 2.493 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)C1=O 9609969 LGERJDSYFPCFHY-QHCPKHFHSA-N 436.468 2.421 0 40 IEAB COC(=O)c1ccc(Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3ncccc32)cc1 9660644 QFOOYKKFTNEOSS-UHFFFAOYSA-N 445.431 2.170 0 40 IEAB Cc1ccc(OCCCN2C[C@H](C(=O)N(C)C)[C@]3(COc4ccccc4C(=O)N3)C2)cc1 12124394 UORPZFVNZGSGRK-PXDATVDWSA-N 437.540 2.345 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@@H](C)n4ncc5ccccc5c4=O)C3)cc2n1 12134460 OUNKILZNRRARJL-NVXWUHKLSA-N 432.484 2.420 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccn3)cc2)cc1 12324380 BQWBPQKOBAMSPG-UHFFFAOYSA-N 438.509 2.449 0 40 IEAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(CS(N)(=O)=O)cc1 12560681 JWNHWFFLAXXJBZ-UHFFFAOYSA-N 449.348 2.437 0 40 IEAB C[C@@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1cccc(S(N)(=O)=O)c1 12788491 VTUQPRYORMEDEO-OAHLLOKOSA-N 425.510 2.023 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C 13112916 FPFCGCVIZCBDLP-VGWMRTNUSA-N 444.484 2.262 0 40 IEAB CCOC(=O)NC(=O)COC(=O)CCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 13148592 SVNKXOIDGQREKC-UHFFFAOYSA-N 437.452 2.443 0 40 IEAB COc1cccc(-c2nc(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cs2)c1 13725500 DNZXDWWJDJNFFM-UHFFFAOYSA-N 431.539 2.368 0 40 IEAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NC[C@H]2CCCO2)c1 14009977 BBFJAHQICJVCGR-JKSUJKDBSA-N 425.514 2.223 0 40 IEAB O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)NCCc1ccc2c(c1)OCCO2 14078929 LNYGTQGQWJGTSL-UHFFFAOYSA-N 439.512 2.173 0 40 IEAB CCOc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1S(=O)(=O)N(C)C 15094956 HMRZBWNLYXQNPR-UHFFFAOYSA-N 444.513 2.143 0 40 IEAB COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc(C(=O)OC)c1 16129784 RPJWDTLNKXGFBJ-UHFFFAOYSA-N 436.442 2.028 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)CC1 16740349 LKQLVJCIRDQJOZ-UHFFFAOYSA-N 439.335 2.033 0 40 IEAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 17712170 INCQRERAJIXSSL-KSFYIVLOSA-N 436.464 2.374 0 40 IEAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1 18838709 OZESTDXQPZKEKT-INIZCTEOSA-N 446.525 2.278 0 40 IEAB CC[C@@H](C)N1CCN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)CC1 19499914 PUJXXFUBRSZFKN-VGOFRKELSA-N 436.560 2.315 0 40 IEAB COc1ccccc1CC(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@@]2(COCCC(=O)N2)C1 19569721 POOWZKWPESWBHL-SBUREZEXSA-N 430.451 2.417 0 40 IEAB Cc1nc([C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)nc2c1CCCN2C 19707016 PZDZSAFCTFAQAU-CQSZACIVSA-N 443.529 2.170 0 40 IEAB Cc1nc([C@H]2CCCN2C(=O)Cn2c(=O)n(C)c3ccccc32)ncc1C(=O)N1CCCC1 19755932 MSVBQCJWKSZQKP-HXUWFJFHSA-N 448.527 2.038 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCN(C)CC3)c2C)cc1 22934603 RETMBQGTPNRYFW-UHFFFAOYSA-N 444.601 2.472 0 40 IEAB CN1CCN(CCCNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 22935024 ATGQMFRZAFITPX-UHFFFAOYSA-N 444.601 2.020 0 40 IEAB O=C(C1CC1)N1CCN(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 23844496 TUDWWUXABQAZJW-RUZDIDTESA-N 432.524 2.188 0 40 IEAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@H]3CCC[C@@H](OCC(F)(F)F)C3)cnc21 32402089 ADZQNDGISABKTJ-QWHCGFSZSA-N 428.411 2.115 0 40 IEAB CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)CC1 35378103 JGZXYDFSIGZZPW-UHFFFAOYSA-N 425.894 2.054 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCCCN2CCc3ccccc32)Oc2ccc(Cl)cc21 44907358 RNNSFCARESIZJK-FQEVSTJZSA-N 449.960 2.436 0 40 IEAB Cc1ccc(N2CCN(C(=O)c3snc4c(=O)n(CC(C)C)c(=O)[nH]c34)CC2)cc1 49409904 UMXHDCLXFDQGJJ-UHFFFAOYSA-N 427.530 2.073 0 40 IEAB CC(C)OC[C@H](O)CN1CCN(Cc2nc(-c3ccc(-c4ccncn4)cc3)no2)CC1 57743728 FERJVRAJIAXJTC-HXUWFJFHSA-N 438.532 2.097 0 40 IEAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N[C@@H]1CCCCNC1=O 59123872 HGSRMYYLORTEJD-LJQANCHMSA-N 449.960 2.316 0 40 IEAB COC(=O)[C@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)c1ccccc1 60317843 XUOZIJFMDSBSKC-QGZVFWFLSA-N 440.315 2.394 0 40 IEAB C[C@H](C(=O)N1CCc2ccccc2C1)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 72326648 SBXWPHANMDOXBL-CRICUBBOSA-N 433.508 2.491 0 40 IEAB COc1cccc2c1cc(C(=O)N1CCC(c3nnsc3S(C)(=O)=O)CC1)n2C 72392500 AWNQJHQIKGNSGH-UHFFFAOYSA-N 434.543 2.462 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2csc(-c3ccco3)n2)cc1 89496719 XRNAOGIAOOVFTM-LBPRGKRZSA-N 448.526 2.345 0 40 IEAB Cc1ccc(N2CCN(CC3CC3)C3(CCN(C(=O)C4CCOCC4)CC3)C2=O)cn1 96230396 OTGDXAMDYDGZEG-UHFFFAOYSA-N 426.561 2.236 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 101167445 QALZFLJOSNPDHL-RBUKOAKNSA-N 435.440 2.104 0 40 IEAB Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 139105390 MQAMCAMCWCOZFB-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccc(N2CCCCS2(=O)=O)c1 222554479 SRQXPZFTFSZTLU-UHFFFAOYSA-N 443.525 2.341 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222601187 WHTDALJEHRDRSF-QGZVFWFLSA-N 449.548 2.372 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1ccc2c(c1)OCCO2 222642621 JBZARHTWDZAJSK-UHFFFAOYSA-N 446.510 2.381 0 40 IEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCC[C@@H](C)C1 223222956 OVQGIAGMOYQGLH-YLJYHZDGSA-N 425.595 2.478 0 40 IEAB CN([C@@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1)S(C)(=O)=O 225057129 PVACKLPVFUEBMN-RUCTVCJSSA-N 427.570 2.477 0 40 IEAB S=C(NCc1ccc2c(c1)OCO2)Nc1nc(N2CCCC2)cc(N2CCOCC2)n1 226011714 LJCMXVKDNFIIBI-UHFFFAOYSA-N 442.545 2.129 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCCN3CCCC[C@H]3C)c2)C[C@@H](C)O1 245237199 GDKMONJKOQNNQL-GUDVDZBRSA-N 437.606 2.479 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 408702203 ABLPEWJVBCTPMX-CYBMUJFWSA-N 436.486 2.268 0 40 IEAB CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)CCc1nc2cc(Cl)ccc2n1C 2037883922 ISKJPHDKQUBFEL-NRFANRHFSA-N 428.924 2.049 0 40 IEAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O 2269674 QDWRUVDTRCBFHT-OAHLLOKOSA-N 430.800 2.162 0 40 IEAB COC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2[C@@H](c2ccc(OC)c(OC)c2)[C@H]1C(N)=O 4777841 OTESDCAELZGMGO-LPTQZCDUSA-N 429.469 2.300 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c(=O)n(C)c1=O 6159754 FCISRAPUIYKLPK-UHFFFAOYSA-N 431.533 2.118 0 40 IEAB COc1cc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)cc(OC)c1OC 9243728 RWAHCDGQKCGGHC-FQEVSTJZSA-N 425.441 2.346 0 40 IEAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 9308001 NJGDHZSYSJZOQZ-CMCWBKRRSA-N 433.439 2.460 0 40 IEAB O=C(NCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)o1)c1ccccc1 9518555 GNEAAMBBLSNLGR-UHFFFAOYSA-N 437.525 2.441 0 40 IEAB O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NCc2ccco2)o1 9673893 IZAWRMCLIRRFBK-UHFFFAOYSA-N 436.877 2.420 0 40 IEAB COc1cc(CNC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)cc(OC)c1OC 9888053 HBKIIQXMCTYFSA-ZHACJKMWSA-N 434.514 2.261 0 40 IEAB CC(C)(C)NC(=O)Cn1nc(-c2cccs2)c2sc(N3CCOCC3)nc2c1=O 11666277 OAXNIILIKLUFKR-UHFFFAOYSA-N 433.559 2.333 0 40 IEAB Cc1c([C@@H]2C[C@H](C(=O)Nc3c(Cl)cccc3Cl)N(C)S(=O)(=O)N2)cnn1C 12130856 IHSHKDBZMIFZKA-UONOGXRCSA-N 432.333 2.254 0 40 IEAB CCCOc1cc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nc(C)n1 12224807 SKACFEQKLNPJQT-UHFFFAOYSA-N 436.534 2.102 0 40 IEAB CN(C)[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)c1ccco1 12548808 WZZKSFJJAKWTIW-LJQANCHMSA-N 434.562 2.163 0 40 IEAB CCOC(=O)CSc1nnc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)s1 12786245 RBSSNBPAILVFKY-UHFFFAOYSA-N 427.504 2.400 0 40 IEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@H]3C4)cc2)n1 13465469 YRDYXRXWPWGRKW-JFTQMJAMSA-N 442.497 2.356 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1OC 13682133 ZXNXUYGCAGGWJM-UHFFFAOYSA-N 436.530 2.372 0 40 IEAB Cc1ccc(-c2csc3ncn(CC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)c(=O)c23)cc1 14249340 MMINCQAYTLJKJT-OAHLLOKOSA-N 431.539 2.079 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(C)c(C)c1 14374318 MALIHAFYCNNACA-UHFFFAOYSA-N 434.514 2.350 0 40 IEAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C3 19816518 IHJVKSYRLDSDPG-LBPRGKRZSA-N 428.470 2.319 0 40 IEAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)ncn3n2)cc1 21027965 JDDHOBCSUHSXOS-UHFFFAOYSA-N 447.451 2.002 0 40 IEAB COC(=O)C1(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CCCCC1 25169713 NPQZYIIDXNSODF-HZPDHXFCSA-N 438.546 2.090 0 40 IEAB O=C(CCN1CCN(Cc2cc(=O)n3ccccc3n2)CC1)Nc1ccccc1Cl 25942329 QFHZEAJENBPWDJ-UHFFFAOYSA-N 425.920 2.494 0 40 IEAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2cc(OC)ccc2OC)n1 27743806 OBRJDZWNQCFWJZ-UHFFFAOYSA-N 430.280 2.302 0 40 IEAB CN(Cc1ccccc1)C(=O)COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 39654883 UMPVFTMVAXCRBZ-HXUWFJFHSA-N 430.526 2.432 0 40 IEAB CCOc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(OC)c3)c2=O)cc1 44837145 NVOJWWDWEOYLHC-UHFFFAOYSA-N 434.456 2.082 0 40 IEAB COc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2nc(N3CCOCC3)sc2c1=O 45970394 HWYQHBWGABVOFU-UHFFFAOYSA-N 449.920 2.299 0 40 IEAB CS(=O)(=O)CCNC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 83984677 WYCSCRBBHVXSBI-UHFFFAOYSA-N 426.336 2.288 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@H]3CN4CCC3CC4)cc2)cc1C 95466329 PHVFIMLCLWCTFZ-NRFANRHFSA-N 449.598 2.477 0 40 IEAB CC(=O)N(C)C1CCN(c2cc(C(C)C)nc(N3CCC(N(C)C(C)=O)CC3)n2)CC1 97141286 QNMYXVKWOSJJGG-UHFFFAOYSA-N 430.597 2.494 0 40 IEAB COc1ccc(NC(C)=O)cc1N[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 102122416 XACUWODWHQHCMX-GOSISDBHSA-N 441.484 2.453 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2nc(-c3cccc(C)c3)no2)Oc2ccccc21 218795613 VMRLROKOJQUIEX-SFHVURJKSA-N 442.497 2.279 0 40 IEAB Cc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1N(C)S(C)(=O)=O 224583554 OKWZYRJFXZDHSD-UHFFFAOYSA-N 431.558 2.153 0 40 IEAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)n2)c1 225684539 DNWDLCRUZWKNHL-UHFFFAOYSA-N 446.510 2.479 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)Cc4cccs4)C[C@@H]2C3)cc1 306139992 UGEOBMHHXWEEHQ-GJZGRUSLSA-N 437.525 2.474 0 40 IEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)CCN(C)C(=O)[C@H]1Oc2ccccc2O[C@H]1C 511002955 WEJJITYCMQYIFT-QDGJQWLKSA-N 440.496 2.360 0 40 IEAB COCc1nc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)n[nH]1 524733316 HMVVMTDDJDGOBU-LJQANCHMSA-N 432.440 2.095 0 40 IEAB biogenic CCOc1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4ncc(Cl)cn4)C3)C2=O)cc1 575611187 BSVFSVFOQUFYBU-GOSISDBHSA-N 445.907 2.451 0 40 IEAB CC(C)[C@@H](CO)NC(=O)c1ccc2c(c1)Cc1cccc(c1)C(=O)NCCOCCO2 643575450 JSJYHKQQMWSPPR-OAQYLSRUSA-N 426.513 2.163 0 40 IEAB Cc1cc2n(n1)C1(CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC1)CC(=O)N2C 1772596229 ZCHYLCPIYJHYEG-UHFFFAOYSA-N 440.472 2.339 0 40 IEAB Cc1cccc(CN2CCO[C@H]3CN(S(=O)(=O)c4ccc5ncsc5c4)C[C@@H]32)n1 2056223381 IPCNFRONFKXRPA-OALUTQOASA-N 430.555 2.274 0 40 IEAB CC[C@]1(OC(=O)CN(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 1614087 KXLAXZBCXIEAGC-XMMPIXPASA-N 433.464 2.192 0 40 IEAB O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCCO 3622725 HVHHERXPLSARHI-UHFFFAOYSA-N 431.341 2.335 0 40 IEAB CC[C@@H](C)[C@@H](NC(=O)[C@H]1Nc2ccccc2NC1=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 9060693 RRRCZLRUTYKLJR-ZMYBRWDISA-N 443.592 2.376 0 40 IEAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3cccc(SC)c3)c2N)c1 9226941 KTXRPPAVZCCRAC-UHFFFAOYSA-N 442.501 2.490 0 40 IEAB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 9440165 ZODXIOKXWNAYCA-UHFFFAOYSA-N 446.481 2.053 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCC1 9448359 HCCFURGRJBLPMC-VVBPWWLESA-N 443.544 2.400 0 40 IEAB COc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21 9660717 YNGSWYCILGNZMI-UHFFFAOYSA-N 434.427 2.393 0 40 IEAB COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c(C)nc2c1 10666935 OTOAWHZQEGWBRB-UHFFFAOYSA-N 444.513 2.303 0 40 IEAB Cc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12758341 LOPSCTYQVZLCSD-UHFFFAOYSA-N 430.526 2.483 0 40 IEAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)Cc2cccs2)cc1 13121049 UYFSXGGCHHRHKP-CQSZACIVSA-N 429.498 2.137 0 40 IEAB CCN(CC)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 13287477 QXURCPGHEWEPPV-OKILXGFUSA-N 446.953 2.163 0 40 IEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cnc4n(c3=O)CCS4)cc2)C1 15823318 UCEZLUTWLSTISY-OKILXGFUSA-N 448.570 2.268 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 18204398 OQMIKXJGAOYGRU-OAHLLOKOSA-N 434.514 2.216 0 40 IEAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)c2cnccn2)CCO1 19591890 GECUKFFWFYZJKG-XMMPIXPASA-N 434.471 2.483 0 40 IEAB O=C(NCc1ccccc1)c1ccc(=O)n(CC(=O)N2CCC[C@H](CN3CCCC3)C2)c1 19751314 YKAUIPOPFJACQO-OAQYLSRUSA-N 436.556 2.113 0 40 IEAB CN(C)c1cc2c(cc1NC(=O)c1ccccc1Br)n(C)c(=O)c(=O)n2C 20428070 RKEGVTRKGQMRHX-UHFFFAOYSA-N 431.290 2.318 0 40 IEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)Nc2nc3ccccc3[nH]2)CC1 22402977 VHVZRZBZTHCMOU-UHFFFAOYSA-N 442.497 2.389 0 40 IEAB COc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22795179 PONZVSDMOFFJBA-NRFANRHFSA-N 444.963 2.070 0 40 IEAB C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(Cc2cn3ccccc3n2)CC1 22926338 XBLKAICHHGLRMT-JOCHJYFZSA-N 446.599 2.185 0 40 IEAB O=C(Cn1nc2c(c1NC(=O)CSc1ccncc1)CSC2)NC[C@@H]1CCCO1 23139181 YXTPLWARRQXHJD-ZDUSSCGKSA-N 433.559 2.051 0 40 IEAB CC(=O)c1ccc(OC[C@@H](O)CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 32721082 RTEGEPYKKLPSOV-NRFANRHFSA-N 429.492 2.024 0 40 IEAB C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 32726761 PTDVZIPSBKKOHB-INIZCTEOSA-N 446.500 2.137 0 40 IEAB CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2NS(C)(=O)=O)c1 32926466 ZMLMRARITKLTAB-CQSZACIVSA-N 439.559 2.236 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)CSc2cc(-c3ccccc3)nc3ncnn23)cc1 36646250 KAGGXBSBYMDZBY-UHFFFAOYSA-N 440.510 2.170 0 40 IEAB Cn1cc(C(N)=O)c(CC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 72352134 LQPXETOTVVBMSM-UHFFFAOYSA-N 430.452 2.181 0 40 IEAB Cc1cnc2c(C(=O)N3CCC(c4ccc(C(=O)NC[C@@H]5CCCO5)cn4)CC3)cnn2c1 72374414 YGDLXOCCFKOXTD-IBGZPJMESA-N 448.527 2.361 0 40 IEAB CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 95461550 KMOZFSBATHXCMK-BEFAXECRSA-N 434.558 2.493 0 40 IEAB COc1ccc(CO[C@@H]2C3OC4O[C@@H]2C(O)[C@@H](O4)[C@H]3OCc2ccc(OC)cc2)cc1 100716507 OOEMZLZGBFOQOC-AZDKVGLSSA-N 430.453 2.015 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223672456 WCZICSITHAAGRC-IBGZPJMESA-N 445.585 2.477 0 40 IEAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224106236 WONICKJUEQUWBR-FQEVSTJZSA-N 431.558 2.396 0 40 IEAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCCCN2CCOCC2)c1 224177894 JQGNIEXYZCLRRP-UHFFFAOYSA-N 435.521 2.103 0 40 IEAB CS(=O)(=O)NC[C@@H]1CC[C@@]2(COCCN(Cc3ccc(C(F)(F)F)c(F)c3)C2)O1 306130537 JJABQMWCBJBCFC-WMLDXEAASA-N 440.459 2.144 0 40 IEAB O=C(N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)N1CCN(c2ncccc2F)CC1 508928240 RJOUEKQLMZMEIS-QGZVFWFLSA-N 439.470 2.465 0 40 IEAB CCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1391677 OLJJQZDMDGGHQE-LLVKDONJSA-N 429.709 2.089 0 40 IEAB CCNC(=O)NC(=O)COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 2662822 KHBGTTOYZDJXGK-VAWYXSNFSA-N 431.470 2.102 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)Nc2ncn(Cc3ccc(Cl)c(Cl)c3)n2)CC1 2804702 DUYKGVWPXVJXFE-UHFFFAOYSA-N 432.333 2.243 0 40 IEAB O=C(Nc1cccc(C(F)(F)F)c1)O[C@@H]1CO[C@@H]2[C@@H](NC(=O)c3cncnc3)CO[C@H]12 3838585 BGLHERWKLLROQS-ZJIFWQFVSA-N 438.362 2.009 0 40 IEAB biogenic,in-vitro NC(=O)Cc1ccc(C(=O)CSc2nnc(N3CCOCC3)n2-c2ccccc2)s1 8706903 ARIZGWUQOKZXOW-UHFFFAOYSA-N 443.554 2.168 0 40 IEAB C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8753658 AJEQBUIMQVKFTR-SNVBAGLBSA-N 438.922 2.082 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1OC 8768908 GIDQWIYHMNAVMF-UHFFFAOYSA-N 443.525 2.261 0 40 IEAB CCNC(=O)NC(=O)COC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 8776043 AOSFPKZLAKAGPU-UHFFFAOYSA-N 434.470 2.074 0 40 IEAB COc1cccc(-n2c(-c3ccc4c(c3)OCO4)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 9110208 MFABAJFFWUAYBO-UHFFFAOYSA-N 445.435 2.080 0 40 IEAB O=C(Cn1cnc2c(nnn2-c2ccc(OC(F)(F)F)cc2)c1=O)N1CCCCCC1 9517803 RURDRNOUYQNYTQ-UHFFFAOYSA-N 436.394 2.278 0 40 IEAB CC(C)C[C@H](C(=O)OCC(=O)Nc1ccc2c(c1)OCO2)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 9691306 IDUHILHDQLCMOQ-YESZJQIVSA-N 442.468 2.263 0 40 IEAB Cc1ccc(C)c(Cn2c(N3CCN(CCC(C)C)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 9714281 OQGGWFBVGWKPFD-UHFFFAOYSA-N 438.576 2.257 0 40 IEAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(N2CCCC2)cc1 11858319 NPWWPWBIYMJHSA-UHFFFAOYSA-N 449.554 2.463 0 40 IEAB COc1ccc(CN2CCC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1CO 12219500 JOFCFNHAOHBNRS-LJQANCHMSA-N 437.544 2.448 0 40 IEAB C[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 12472725 UVDGCSPKMFLGMI-CQSZACIVSA-N 437.525 2.172 0 40 IEAB CCCN(CC1CC1)C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1C[C@H](C)O 12699886 XZFIULJVIMWRAF-AWEZNQCLSA-N 447.557 2.305 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)c1 12763657 RYRBEIAROZNJHY-UHFFFAOYSA-N 430.526 2.339 0 40 IEAB COC(=O)c1cnc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)s1 12947588 KOQKLCONLDPCAM-UHFFFAOYSA-N 439.515 2.412 0 40 IEAB COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12984954 JUWWTDJYNWDJBR-UHFFFAOYSA-N 432.498 2.003 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 14188681 MYMFKYRLGUGESM-OAHLLOKOSA-N 433.505 2.370 0 40 IEAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 16400358 JMCAWSJJLJRQOM-FUMNGEBKSA-N 442.493 2.255 0 40 IEAB COc1ccc(C(=O)NCCC(=O)OC(C)C)cc1S(=O)(=O)N1CCCC[C@H]1C 16964072 POADYAWDPMEKGG-OAHLLOKOSA-N 426.535 2.330 0 40 IEAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 18074962 MMWKXPUSTSJRFS-UHFFFAOYSA-N 438.933 2.478 0 40 IEAB NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CCN(C(=O)CCc4ccccc4)CC3)no2)C1 19370681 UHDOIAJZXNTBPB-LJQANCHMSA-N 438.528 2.351 0 40 IEAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccc(OC)cc1)c1ccc2c(c1)OCCO2 20046836 WBWCWOCPBVCJPD-HNNXBMFYSA-N 434.514 2.500 0 40 IEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 20485342 KLAMHOLKYBXWAW-UHFFFAOYSA-N 444.531 2.200 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCCOc3ccccc3C)c2)CC1 20978204 ZFOGZDBMPCNLLT-UHFFFAOYSA-N 446.525 2.084 0 40 IEAB COc1ccc(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)cc1OC 22334271 LLQTXIIHHZGVKB-INIZCTEOSA-N 436.530 2.362 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 22382096 JXNUEXLIPPGJJJ-QGZVFWFLSA-N 434.514 2.052 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c1 22579320 HTEYKBLDAVHWEZ-IBGZPJMESA-N 437.537 2.110 0 40 IEAB O=C(CN1C(=O)COc2ccccc21)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 28276183 VXGCSMPXTZVPPJ-UHFFFAOYSA-N 441.465 2.122 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)o1 35362406 MCAIGYVDDFDUJI-SDQBBNPISA-N 431.357 2.085 0 40 IEAB CN(CC(=O)Nc1ccc2c(c1)S(=O)(=O)C=C2)S(=O)(=O)c1ccc(Cl)s1 40146196 OVOMQGAPSKQEFR-UHFFFAOYSA-N 432.932 2.419 0 40 IEAB O=C(c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1)N1CCC[C@H](O)C1 58341020 TULGBMAVNBHINP-KRWDZBQOSA-N 432.498 2.246 0 40 IEAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)Nc1ccccc1C(F)(F)F 72348060 AFZASYCWLPNLTG-UHFFFAOYSA-N 428.374 2.272 0 40 IEAB CCn1c(C2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)nn(CCOC)c1=O 77147146 SPCHILQGHMPJQU-UHFFFAOYSA-N 438.532 2.225 0 40 IEAB CCOC(=O)C1=C(CN(CC)Cc2cnn(C)c2)NC(=O)N[C@H]1c1ccc(OC)cc1 78729354 NXVABTJGSLUSRZ-FQEVSTJZSA-N 427.505 2.122 0 40 IEAB COc1ccccc1N1C(=O)[C@H]2SC(N)=C3C(=O)Oc4c(OC)cccc4[C@H]3[C@H]2C1=O 79480494 PBGGRYKGHUOGTD-DAYGRLMNSA-N 438.461 2.182 0 40 IEAB Cc1ccn2c(CN3CCN(C(=O)c4ccc(S(C)(=O)=O)cc4)CC3)c(C)nc2c1 95352934 QMUGUDBYWDSYQH-UHFFFAOYSA-N 426.542 2.313 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 95450456 GWROMYHFNRIXSQ-LAUBAEHRSA-N 445.585 2.062 0 40 IEAB CC(C)CNC(=O)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1cccc(Cl)c1)S3(=O)=O)O2 96145983 OKICWBHTCXAQGO-AOIWGVFYSA-N 427.954 2.063 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1N1C(=O)CCC1=O 224288783 MQOAQBGNNXKBJC-UHFFFAOYSA-N 438.889 2.359 0 40 IEAB COc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224327125 VQULXCJNQWKVOE-KRWDZBQOSA-N 448.541 2.442 0 40 IEAB COCC(=O)N1CCc2c(nc3cc([C@@H]4CCCN4C[C@@H]4CC=CCC4)nn3c2O)C1 247811341 CUKHGQWODODVRM-UZLBHIALSA-N 425.533 2.459 0 40 IEAB CN1CCC[C@@H](C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)C1 257261341 LGXBOONGAKKKOO-KUVYTWDVSA-N 429.605 2.018 0 40 IEAB CC(=O)N[C@@]12CCNC[C@@H]1[C@@H](c1ccccc1)N(C(=O)c1cccc(OCCCN)c1)C2 257339176 ZAMQLGNYHFSNHU-VDKIKQQVSA-N 436.556 2.096 0 40 IEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)cc1 408650102 ANHPBTYKBBMFFG-HNNXBMFYSA-N 426.425 2.017 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 679874547 QTMZIRIWSVLSCT-INIZCTEOSA-N 444.479 2.471 0 40 IEAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Cc4csc5ccccc45)C[C@@H]23)n1 1549161172 FAWYZNMAZZPDDI-LJQANCHMSA-N 449.536 2.464 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)c1 3414588 DWAGPIYXKNBMNW-SFHVURJKSA-N 430.482 2.452 0 40 IEAB Cc1nc2sccn2c(=O)c1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 8931659 FYQBEQGLLTVSAP-UHFFFAOYSA-N 432.527 2.491 0 40 IEAB Cc1sc2nc(-c3cccc(NC(=O)CN4CCC[C@H](C(N)=O)C4)c3)[nH]c(=O)c2c1C 9255423 ASIOXGZVXOYKOI-HNNXBMFYSA-N 439.541 2.404 0 40 IEAB Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 9415796 KMPYEKVRJXMINE-SFHVURJKSA-N 434.539 2.203 0 40 IEAB CCc1c(C)nc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)[nH]c1=O 9660397 BDRORDKHSWXYQJ-CQSZACIVSA-N 438.463 2.266 0 40 IEAB O=S(=O)(NCCCCc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12615804 RAMREXWSBBAJGF-UHFFFAOYSA-N 438.571 2.009 0 40 IEAB COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 12630250 DTWMQDNEYKTALQ-UHFFFAOYSA-N 448.316 2.440 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1 12949963 VYURSVBBGLFIBO-UHFFFAOYSA-N 432.481 2.148 0 40 IEAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1)N1CCN(c2cccc(Cl)c2)CC1 15842504 RWKNTSHHAWFRCI-UHFFFAOYSA-N 433.917 2.369 0 40 IEAB CC(C)(C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)C1 19081245 LFHZFDAJDKKPSU-OAHLLOKOSA-N 425.533 2.482 0 40 IEAB Cc1ncsc1C(=O)N1CC[C@H](c2ccnc3c(CN4CCOCC4)c(C)nn23)C1 19707599 BWVPHJDJACLPQM-INIZCTEOSA-N 426.546 2.265 0 40 IEAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2 19710308 KFPSCGLVWANQAX-HNNXBMFYSA-N 431.562 2.083 0 40 IEAB COc1ccc(CCn2nnnc2[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1OC 22929993 RFGDYTPRADEFBE-QFIPXVFZSA-N 440.523 2.409 0 40 IEAB C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N(C)Cc1ccc(F)cc1F 22965073 SYGYEUQQDOFEKL-MRXNPFEDSA-N 437.512 2.318 0 40 IEAB COc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)n1 38652187 QGTMHPMJJVFJOK-UHFFFAOYSA-N 429.440 2.452 0 40 IEAB O=C1N[C@]2(COC3(CCN(C(=O)c4ccc(Cn5cccn5)o4)CC3)C2)Nc2ccccc21 72325292 GBXMWXDCPBJKIQ-XMMPIXPASA-N 447.495 2.471 0 40 IEAB CC(C)NC(=O)CN(C)c1cc(N(C)CC(=O)NC(C)C)nc(-c2ccc(F)cc2)n1 89885242 RRAFXRYBFQBCAP-UHFFFAOYSA-N 430.528 2.204 0 40 IEAB Cc1ccc(CN2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)s1 96056168 HFGDVICSVSCESR-CVDCTZTESA-N 441.601 2.424 0 40 IEAB CC(C)OC(=O)c1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc(C(=O)OC(C)C)c1 169299759 GZECYWSMZIKHJK-MLHJIOFPSA-N 431.441 2.410 0 40 IEAB CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1 222635827 KSCNTNDCHXFKRN-CHWSQXEVSA-N 430.939 2.368 0 40 IEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(CN4CCOCC4)cc3)ccc21 224588233 PKMGJESXCRKEHU-UHFFFAOYSA-N 443.569 2.296 0 40 IEAB C[C@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 225903440 UBGKVXHCZWLJFE-SFHVURJKSA-N 447.653 2.322 0 40 IEAB CCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 230290418 BYDMVSJSMATFEA-CMKODMSKSA-N 445.626 2.068 0 40 IEAB CN(C)S(=O)(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 257245656 IQMUGXNQXFVWFW-KRWDZBQOSA-N 448.467 2.230 0 40 IEAB COc1ccc([C@H]2CN(CC(=O)NCCc3nc4ccccc4[nH]3)CCN2C(C)=O)cc1 257284011 PAWXRWGMAGSVLH-JOCHJYFZSA-N 435.528 2.136 0 40 IEAB Cc1nc2c(n1C(C)C)CN(C(=O)c1ccn(C)n1)CC21CCN(C(=O)N(C)C)CC1 306132596 LNHZFBBNONPRJQ-UHFFFAOYSA-N 427.553 2.177 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)Cc5ccccc5Cl)C[C@@H]4C3)nn12 1888941714 OCGXSWBUNWFLAB-HOTGVXAUSA-N 446.964 2.238 0 40 IEAB COC(=O)CN1C(=S)N(Cc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(OC)cc1 872300 JMIOZQIBNKSPPD-GOSISDBHSA-N 441.509 2.195 0 40 IEAB COc1cc([C@H]2c3cc4c(cc3[C@@H](OCCN)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 5811491 AVQJGWBIRNZWFE-ROZPXGAXSA-N 443.452 2.089 0 40 IEAB CSc1nc2ccccc2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 6147784 QHDCLKXPMORJPD-UHFFFAOYSA-N 446.554 2.418 0 40 IEAB COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCCN(C)C)cc2c1 6198521 FZPAYRBKMCICTE-LJQANCHMSA-N 432.590 2.344 0 40 IEAB NC(=O)c1ccsc1NC(=O)CSc1ccc(S(=O)(=O)N2CCCCC2)cn1 8826493 MYTSUWMQXWHUCL-UHFFFAOYSA-N 440.572 2.147 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 9049685 FNCLGXJXVFKITB-HZPDHXFCSA-N 426.510 2.028 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N1c3ccccc3C[C@@H]1C)c(=O)n2Cc1ccccc1 9363974 LFCRHLLULYCACB-KRWDZBQOSA-N 443.507 2.406 0 40 IEAB Cc1nc2ccccc2n1CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 9378111 GREZEMOIRSDASU-GOSISDBHSA-N 442.541 2.232 0 40 IEAB O=c1c2ccccc2nnn1CSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 9789178 TWEVFEPYZKSSKR-UHFFFAOYSA-N 439.476 2.098 0 40 IEAB Cn1c(N2CCCCC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C 10003383 DRUIVVSASCBFMD-UHFFFAOYSA-N 432.322 2.235 0 40 IEAB Cc1ccc2nc(NC(=O)CSc3ccnc4c3c(=O)n(C)c(=O)n4C)sc2c1 10217069 CSAUUIYWOSIVMO-UHFFFAOYSA-N 427.511 2.281 0 40 IEAB COc1ccc(-c2cc(C(=O)N(C)C3CCN(C)CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11997026 CBWQGXRJSXKLBM-SFHVURJKSA-N 446.573 2.085 0 40 IEAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(CC)c2nc(-c3cccs3)nc(C(N)=O)c21 12242038 PEKIOBYVPQTAQG-ZDUSSCGKSA-N 442.545 2.231 0 40 IEAB O=C(NCc1cccnc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 12545479 DJRVCPICNVWZOW-UHFFFAOYSA-N 444.435 2.196 0 40 IEAB Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3cccc4ccccc34)cs2)n(C)c1=O 12604000 HELIPZIUHOAAPX-UHFFFAOYSA-N 446.492 2.349 0 40 IEAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 12621237 FGZQIXDKYCICRF-ZWKOTPCHSA-N 442.541 2.146 0 40 IEAB COc1cccc(CN(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1OC 13108866 HQXUTIZJZKYHGA-UHFFFAOYSA-N 448.541 2.305 0 40 IEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N1CCCc3ccccc31)C2=O 15613941 JBJYSBHBWOITBU-UHFFFAOYSA-N 427.501 2.400 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)cc1 15628028 VRJLNFNMPDGIRM-UHFFFAOYSA-N 426.498 2.413 0 40 IEAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)on1 19122071 IALJNIKWUDYOJL-WMZOPIPTSA-N 427.505 2.162 0 40 IEAB O=C(Cc1ccccc1F)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 19369388 MSQHUQKTAJCKLH-OAQYLSRUSA-N 436.487 2.388 0 40 IEAB CCN(CC)C(=O)Cn1nc2n(CC(=O)N3[C@@H](C)CCC[C@H]3C)c3ccccc3n2c1=O 19526239 XDCSHDOCZLLUQF-CALCHBBNSA-N 440.548 2.109 0 40 IEAB CC(C)CN(C(=O)CN(C)Cc1ccccc1F)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 21920057 AWFXRYLREHMFIF-UHFFFAOYSA-N 433.528 2.035 0 40 IEAB COc1ccc(F)cc1CN1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 22919423 ZLBZDWQCKXIERS-UHFFFAOYSA-N 440.519 2.483 0 40 IEAB CCCCn1c(N)c(N(C(=O)CN(Cc2ccco2)C2CC2)C2CCCC2)c(=O)[nH]c1=O 23055505 VWRPQDZXALHRJF-UHFFFAOYSA-N 443.548 2.452 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23990190 GZSGOPKWHVNQAG-UHFFFAOYSA-N 432.498 2.083 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)Nc3cc(S(C)(=O)=O)ccc3F)cc2C1=O 26904929 IXNXGCXODULMDF-UHFFFAOYSA-N 434.445 2.114 0 40 IEAB CN(C)[C@@H](CNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1ccccc1Cl 29051672 RHECOGQZLLLIIC-MOPGFXCFSA-N 431.899 2.318 0 40 IEAB C[C@H]1CN(C(C)(C)CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)C[C@H](C)O1 36047137 RBNAGCLKMWTDGH-HOTGVXAUSA-N 431.624 2.153 0 40 IEAB CCCCNC(=O)Cc1noc(CN2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)n1 48288902 LRNZGKXOOSCDBM-LJQANCHMSA-N 425.533 2.078 0 40 IEAB COc1cc(/C=C/C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)ccc1OCC(N)=O 78935065 ZSMZKFAGLPZMOK-KAMXEHQASA-N 447.532 2.430 0 40 IEAB COc1ccc(C(=O)NC[C@@](C)(O)c2ccc(C)o2)cc1S(=O)(=O)NC1CCCC1 78941836 PQTCWDJSFVBPFC-OAQYLSRUSA-N 436.530 2.455 0 40 IEAB CN(C)S(=O)(=O)c1ccc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)n2c1 95944741 UNHGAYLATCXDLA-QGZVFWFLSA-N 445.570 2.266 0 40 IEAB Cc1ccc(N2C[C@@H](O)Cn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 96306493 SFJYRFLVRWBOCM-LJQANCHMSA-N 431.496 2.074 0 40 IEAB CCNC(=O)Cn1c(=O)/c(=C/c2ccc(C(F)(F)F)cc2)s/c1=C/C(=O)C(C)(C)C 96794439 YUEVUYYKCPYXBZ-ODXRKRKHSA-N 440.487 2.289 0 40 IEAB O=C(NCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 100431347 FBEYRBZCIYJZCO-DTUNTVCMSA-N 449.551 2.065 0 40 IEAB CC(C)C[C@@H](C(=O)N(C)Cc1nnc2n1CCCCC2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102020234 MJVGLNMZETUZHM-KSZLIROESA-N 427.549 2.329 0 40 IEAB CCc1cc2c(COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc(=O)oc2cc1O 102129636 JUWIPFNZXFYUIN-HZPDHXFCSA-N 425.437 2.446 0 40 IEAB CC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1 219014220 VZDGWOQPUKLGQO-IBGZPJMESA-N 438.571 2.287 0 40 IEAB COc1ccc(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 223248365 KCEDBILOPUTUCE-UHFFFAOYSA-N 436.530 2.082 0 40 IEAB CCCSc1nnc(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)s1 225010550 DRDFGCDYKHGEJT-UHFFFAOYSA-N 446.576 2.462 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225421191 AXFCJLLTQIEBMA-QGZVFWFLSA-N 449.548 2.372 0 40 IEAB O=C(C[C@H]1CN(C(=O)CN2CCOCC2)CC[C@@H]1Oc1ccccc1)N1CCCCC1 257297839 RIYUKCMZMOVHEQ-UNMCSNQZSA-N 429.561 2.017 0 40 IEAB O=C1CN(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C(=O)N1CC(F)(F)F 585148551 ZQKXSVVLLNVOOL-UHFFFAOYSA-N 439.843 2.320 0 40 IEAB CN(c1ncccc1C(F)(F)F)[C@@H]1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1889205581 MNYZAYYKKXJKFC-OAHLLOKOSA-N 448.511 2.199 0 40 IEAB Cc1ncnc(C(=O)N2CC[C@@]3(CCc4nnc(C(=O)NC5CCCC5)n4CC3)C2)c1C 2055793258 HNMYHKOOCURPEP-HSZRJFAPSA-N 437.548 2.226 0 40 IEAB C[C@H]1CN(C[C@@H]2C[C@@H]3CCN(S(=O)(=O)c4cc(F)cc(F)c4)C[C@@H]3O2)C[C@@H](C)O1 2056225584 RYXOBUSZYBZBTC-WORIJJMOSA-N 430.517 2.242 0 40 IEAB Cc1ccc(NC(=O)COC(=O)c2sccc2C)cc1S(=O)(=O)N1CCOCC1 8690427 BSLVBQVSEMKXFI-UHFFFAOYSA-N 438.527 2.181 0 40 IEAB Cc1ccc(S(=O)(=O)NCCOC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 9126606 HCUNELPNDXFGLW-UHFFFAOYSA-N 433.454 2.127 0 40 IEAB C[C@H](Sc1nnnn1C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 9491239 DCQXJDCZFXMXPQ-NSHDSACASA-N 444.970 2.157 0 40 IEAB CCOc1ccc(NC(=O)Cn2c(=O)c3c(OCC)c(CC)cnc3n(C)c2=O)cc1 9571731 IKOFGOGTAFSXOR-UHFFFAOYSA-N 426.473 2.094 0 40 IEAB COc1cc(/C=C/C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc(OC)c1OC 9660342 XDRDDIURIARXIK-VOTSOKGWSA-N 425.445 2.250 0 40 IEAB O=c1[nH]c(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)nc2ccccc12 9730131 IXCMJLKGSZUSIE-UHFFFAOYSA-N 448.914 2.445 0 40 IEAB CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc5c(c4)OCO5)c3n2)cc1OC 9739560 YSWNROUXSOOPNB-UHFFFAOYSA-N 449.423 2.011 0 40 IEAB O=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029926 DKDMKXAVIXGBMB-KRWDZBQOSA-N 430.507 2.448 0 40 IEAB CCn1cc([C@H]2C[C@@H](C(=O)Nc3cc(Cl)ccc3OC)N(C)S(=O)(=O)N2)c(C)n1 12130436 QNYCQGKDFPGAQW-ZBFHGGJFSA-N 441.941 2.092 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1 12871617 SQKJAGMTYUBZPA-UHFFFAOYSA-N 426.542 2.355 0 40 IEAB CC(C)CN(C(=O)CN(C)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12914251 RDELMQSRFVHCQU-UHFFFAOYSA-N 427.549 2.031 0 40 IEAB CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 13010977 NLRYGGQOQFMHDN-UHFFFAOYSA-N 442.335 2.455 0 40 IEAB CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 13670163 RDJRSKSHGAXGFV-UHFFFAOYSA-N 434.514 2.045 0 40 IEAB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 13674129 OPEAUXPWWZVAJU-AWEZNQCLSA-N 448.497 2.428 0 40 IEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1cccc(Br)c1 14071443 VBMICBONGPZACV-UHFFFAOYSA-N 443.301 2.464 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)CCN4C(C)=O)C2=O)cc1 14139574 GFPCVWSFVSJDPF-QHCPKHFHSA-N 436.468 2.010 0 40 IEAB COc1ccc(CCN(C)c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)cc1OC 16311070 ZZACBQULWZWQGY-UHFFFAOYSA-N 427.544 2.190 0 40 IEAB CC(C)Oc1ccc(CN2CCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1 19450647 XDVHMNSFQAJDRI-FQEVSTJZSA-N 446.573 2.212 0 40 IEAB COc1nc(C)c(CC(=O)N2C[C@@H](c3ccccc3F)[C@@]3(CCCC(=O)N3)C2)c(OC)n1 19579456 UJMGGHJEAPKDII-GAJHUEQPSA-N 442.491 2.149 0 40 IEAB Cc1nc([C@@H]2CCCN2CC(=O)NCC2(N(C)C)CCCCC2)nc2c1CCC(=O)N2C 19741931 NLVYZKYVZHIMMG-IBGZPJMESA-N 442.608 2.212 0 40 IEAB CCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 19940481 BZCPHYSBEWREKR-UHFFFAOYSA-N 446.573 2.066 0 40 IEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2)cc1 20019622 GZNQUXXWIHHPEM-OAHLLOKOSA-N 436.530 2.476 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCCCN2CCCCCC2)Oc2ccc(Cl)cc21 30872243 DPDAXXYNZCTGHE-GOSISDBHSA-N 429.970 2.249 0 40 IEAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)c(F)c1 35392824 XSYACDCJCLCPKE-UHFFFAOYSA-N 444.532 2.438 0 40 IEAB COc1cc(CNC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cc(OC)c1OC 36392012 LMWIDYGZLZIYSD-VQIMIIECSA-N 448.516 2.311 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc(N3CCCC3=O)cc1)O2 44938439 MMKRJHOFNBKIKS-LJQANCHMSA-N 429.498 2.288 0 40 IEAB COc1cc(Br)c(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1OC 62580411 CHXSYOAYIIKFRS-ZDUSSCGKSA-N 441.303 2.072 0 40 IEAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338830 WHYSAYYDRMZAOK-VLIAUNLRSA-N 431.562 2.105 0 40 IEAB COc1ccc(CC(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)cc1 72394905 JQLGKLMGSFEZSU-XLIONFOSSA-N 425.529 2.094 0 40 IEAB O=C(Nc1ccc(Cn2cncn2)cc1)c1cc(Br)ccc1-n1cnnn1 79492868 WKMZTZLWKRGHCS-UHFFFAOYSA-N 425.250 2.317 0 40 IEAB CCN(Cc1ccccc1)C(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 96268063 AYWFBFYFNXFVDB-FQEVSTJZSA-N 449.559 2.362 0 40 IEAB CC[C@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)C1 100234546 YZOGPDJYYXDKDB-HOCLYGCPSA-N 425.533 2.482 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(C)cc2)C1 139089489 DEWMLKOWVLKBLL-QGZVFWFLSA-N 439.468 2.069 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1 224794090 OQESIPAYTFXXFZ-LJQANCHMSA-N 444.513 2.336 0 40 IEAB COc1cc(CN(C)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc(OC)c1OC 225842468 YMELHBKBZXNLMI-UHFFFAOYSA-N 434.514 2.307 0 40 IEAB COC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 408607663 NPBWUGVPFLTRRO-LLVKDONJSA-N 426.878 2.441 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)cc1 408650609 BWSKUBTUNCWVMX-AWEZNQCLSA-N 428.441 2.247 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 408658048 KRPMUGRQAATUAZ-BLMTYFJBSA-N 426.469 2.009 0 40 IEAB C[C@@H](Sc1nnc(CNC(=O)c2ccc3c(c2)OCO3)n1C)C(=O)Nc1nccs1 9426793 RMFQZGIJSZYFOC-SNVBAGLBSA-N 446.514 2.050 0 40 IEAB CCc1cc(=O)oc2c(C)c(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 9451528 LYANIIIJJYJANX-UHFFFAOYSA-N 430.482 2.006 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1 9667977 NVJHHKCEOKIILI-QGZVFWFLSA-N 431.514 2.000 0 40 IEAB O=C(COc1ccc(F)cc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851786 SFTWQDYQJJBFSB-UHFFFAOYSA-N 447.474 2.136 0 40 IEAB C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(-n2cncn2)cc1 10285970 FMSDGJZXTKUYIV-HNNXBMFYSA-N 428.518 2.078 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2N)cc1 10921704 VVGBKVFUHJNUEA-UHFFFAOYSA-N 441.513 2.499 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12088558 SYAJQMSNCWYZCA-NYQDPPIKSA-N 445.523 2.276 0 40 IEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@H](C(=O)OC)[C@@H]1c1ccc(C(=O)OC)cc1 12402741 DHTOEOYYVHNGHH-UXHICEINSA-N 429.469 2.065 0 40 IEAB CCCCN1C(=O)c2ccc(C(=O)NCc3ccccc3CS(=O)(=O)NC)cc2C1=O 12890551 ZLWVIAIEARADOA-UHFFFAOYSA-N 443.525 2.062 0 40 IEAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 13100810 CIUZPMGIWKEXSP-CSKARUKUSA-N 428.510 2.394 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)Nc4ccccc4C(N)=O)CC3)CC2=O)cc1 13857670 LJCSTBHWAVWCHM-GOSISDBHSA-N 448.523 2.324 0 40 IEAB CCCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OC 14291914 FUUNDVHOEFABQE-UHFFFAOYSA-N 436.530 2.373 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 15971401 KPTDGQFMQKTSMU-QGZVFWFLSA-N 430.592 2.002 0 40 IEAB Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)c1 19749367 ZTDMIMNTZCRDLW-UHFFFAOYSA-N 425.464 2.249 0 40 IEAB Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 19805822 NRRVCDAXGXEPGM-UHFFFAOYSA-N 428.920 2.161 0 40 IEAB Cc1ccccc1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O 20236617 BYWNSNOZEYVHLP-UHFFFAOYSA-N 428.514 2.198 0 40 IEAB Cc1cccc(C)c1OCC(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22227176 DZCJUDWTRLAYMT-UHFFFAOYSA-N 432.542 2.062 0 40 IEAB Cc1ccccc1N(CC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1)S(C)(=O)=O 25213557 YQZDLXCIWLSUAG-UHFFFAOYSA-N 447.532 2.321 0 40 IEAB O=C(c1cc(F)ccc1Br)N1CCN(S(=O)(=O)c2cccnc2)CC1 33090346 GUTAMIWVFWPQMK-UHFFFAOYSA-N 428.283 2.130 0 40 IEAB O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1 35310814 IKVIVBVJKWCWOB-UHFFFAOYSA-N 438.527 2.068 0 40 IEAB COc1ccc(CNC(=O)Cn2c(C)cc3nc4sc(C)nn4c(=O)c32)cc1OC 49411365 HZRMVVZIVYYDPO-UHFFFAOYSA-N 427.486 2.056 0 40 IEAB CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cc1 89274592 PMLJHYYWDMVRPI-UHFFFAOYSA-N 436.515 2.397 0 40 IEAB CNC(=O)[C@@]12CCC3(CCN(C(=O)Nc4cccc(OC)c4)CC3)[C@@H]1CN(C(C)=O)C2 96143765 GRSASVHYJSNRNT-WMZHIEFXSA-N 428.533 2.314 0 40 IEAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(C(=O)COc2ccc(F)cc2F)C3)c(OC)n1 100729200 MHULFASMCUISBV-KBPBESRZSA-N 449.454 2.297 0 40 IEAB COc1ccc(-c2noc(CNC(=O)c3ccc(C)c(N(C)S(C)(=O)=O)c3)n2)cc1 222465847 HPEUMOHHOXKACC-UHFFFAOYSA-N 430.486 2.379 0 40 IEAB CCc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 222895839 FKLDQRINUZXXHT-SFHVURJKSA-N 445.585 2.221 0 40 IEAB CCOC(=O)c1c(NS(=O)(=O)c2nnc(NC(C)=O)s2)sc2c1CCCC2 223227462 UADUYGYUXGFVCL-UHFFFAOYSA-N 430.533 2.414 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)cc1 224685745 AVWNHIXHGPAOTH-UHFFFAOYSA-N 444.513 2.333 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225192339 URJFQMCRXBHYRO-GOSISDBHSA-N 431.558 2.233 0 40 IEAB COc1cc(C=NNC(=O)C2CCN(C[C@H](O)COCc3ccccc3)CC2)ccc1O 254874403 XLXGJVDIRXBJDZ-NRFANRHFSA-N 441.528 2.141 0 40 IEAB Cn1nc([C@@H]2CN(C(=O)CN3CCCC3=O)CCO2)cc1CCOc1ccccc1Cl 257223037 DVQIZOGQZBSWKR-FQEVSTJZSA-N 446.935 2.217 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2CN(C(=O)c3cn4cc(C)ccc4n3)CCN2C)cc1C 257248122 JCFFYBLTTQNTTE-NRFANRHFSA-N 449.555 2.075 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)COc2ccccc2C)cc1OC 260767386 NJVPYMZFPNJMBA-MRXNPFEDSA-N 436.530 2.216 0 40 IEAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408665259 REMJWRZNYZSMQJ-WYZBVHOTSA-N 438.480 2.203 0 40 IEAB COC(=O)C1CCC(NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C2CC2)(C(=O)OC)CC1 1566422576 KWIGSOQFAACYGH-FHDQPZTMSA-N 426.510 2.166 0 40 IEAB COc1ccc(CCNC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)cc1OC 958859 KFKOETSDYRWFHM-UHFFFAOYSA-N 428.514 2.108 0 40 IEAB CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 1368443 YJBLWQQDMIJLAB-XLNRJJMWSA-N 441.553 2.395 0 40 IEAB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1 2643196 HKOOIXKQZRBICI-UHFFFAOYSA-N 445.541 2.105 0 40 IEAB COc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1F 3514381 SJVWTFMNDMFVMD-UHFFFAOYSA-N 427.425 2.351 0 40 IEAB CC(=O)N1CCC(C(=O)N[C@H]2CCN3C(=O)N(c4ccc(C(C)C)cc4)C(=O)[C@@H]3C2)CC1 3840336 NBFXHYIIOSKYSN-FPOVZHCZSA-N 440.544 2.484 0 40 IEAB biogenic,in-vitro CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 6631633 DLEAITXNZKTHMJ-ZDUSSCGKSA-N 435.525 2.299 0 40 IEAB Nc1nc(SCC(=O)N2CCc3ccccc32)[nH]c(=O)c1NC(=O)c1ccccc1F 9518083 JARQMBJTAHXTDG-UHFFFAOYSA-N 439.472 2.425 0 40 IEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C3CC3)n2C2CC2)C1=O 12675968 NAVXQLNWIANIKD-FQEVSTJZSA-N 426.502 2.081 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)Cn2c(=O)cnc3ccccc32)c1C 13165040 SAFHTFZOWJMLPI-CQSZACIVSA-N 425.441 2.333 0 40 IEAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 16400361 JMCAWSJJLJRQOM-FYQPLNBISA-N 442.493 2.255 0 40 IEAB O=C(c1ccccc1F)N1CCc2c(nc([C@H]3CCN(CC4=CCCOC4)C3)[nH]c2=O)C1 19347682 XYKWUNJHFCVJNO-KRWDZBQOSA-N 438.503 2.244 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccncc3)CC1)C2=O 19699412 GBMVBWCARVEYLN-UHFFFAOYSA-N 447.539 2.273 0 40 IEAB CNc1nc([C@H]2CCCCN2CC(=O)N2CCC(C)CC2)nc2c1CCN(C(C)=O)C2 19708465 PKQINTQFCFYJMG-HXUWFJFHSA-N 428.581 2.208 0 40 IEAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(=O)COc2ccc(F)cc2)cc(N(C)C)n1 19760367 UWIGMWCJFYMKEJ-LJQANCHMSA-N 429.496 2.403 0 40 IEAB CN1[C@@H](CCC(=O)NCc2ccc(F)cc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1cccs1 22922814 FXOZQFPDWBMSAO-DWLFOUALSA-N 444.576 2.357 0 40 IEAB biogenic,in-vitro CC(C)OC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2C(C)(C)[C@H]31 32598161 ZGAHQIAOQBOTOK-XMLKLZHTSA-N 436.555 2.007 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3cccc(OC)c3)C2)cc1 46644166 JEDYIWDKOMRXRG-KRWDZBQOSA-N 448.541 2.300 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)c1 56997623 SOBKQJUWKZTBEU-UHFFFAOYSA-N 439.965 2.458 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C[C@H](C)O1 58129860 PXXZKXPSOTWAMY-IRXDYDNUSA-N 436.574 2.084 0 40 IEAB CS(=O)(=O)CCCNC(=O)c1cccn1-c1cccc(I)c1 64036039 OKYHEFKRVGCYDK-UHFFFAOYSA-N 432.283 2.246 0 40 IEAB O=C(O)CCCC(=O)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2cccnc2)C1 72338449 RZCAWGPNRPDOES-SFHVURJKSA-N 439.516 2.336 0 40 IEAB Cn1nc([C@@H]2CCCN(S(=O)(=O)c3c(F)cccc3F)C2)n(-c2ccccc2)c1=O 77100626 PYMAXPFBHMCOCM-CQSZACIVSA-N 434.468 2.418 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2ccccc2OC)S(C)(=O)=O)cc1Cl 223685891 SKEWLRJHMWLYFH-UHFFFAOYSA-N 442.921 2.318 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccccc1CN1CCCC1)O2 224788728 KEGAMHGQJNDFTM-QFIPXVFZSA-N 443.569 2.434 0 40 IEAB CC(C)Oc1ccc(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 225263053 LXOFTZVFZLMTBJ-GOSISDBHSA-N 434.514 2.196 0 40 IEAB C[C@@H]1CN(C(=O)CN2CC[C@]3(CCC2=O)CC(=O)c2cc(Cl)ccc2O3)CC[C@@H]1O 253601780 FAQGORDIXZTEMB-AOSWFRPUSA-N 434.920 2.286 0 40 IEAB CC(C)(C)c1ccc(CN2CC[C@@H]3[C@@H](CCCCN3CC(N)=O)C2)c(OCC(N)=O)c1 257341826 ZMCSIPJEZANFOB-FXAWDEMLSA-N 430.593 2.010 0 40 IEAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 409293065 GXPBSEYLMMYUQA-CUYVQJCZSA-N 440.235 2.259 0 40 IEAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12 409334634 LPLHTKVNPSEHIT-HDIOYNLWSA-N 433.844 2.304 0 40 IEAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(n2nc(C(F)(F)F)n(C)c2=O)CC1 575614775 HEJZBHCKXLQIFB-UHFFFAOYSA-N 434.422 2.478 0 40 IEAB COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCO)CC(=O)N32)c1OC 2156867 NTPDEYXVKIHSHI-CVDCTZTESA-N 449.507 2.252 0 40 IEAB biogenic COc1ccc(CN2C(=O)/C(=C\NNc3nc(C)cc(=O)[nH]3)c3ccccc3C2=O)cc1 3223460 QGBYZVLPICFTAJ-UNOMPAQXSA-N 431.452 2.227 0 40 IEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCCc1ccc3c(c1)OCCO3)C2=O 3422536 DVLKZWKOFMMBGP-WNSKOXEYSA-N 429.517 2.253 0 40 IEAB COCCCn1c(C)cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc12 6444620 CTRALUGLNUSOPY-UHFFFAOYSA-N 433.871 2.335 0 40 IEAB CCOC(=O)C1=C(CSc2nc3sc4c(c3c(=O)n2C)CCC4)NC(=O)N[C@H]1C 9120501 UHXQAMFVUMQTIC-VIFPVBQESA-N 434.543 2.094 0 40 IEAB C[C@@H](Sc1nnc(CNC(=O)c2ccco2)n1C)C(=O)Nc1ccc2c(c1)OCO2 9328615 CCZGVDKGGNPTPF-LLVKDONJSA-N 429.458 2.186 0 40 IEAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)OCc3ccccc3)c2=O)cc1 9660612 QDILNFOBTSKPPF-UHFFFAOYSA-N 431.448 2.359 0 40 IEAB COc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)c(OC)c1 9745320 DCALTQQEQQUUJY-UHFFFAOYSA-N 432.546 2.042 0 40 IEAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)N[C@@H](C)c1ccccc1)CS(=O)(=O)C2 10250589 WCNYCWUCQPDBNQ-HNNXBMFYSA-N 438.509 2.425 0 40 IEAB COCCNC(=O)NC(=O)COC(=O)CSc1cc(C)c(Br)cc1C 11083114 OHJFBDHDOQVDSN-UHFFFAOYSA-N 433.324 2.173 0 40 IEAB CCCc1nc(SCC(=O)Nc2ccccc2OCC)c2c(=O)n(C)c(=O)n(C)c2n1 11758093 SAXNLIJXUPJNEB-UHFFFAOYSA-N 443.529 2.109 0 40 IEAB O=C1NC2(CCN(C(=O)CCCn3cnc4ccccc4c3=O)CC2)Oc2ccccc21 12185755 NKVMVPYUTHKHFE-UHFFFAOYSA-N 432.480 2.318 0 40 IEAB COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCn2ccc3ccccc32)c(F)c1 12431749 NWFZKAYGTHRESR-JOCHJYFZSA-N 438.503 2.296 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)n(CC)c3C)CC2)cc1 12807794 ZCCSLIFHQUYBBL-UHFFFAOYSA-N 447.557 2.448 0 40 IEAB COc1ccc(-c2nnn(CN3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1OC 12914056 FGFXAYZLSYEIKI-UHFFFAOYSA-N 442.907 2.426 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)CC1 13008128 WVRYKSSSKSCKPM-UHFFFAOYSA-N 440.525 2.456 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2)C[C@@H](C)O1 13040866 BUCMBUNPXXONCY-ZACQAIPSSA-N 449.573 2.214 0 40 IEAB O=C1CCCN1Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c1 13127257 MNOBEIFVTDRQHH-UHFFFAOYSA-N 433.555 2.017 0 40 IEAB Cc1oc2cc(OCC(=O)N3CCN(CCO)CC3)ccc2c(=O)c1Oc1ccccc1 13692481 PPKCGCYSKUAWPD-UHFFFAOYSA-N 438.480 2.409 0 40 IEAB Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3)CC2)c1C 15842502 FTOWMBWRZHYVDA-UHFFFAOYSA-N 427.526 2.332 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3)C2=O)cc1OC 16051162 PHLKRGXBGREWNY-JOCHJYFZSA-N 445.903 2.483 0 40 IEAB COc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1S(=O)(=O)N(C)C 16163199 YWTKAGYHWCMAEM-JXMROGBWSA-N 443.569 2.417 0 40 IEAB Cc1nonc1C(=O)N1CCC(Cc2ncncc2C(=O)NCc2ccccc2F)CC1 19756795 OJEFUTNGKGYHGG-UHFFFAOYSA-N 438.463 2.332 0 40 IEAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)Nc3ccc(NS(C)(=O)=O)cc3)c2C)n1 23130245 GLIUKEUMXRIIGA-UHFFFAOYSA-N 428.518 2.449 0 40 IEAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CCO)CC2)c(OC)c1 25638005 QKMYVXWTFGSSIA-UHFFFAOYSA-N 436.512 2.307 0 40 IEAB O=C(C[C@H]1CCS(=O)(=O)C1)OCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 32837677 HDIMKTAXVJKDHQ-CQSZACIVSA-N 430.457 2.393 0 40 IEAB Cc1cccc(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 36023383 LAWJAOKEUUJLHZ-UHFFFAOYSA-N 429.590 2.332 0 40 IEAB CC[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C12CC3CC(CC(C3)C1)C2 36063221 IEFIMDFKBGXOHF-MBMGVGJDSA-N 435.590 2.263 0 40 IEAB O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 57681513 VJKIAVIEOOGBJX-ZDUSSCGKSA-N 428.436 2.401 0 40 IEAB Cc1ccc(NC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(OCc2ccccc2)c1 58268988 YQIHKAJMGSUVHJ-SFHVURJKSA-N 445.541 2.389 0 40 IEAB CCn1nc([C@H](C)C(=O)N2[C@H]3CC[C@@H]2Cc2nc(C)[nH]c(=O)c2C3)c2ccccc2c1=O 72373140 RQGCFOASUHLCHF-CWRNSKLLSA-N 433.512 2.070 0 40 IEAB COC(=O)N1CCc2ccc(Br)cc2[C@H]1C(=O)NCCCN1CCCC1=O 77200078 PPDUOJLUSWPGHU-KRWDZBQOSA-N 438.322 2.243 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)C1 90591872 HSYLMNJVGMMVPD-ROUUACIJSA-N 427.505 2.458 0 40 IEAB COc1cc(CCC(=O)N2CCC(c3nc(O)c4c(n3)CN(C(C)C)CC4)CC2)on1 96319713 ZBANXOPRZOOHIM-UHFFFAOYSA-N 429.521 2.284 0 40 IEAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222819439 ISAIGQICAHRILS-OAHLLOKOSA-N 431.986 2.255 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223429876 RZAJDBCYTFMSFQ-FQEVSTJZSA-N 447.557 2.015 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1ccc(C)c(C)c1)c1ccc2c(c1)OCO2 224161090 IAUSFBCNYMHTMG-UHFFFAOYSA-N 434.514 2.383 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248261100 WDDYSDDYCOLBBE-LUCIHVKJSA-N 437.471 2.293 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCn2ccc(C)n2)CC1 257274864 NMYBJVGEVKENSH-CQOQZXRMSA-N 426.561 2.418 0 40 IEAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CCC[C@@H](C(=O)N4CCOCC4)C3)ncc12 1889149085 XDFJKBHZTNQZSL-QGZVFWFLSA-N 425.533 2.290 0 40 IEAB C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N[C@H](CC(=O)O)C(=O)O 1737596 COHGIZCCOYJYPA-YVEFUNNKSA-N 425.393 2.271 0 40 IEAB biogenic C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c2C1 2637856 RDMLTUUGNHEBTA-HUUCEWRRSA-N 430.526 2.162 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccc[nH]3)CC2)cc1 3455064 PCBXKLXTUUHFKB-UHFFFAOYSA-N 448.497 2.018 0 40 IEAB O=C(NCCc1ccc(F)cc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 8584766 AAKFESBLAVGACT-HXUWFJFHSA-N 444.484 2.409 0 40 IEAB COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 8601465 ZVUOCNUJLQCINL-KRWDZBQOSA-N 448.522 2.297 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4ccccn4)o3)cc2)C[C@H](C)O1 9428020 QTFMUTWTGGVABQ-KBPBESRZSA-N 443.485 2.182 0 40 IEAB COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)c(OC)c1 9857394 XIBSHLPAOBMOKC-UHFFFAOYSA-N 434.456 2.001 0 40 IEAB CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1Cl 10128966 FQDYCUDKFSLVJI-ZDUSSCGKSA-N 432.329 2.150 0 40 IEAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 11212237 QEOHPQXLMYHGLI-ACJLOTCBSA-N 435.546 2.297 0 40 IEAB COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C 12231862 GHXZJXZSGXUHJN-UHFFFAOYSA-N 442.907 2.047 0 40 IEAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 12441161 OMKYIJZPJLTEJX-UHFFFAOYSA-N 426.498 2.285 0 40 IEAB O=C(COc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12762402 HPTKEUVBMBFUQO-UHFFFAOYSA-N 436.480 2.365 0 40 IEAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 12894819 QJSBCYPVPVHSSY-FQEVSTJZSA-N 435.590 2.241 0 40 IEAB CN(C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12 12900808 PYBDPWNMLYEZCG-UHFFFAOYSA-N 435.528 2.147 0 40 IEAB biogenic Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14141429 NVGXPYSYSYPRPP-QGZVFWFLSA-N 449.529 2.485 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(Cl)cc1 18156256 XNADEMJDTBWSLX-OALUTQOASA-N 441.919 2.263 0 40 IEAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(Cc2cnc(OC)nc2)C3)c(OCC)n1 19531671 ROWCQWDNVHGFNW-AQKKSAQBSA-N 429.521 2.192 0 40 IEAB CNc1nc([C@H]2CCCN2C(=O)COc2ccc(F)cc2F)nc2c1CN(C(C)=O)CC2 19710807 ZSEWCWXGAXSPRI-GOSISDBHSA-N 445.470 2.444 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1 20061550 UHVGVPQQIPTGBK-UHFFFAOYSA-N 447.532 2.117 0 40 IEAB Cc1cc(C(=O)COC(=O)c2cn3c(C)cccc3n2)c(C)n1[C@H]1CCS(=O)(=O)C1 22616242 ZAULJLSZJCMSME-INIZCTEOSA-N 429.498 2.460 0 40 IEAB COC(=O)c1sccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 24962506 WBRKVSRJWVVFFB-UHFFFAOYSA-N 439.515 2.082 0 40 IEAB O=C(CSC1=NCCS1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 26805215 WDQPEYPJMGOETE-UHFFFAOYSA-N 426.010 2.070 0 40 IEAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])o1 33860836 IIUMAIQMJVZXIF-VHUCWBOISA-N 439.449 2.408 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(C)c2)C(=O)N3)cc1OC 35432554 FICZOHQTGHFZFJ-UHFFFAOYSA-N 443.525 2.112 0 40 IEAB CCCn1c(=O)c2sccc2n(CC(=O)NCCc2ccc(OC)c(OC)c2)c1=O 57478803 GDTJEBYYDOYQKR-UHFFFAOYSA-N 431.514 2.011 0 40 IEAB CCCc1c(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)[nH]c(C)c1C(=O)OC 70037934 LRCAJJOIKYZTLH-SFHVURJKSA-N 430.427 2.366 0 40 IEAB COCCN1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3C)c2)CC1=O 72351920 BXQFFHZDKQVXQX-GMAHTHKFSA-N 449.551 2.026 0 40 IEAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1cnn(C)c1 89694681 UCJOZGPBQDULST-SFHVURJKSA-N 437.548 2.261 0 40 IEAB CC(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 95475705 ZINJHPGGNINNOG-JSRAGOMMSA-N 434.602 2.480 0 40 IEAB COc1ccc(-c2noc(CNC(=O)[C@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)cc1 220491149 MPPUIJNBACYAKO-ZDUSSCGKSA-N 448.476 2.355 0 40 IEAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222411920 ZHFYWAKOOGPDHK-SFHVURJKSA-N 431.558 2.233 0 40 IEAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224066588 JDGGRUMCBYYRHZ-KRWDZBQOSA-N 449.548 2.188 0 40 IEAB COc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1 224322054 MVDXXCBNQGYGRO-UHFFFAOYSA-N 432.912 2.329 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(c3ncnc4c3CCCC4)CC2)cc1 225735593 YNZHAEYLMJDZKJ-UHFFFAOYSA-N 443.573 2.005 0 40 IEAB COC(=O)[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c2ccccc2O1 226037647 CPRGLTJHDDDOSA-IBGZPJMESA-N 446.525 2.200 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c1 238869824 MPXIIZLMMANVED-UHFFFAOYSA-N 447.344 2.029 0 40 IEAB CCCS(=O)(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3ccncc3)C2=O)C1 306134328 NJGXLSXJKULORJ-DENIHFKCSA-N 445.589 2.417 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCCCn2ccnc2)CC1 408594914 RDNVBIUQYOKCGT-UHFFFAOYSA-N 440.953 2.152 0 40 IEAB CCc1ccccc1N(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccccc1 408618392 KCZOYMKSQPNYLM-UHFFFAOYSA-N 445.585 2.283 0 40 IEAB NC(=O)C1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1 409007384 VZKACWNVYBOXEJ-UHFFFAOYSA-N 449.960 2.255 0 40 IEAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Br)cc3Cl)C(=O)[C@@H]12 409308999 ZYRZRZODHRHALK-UMPJEAMMSA-N 426.650 2.479 0 40 IEAB O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(CN2CCC(C(F)(F)F)CC2)[C@@H](O)C1 585283582 FEPCDNXJHPQFSM-HKUYNNGSSA-N 434.886 2.481 0 40 IEAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 608235814 AGMYRBUKEDJDKB-TYCQWZJGSA-N 437.544 2.030 0 40 IEAB CSc1nc(C2CCOCC2)cc(N2CCN(c3ncnc4c3cnn4C)CC2)n1 1888909613 OACZCHGSWZGEMU-UHFFFAOYSA-N 426.550 2.096 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@]2(CCCN(c3ncccn3)C2)C1 2056223887 GHGZDDKKCNLWHV-NRFANRHFSA-N 430.530 2.319 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 3517603 UPDMSOTZAGHWAA-VQHVLOKHSA-N 428.510 2.319 0 40 IEAB O=C(N[C@H](CO)C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1)OCc1ccccc1 5706759 BNRIKQJCFUGCTI-WOJBJXKFSA-N 426.469 2.008 0 40 IEAB CC(C)CNC(=O)NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1N 8748202 MROHJPJMXMQSDJ-UHFFFAOYSA-N 431.543 2.413 0 40 IEAB Cc1c(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)oc2ccccc12 8776027 KTHYURYDPUAKCY-UHFFFAOYSA-N 447.447 2.272 0 40 IEAB CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3cccs3)c2n1 8794049 ZCBAQBSFOMUFPF-UHFFFAOYSA-N 432.575 2.195 0 40 IEAB COc1ccc([C@@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)N2CCCCC2)cc1 9739549 FPUFVKBNKNPRTE-HXUWFJFHSA-N 447.557 2.308 0 40 IEAB O=C(CCN1C(=O)COc2ccccc21)OCc1cc(=O)n2c3c(sc2n1)CCCC3 9960540 SYODOKIFQGAOKT-UHFFFAOYSA-N 439.493 2.494 0 40 IEAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC2CC2)cc1 10586547 KVDRCGNOWMWPIY-CQSZACIVSA-N 432.498 2.344 0 40 IEAB CCOc1cccc2cc(C(=O)NCCNC(=O)c3ccc(NC(C)=O)cc3)c(=O)oc12 11739622 LBWCLDHPHPUAOL-UHFFFAOYSA-N 437.452 2.310 0 40 IEAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc2cccnc12 11858320 RCZIIITWCARAEF-UHFFFAOYSA-N 431.495 2.411 0 40 IEAB CC[C@H](C(=O)N1CCC[C@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1)c1ccccc1 12158876 CHKNFKLLNGPWBQ-IRXDYDNUSA-N 427.530 2.428 0 40 IEAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n(N)c2=O)cc1 12348123 NDHWQIMIQFYOEZ-UHFFFAOYSA-N 425.514 2.299 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 12543288 LGUMTMXWTQCFIY-UHFFFAOYSA-N 432.546 2.470 0 40 IEAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 12996265 KOKUVVGUBKESRS-HXUWFJFHSA-N 435.524 2.256 0 40 IEAB O=C(c1ccco1)N1CCC[C@@H](C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1 12999020 RPOVZJXMSJFMQJ-QGZVFWFLSA-N 445.541 2.101 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)cc1C 15780555 NTFUGMGTBVRMGL-UHFFFAOYSA-N 426.516 2.353 0 40 IEAB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(C)cc5)CC4)ncnc32)cc1 15884036 WYZFMVCPVOFLPX-UHFFFAOYSA-N 429.484 2.490 0 40 IEAB CN1CC[C@@]2(CCC1=O)CN(CC(=O)NCc1cccs1)C(=O)c1ccccc1O2 19588486 DQAOKGMXALRDAB-QFIPXVFZSA-N 427.526 2.280 0 40 IEAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CCCN2Cc1ccccn1 19706898 KNWFCODSZJQJFT-IBGZPJMESA-N 430.578 2.466 0 40 IEAB COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2C(=O)c2cnn(C)c2)nc1C 19755255 ZATWXIJIMDHOPH-LJQANCHMSA-N 434.500 2.434 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)Oc2ccccc21 19933660 RLZAMVJKAXYTCJ-FQEVSTJZSA-N 443.525 2.478 0 40 IEAB CCn1cc(C(=O)Nc2cccnc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 20728008 CZMDOLFBKZCLKB-UHFFFAOYSA-N 437.475 2.476 0 40 IEAB C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N[C@H]1CCS(=O)(=O)C1 22019997 FYRWJNVGAGBKMV-QWRGUYRKSA-N 432.618 2.038 0 40 IEAB COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 23232990 DYQBXHPFFPZUGD-UHFFFAOYSA-N 447.513 2.395 0 40 IEAB CCOc1ccc(NCC(=O)Nc2cc(OC)ccc2OC)cc1S(=O)(=O)N(C)C 29398747 JSYOJVCMSPXNAA-UHFFFAOYSA-N 437.518 2.403 0 40 IEAB Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)c(F)c2)S(C)(=O)=O)cc1F 32831224 XMUZCAXCPXZDSZ-UHFFFAOYSA-N 425.457 2.420 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1 35506004 GGMNWXMZDVZAHL-UHFFFAOYSA-N 446.419 2.317 0 40 IEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 40090872 MGQSYXQADMTIOR-HUUCEWRRSA-N 449.511 2.003 0 40 IEAB C[C@H]1CCCCN1C(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21 57428233 PXUZYTYUVRIINI-AWEZNQCLSA-N 441.509 2.403 0 40 IEAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)NCCc1cccs1 57522410 VCJICSXBGLLXJG-UHFFFAOYSA-N 428.543 2.067 0 40 IEAB Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1 57589625 NFLAKQAYRUXFKQ-JOCHJYFZSA-N 430.512 2.417 0 40 IEAB CC(C)C(=O)N[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@]23C)C1 58202094 UTUIZXGSUGQFHM-BXKMTCNYSA-N 440.544 2.139 0 40 IEAB Cc1cccc(Nc2ccc([C@H]3CCCN(CC(=O)N4CCC(C(N)=O)CC4)C3)nc2)n1 72353321 SPMBGQFNZCMHOA-IBGZPJMESA-N 436.560 2.432 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)cc1 108846932 MJUFNTWJSNZMJR-UXLLHSPISA-N 438.546 2.279 0 40 IEAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 139004662 BZTUSAAHEGEYEF-UHFFFAOYSA-N 441.440 2.332 0 40 IEAB O=C(Nc1nnc(S(=O)(=O)NCCCn2ccnc2)s1)c1ccc(Cl)cc1 223983637 IUYNGONUJUFYHW-UHFFFAOYSA-N 426.911 2.009 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)s1 224855884 NWRMOALDRKZCNL-UHFFFAOYSA-N 425.536 2.160 0 40 IEAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 225220708 DFXNEIDMQDAWKT-NSHDSACASA-N 428.536 2.277 0 40 IEAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC)S(C)(=O)=O 225223772 QKOOYHIFQILHSJ-SFHVURJKSA-N 445.585 2.487 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2OC)cc1C(=O)N1CCOCC1 225810771 LLFNVIDVAFPKFF-HNNXBMFYSA-N 434.514 2.216 0 40 IEAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCN2CCOCC2)cc1 225869892 DVHZHHIEAWCDLF-SILNSSARSA-N 429.542 2.366 0 40 IEAB CCOC(=O)CN1[C@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N[C@@H]2CCCC[C@H]21 250484057 ZBXKLESCWFWVQN-DJIMGWMZSA-N 437.924 2.352 0 40 IEAB O=C(C[C@H]1CN(C(=O)Cn2cccn2)CC[C@@H]1Oc1ccc(Cl)cc1)N1CCOCC1 257303097 SFTDSAUOXLLUCH-PXNSSMCTSA-N 446.935 2.082 0 40 IEAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)CC1 408610699 VJJDCGIWUZYCFB-INIZCTEOSA-N 440.562 2.190 0 40 IEAB Cc1ccccc1C(=O)N1CCC2(CCCCOC[C@H](C)NC(=O)[C@H](C)NC2=O)CC1 643565383 YHUFKZUZETXPNG-OALUTQOASA-N 429.561 2.427 0 40 IEAB CN1CCN(c2ncc(Br)cc2NC(=O)NCC[C@H](O)C(F)(F)F)CC1 1205371941 POHXXFXXWBTQMW-LBPRGKRZSA-N 440.264 2.031 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)Cc5ccc(Cl)cc5)C[C@H]4C3)nn12 1888941713 MGXOXUYCJRJDGA-IYBDPMFKSA-N 446.964 2.238 0 40 IEAB CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)c3cccc(=O)n3C)N2Cc2ccccc21 2055747744 SEUINZSCEGKNMU-RBUKOAKNSA-N 437.544 2.086 0 40 IEAB Cc1ccc(NC[C@H](O)Cn2c(Nc3ccc(C)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 1287832 ZASXWYMRIQJVOJ-SFHVURJKSA-N 434.500 2.257 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 3250277 MVWMUDDWJQHXMR-ZDUSSCGKSA-N 433.486 2.079 0 40 IEAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)C1=O 8769352 ZJGVUHYQJXNMEO-GOSISDBHSA-N 434.547 2.109 0 40 IEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(CS(C)(=O)=O)cc1 8882775 LOHCKTVYTOQPSO-UHFFFAOYSA-N 432.498 2.103 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C(=O)OC)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 8914124 TZIHBFDCGFSPRF-ZRNYENFQSA-N 432.432 2.162 0 40 IEAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1=O 8945178 LMCNPWLDHUMFLX-UHFFFAOYSA-N 438.550 2.203 0 40 IEAB O=C(NCC(=O)N1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1)c1ccccc1 9134595 SMWMVPXARKJRHO-UHFFFAOYSA-N 432.524 2.495 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NC2CCCCC2)cc1 9744768 IUHNVKHAGAVJQO-LJQANCHMSA-N 435.590 2.493 0 40 IEAB CCN(CC)C(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 11021484 NDQUSJKAZFSQHZ-UHFFFAOYSA-N 440.591 2.038 0 40 IEAB CCCCCCn1nc(C(=O)OCc2nc(N)nc(N(C)C)n2)c2ccccc2c1=O 11321277 KSSJCXRRURFILB-UHFFFAOYSA-N 425.493 2.167 0 40 IEAB Clc1ccccc1Cn1nnc2c1ncn1c(-c3ccc(-n4cnnn4)cc3)nnc21 13565081 ULXBDHXQBITOOS-UHFFFAOYSA-N 429.835 2.213 0 40 IEAB COC(=O)C1CCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)CC1 13673749 AORLAQZEYMNWFY-FQEVSTJZSA-N 444.509 2.055 0 40 IEAB Cc1ccc(C)c2sc(N3CCN(C(=O)[C@@H]4CCCCN4S(C)(=O)=O)CC3)nc12 13793066 QGTUMZQYLFMIBX-INIZCTEOSA-N 436.603 2.376 0 40 IEAB Cc1nnc(SCCCn2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1 13956902 PDMPLRGQBWUYRT-TXEJJXNPSA-N 449.606 2.248 0 40 IEAB O=C([C@@H]1CN(S(=O)(=O)c2ccc(Cl)s2)c2ccccc2O1)N1CCOCC1 14241384 HFMLMWYMHIOCKZ-AWEZNQCLSA-N 428.919 2.217 0 40 IEAB COC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 16850592 CBZNKZSSOWCFJE-CQSZACIVSA-N 443.481 2.324 0 40 IEAB O=C(NCCCCN1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCO2 17178453 ZEVURDGLYPNRAB-NRFANRHFSA-N 425.485 2.324 0 40 IEAB CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccccc4F)CC3)ccc21 19572495 QSPACSNOQJJJKF-JOCHJYFZSA-N 433.549 2.394 0 40 IEAB CN1c2ncccc2C(=O)N[C@@H]1c1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 19590945 QANDMVKUYQOIMH-NRFANRHFSA-N 440.463 2.378 0 40 IEAB Cc1nn2c([C@H]3CN(C(=O)c4ccc(F)cc4)CCO3)ccnc2c1CN1CCOCC1 19707707 GXQNDCMMDALCBM-OAQYLSRUSA-N 439.491 2.223 0 40 IEAB Cc1nn2c([C@H]3CCN(C(=O)c4ccccc4)C3)ccnc2c1CN1CCC(C(N)=O)CC1 19707952 XSFBHICRZCECRO-FQEVSTJZSA-N 446.555 2.365 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)c4cnn(C)c4)C3)nc2C)c1 19757870 IIAYRHPSNRPVJM-QGZVFWFLSA-N 434.500 2.087 0 40 IEAB CCN(CC(=O)NCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 19929998 PQGMXPXSSSMTAH-UHFFFAOYSA-N 436.530 2.348 0 40 IEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cncs3)cc2)cc1 19999325 ZXMZHEDJEFZVSV-UHFFFAOYSA-N 439.496 2.443 0 40 IEAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20495331 VVOOJIQBRLICSL-IBGZPJMESA-N 431.514 2.238 0 40 IEAB O=C(NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)Nc1ccc(F)cc1 22228775 OPAVUHKONTUBDN-UHFFFAOYSA-N 433.505 2.298 0 40 IEAB COc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 25053124 MSRMGLJATXHJFT-UHFFFAOYSA-N 430.526 2.426 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 25341233 PQOHUBBXBGQPEY-HSZRJFAPSA-N 448.523 2.004 0 40 IEAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCNS(=O)(=O)c1ccccc1 31173610 ZPXVOPNTFUQOSR-UHFFFAOYSA-N 425.457 2.120 0 40 IEAB NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2Cl)cc1 33715862 MDHCLKVBZNAXKO-UHFFFAOYSA-N 437.905 2.241 0 40 IEAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 35289638 SIPLPROEYSEGSG-AWEZNQCLSA-N 446.920 2.355 0 40 IEAB O=C(CN1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1)NC[C@@H]1CCCO1 35598347 GNGXSMUPUOTHQG-QFIPXVFZSA-N 447.583 2.497 0 40 IEAB O=C(COc1ccc(Br)cc1F)N1CCC[C@@H](C(=O)N2CCOCC2)C1 37136771 SINRTEZLEQTWNH-CYBMUJFWSA-N 429.286 2.064 0 40 IEAB CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(F)cc1 38201913 MUWMIIDCGKXRIS-INIZCTEOSA-N 425.420 2.418 0 40 IEAB COc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(Cn3cccn3)c2)cc1OC 40087326 IDKGZZYTNRRCED-UHFFFAOYSA-N 444.513 2.256 0 40 IEAB CC(C)Oc1ccc(CNC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(F)cc2)C3)cc1 49545003 APXQQTMOKCJWOW-UHFFFAOYSA-N 439.447 2.276 0 40 IEAB Cc1nc(-c2nnc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)o2)cs1 56904599 XBKBOMTWOYHPRM-LLVKDONJSA-N 425.517 2.355 0 40 IEAB CCC[C@H](c1nnnn1CCOC)N(CCCO)Cc1cc2ccc(C)cc2[nH]c1=O 57647200 JAJCZKVGILIGMS-HXUWFJFHSA-N 428.537 2.195 0 40 IEAB CN1CCCC[C@@H](C2CCN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)C1=O 72372044 ACAXANFCWLBENP-QFIPXVFZSA-N 430.568 2.445 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cc(Cl)ccc4OC)[C@H]3C2=O)cc1 101166120 HLTLPJSXYXPNGE-ZWKOTPCHSA-N 443.847 2.289 0 40 IEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 138636673 CMAGRHVVZDJDPH-HNNXBMFYSA-N 426.425 2.017 0 40 IEAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224244783 YJDIKVWBLCVMEX-FQEVSTJZSA-N 436.530 2.298 0 40 IEAB NS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)c1 257306215 STIIOMMSSZAOLS-JOCHJYFZSA-N 449.532 2.184 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC(COc3ccccc3)(CC(N)=O)CC2)c1 257313169 URGNRQQUWHSPDE-UHFFFAOYSA-N 448.541 2.429 0 40 IEAB CCN1CCN(C(=O)Cn2cccnc2=O)[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 257336639 YPHYFKAJTWOCGB-IBGZPJMESA-N 436.537 2.274 0 40 IEAB COCCN1C[C@]2(CCN(Cc3ccc(OC)cc3)C2)Oc2ccccc2S1(=O)=O 306129200 HXIJVHWFTOILPR-JOCHJYFZSA-N 432.542 2.369 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1cccc(C(=O)OC)c1C)c1ccc2c(c1)OCO2 408706433 SGGFZCOUPAKOSV-UHFFFAOYSA-N 434.470 2.305 0 40 IEAB Cc1cc(C)cc(S(=O)(=O)N2C[C@H]3OC[C@H](CNC(=O)C4CC(F)(F)C4)[C@H]3C2)c1 575405455 SPWDRJBRPKWFPF-CGTJXYLNSA-N 428.501 2.100 0 40 IEAB Cc1nc2ccc(C(=O)N3CCO[C@](COc4ccc(F)cc4)(CC(N)=O)C3)cc2[nH]1 585285387 YDRHIGKQPOHMJB-JOCHJYFZSA-N 426.448 2.176 0 40 IEAB O=C1CN2CCN(C(=O)c3cccnc3)C[C@H]2COc2ccc(-c3cccnc3)cc2N1 1772594597 OHFWTGIQZLYOGT-FQEVSTJZSA-N 429.480 2.301 0 40 IEAB O=C(C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)N1CCC2(CC1)OCCO2 2938262 PDSKMGFVNPQXRQ-UHFFFAOYSA-N 440.537 2.276 0 40 IEAB COc1cc(/C=C/C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC 3229762 CVDWIGIGCDASHH-FNORWQNLSA-N 429.425 2.314 0 40 IEAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1N 3361447 PHQBFKVALDZVOS-UHFFFAOYSA-N 440.529 2.235 0 40 IEAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(S[C@@H](C)C(=O)NC(N)=O)nnc23)cc1 3522696 JQLHZHUFKULWOC-ZDUSSCGKSA-N 436.497 2.076 0 40 IEAB COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1 9591273 AKEVNEMCXCNIGC-CQSZACIVSA-N 430.844 2.268 0 40 IEAB O=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 9638933 LFUTVAPAOXHSQC-UHFFFAOYSA-N 430.555 2.030 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2ccn(S(=O)(=O)c3ccc(C)cc3)c2=O)cc1 9660476 FUXSMLRMJGSGLM-UHFFFAOYSA-N 443.481 2.011 0 40 IEAB COc1ccc([C@H](CNC(=O)c2cc(S(N)(=O)=O)ccc2OC)N2CCCCC2)cc1 9739557 FPUFVKBNKNPRTE-FQEVSTJZSA-N 447.557 2.308 0 40 IEAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 9739614 VEWMRFWGETWYRB-INIZCTEOSA-N 449.554 2.123 0 40 IEAB CCCn1c(N)c(C(=O)COC(=O)c2oc3c(Cl)cccc3c2C)c(=O)n(C)c1=O 11125405 CCPUPVFHRFQNJR-UHFFFAOYSA-N 433.848 2.287 0 40 IEAB Cc1nc2ccc(S(=O)(=O)NCCn3nc(-c4cccnc4)ccc3=O)cc2s1 11743944 QLECFKPRHWNGAG-UHFFFAOYSA-N 427.511 2.202 0 40 IEAB COC(=O)c1ccc(NC(=O)C(=O)NC[C@H](c2cccn2C)N2CCCCCC2)cc1 11898797 XKZSJNHOHKMMCZ-HXUWFJFHSA-N 426.517 2.484 0 40 IEAB COC(=O)c1cc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)ccc1OC 12808758 FNQVPEXXGHFYNG-UHFFFAOYSA-N 432.498 2.124 0 40 IEAB Cc1cccc(N(Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)S(C)(=O)=O)c1 13680516 AITDQXUYPSVOBP-UHFFFAOYSA-N 445.585 2.413 0 40 IEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)[C@H](C)NC(=O)c1ccccc1 14761931 QPDPIAXWYQQWHN-KRWDZBQOSA-N 425.485 2.062 0 40 IEAB COc1ccc([C@@H]2CCCN2C(=O)CNC2=NS(=O)(=O)c3ccccc32)c(OC)c1 15829755 CRAIGHOABPLTJN-KRWDZBQOSA-N 429.498 2.106 0 40 IEAB Cn1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)c(-c2ccncc2)n1 19290322 XHRLGOMBRLQQKJ-UHFFFAOYSA-N 445.932 2.282 0 40 IEAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCOCC3)cc2c1 19499585 WBZISBSJIIPLGI-IBGZPJMESA-N 426.521 2.480 0 40 IEAB CN(CC(=O)Nc1cccc([C@H]2CCc3nncn3C2)c1)S(=O)(=O)c1ccc(F)cc1 19699089 ZFBAOPUQUBHJSI-INIZCTEOSA-N 443.504 2.406 0 40 IEAB Cc1nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2CC1CCCCC1 19738843 UTQZYBYQHDRHBE-QGZVFWFLSA-N 435.594 2.240 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19762022 VKNVHRNEIPQUHN-LJQANCHMSA-N 444.513 2.304 0 40 IEAB CCOC(=O)c1cccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 20459461 PGTSPDUXAVKRHR-UHFFFAOYSA-N 432.498 2.278 0 40 IEAB C[C@H](C(=O)NCc1ccc(F)cc1)N1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 23254065 VPKVNONGUYYFSE-QZTJIDSGSA-N 444.526 2.292 0 40 IEAB CCOCCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 40157262 SWRVEMDUBHMLDK-LJQANCHMSA-N 426.579 2.195 0 40 IEAB COCC(=O)N1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)CC1 40488377 TUGWHAPNFFVITO-UHFFFAOYSA-N 441.509 2.469 0 40 IEAB CC(C)(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CC1 58215526 CBHPSFYGAVLGCM-UHFFFAOYSA-N 426.473 2.187 0 40 IEAB O=C(NCc1cccc(N2CCOC2=O)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 71850272 GMESXNCHLLEPND-INIZCTEOSA-N 435.527 2.174 0 40 IEAB COc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)nc1I 89927856 YKYZQRUGDPCVLH-MNOVXSKESA-N 431.274 2.214 0 40 IEAB O=C(O)[C@H]1[C@H](C(=O)Nc2ccc(O)cc2)[C@H]2O[C@H]1C(Br)=C2Br 100352163 WFONNECOASBXLL-LDDIKCJXSA-N 433.052 2.430 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222669997 ZCSOFMPJTFMURB-GJZGRUSLSA-N 434.514 2.498 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCOc3ccccc32)c(Cl)c1 222835377 AFPFEAPAIXDBOQ-UHFFFAOYSA-N 440.905 2.069 0 40 IEAB COc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 224095933 BUEBXLBJJIAGNB-UHFFFAOYSA-N 440.543 2.134 0 40 IEAB COc1ccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)cc1 224599146 CJZMFJBARLCKCR-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB COc1ccc(C)cc1N([C@@H](C)C(=O)NC[C@@H]1COc2ccccc2O1)S(C)(=O)=O 225274342 XQOSZXHTJPWAQJ-JKSUJKDBSA-N 434.514 2.114 0 40 IEAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1ccc(O)nc1=O 257285741 PIPIKWOERKBEKD-IKVZYYAVSA-N 436.556 2.424 0 40 IEAB Cc1c(NC(=O)CN2CCO[C@H](c3cc(CCOc4ccccc4)n(C)n3)C2)cnn1C 257324113 WNFSOEJEHJKYPJ-QFIPXVFZSA-N 438.532 2.096 0 40 IEAB CCOc1ccc(N([C@H](C)C(=O)NCCOc2cccc(OC)c2)S(C)(=O)=O)cc1 260790414 CVICGFIWRXMTOT-MRXNPFEDSA-N 436.530 2.444 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4cncc(C)c4)C[C@H]2C3)cc1 306140603 UYQINRQRGSSYOO-SJORKVTESA-N 432.484 2.187 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)c1 1258994682 AUOTUVHTRQEZFJ-MRXNPFEDSA-N 444.557 2.178 0 40 IEAB COc1ccc(C(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)c(OC)c1 2055835408 ZYAVWQQSEGZPIM-HSZRJFAPSA-N 438.484 2.166 0 40 IEAB O=C(COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)NC1CCCC1 3374199 ZDRCTEUQQLONGP-IIBYNOLFSA-N 449.504 2.028 0 40 IEAB COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(OC)c(OC)c2)nn1C 8635496 PMYCKEZKBXWJAT-JQHSSLGASA-N 428.533 2.045 0 40 IEAB biogenic,in-vitro O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)N1CCN(c2ccccc2F)CC1 8745488 UMBRSGBIZPLPKS-FQEVSTJZSA-N 449.486 2.119 0 40 IEAB O=C1CN(C(=O)CSc2nnc(NCc3ccccc3)s2)C2(CCCCC2)C(=O)N1 8849512 BOCLDUBEXRDCFY-UHFFFAOYSA-N 445.570 2.430 0 40 IEAB Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 8849936 QYXDUPQJEQUQCF-ZRKSEFCZSA-N 435.546 2.148 0 40 IEAB CSCC[C@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)O 9058328 IASAJVBNAROAHJ-GFAPJHNFSA-N 432.454 2.102 0 40 IEAB Cc1cccc(-n2nnnc2SCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 9119827 SDRSPMOPTHXZLH-UHFFFAOYSA-N 446.558 2.260 0 40 IEAB COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1OC 9594946 IYLZCNJAILNUSX-GOSISDBHSA-N 448.541 2.433 0 40 IEAB CCCNC(=O)[C@H]1CN(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2ccccc2O1 9814923 COCPPGPVDAGFKM-QGZVFWFLSA-N 440.525 2.395 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1c[nH]nc1-c1ccccc1 11583011 VIPOQPKMYZYKGG-UHFFFAOYSA-N 432.527 2.089 0 40 IEAB COc1ccc(Cn2nnnc2CN2CCC(NC(=O)c3cccc(OC)c3)CC2)cc1 12644738 FYRDEBLBOYNPOJ-UHFFFAOYSA-N 436.516 2.133 0 40 IEAB COc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)cc1S(=O)(=O)N1CCOCC1 12687137 TWCRTPGQTUGGCR-SFHVURJKSA-N 434.539 2.372 0 40 IEAB CCCn1c(N)c(C(=O)COC(=O)c2sc(-c3ccsc3)nc2C)c(=O)[nH]c1=O 12979599 GLZGEXTTXQJAMD-UHFFFAOYSA-N 434.499 2.062 0 40 IEAB CCOC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 13649703 ASPJQGKLKQCYFJ-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB COc1cc(OC)c2cc(C(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)n(C)c2c1 13724885 IQIBDUURKWYXEM-UHFFFAOYSA-N 425.441 2.335 0 40 IEAB COc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 15047919 YHAZUDHXDVXRRW-FQEVSTJZSA-N 445.903 2.414 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1C 17261734 IRRFRUCDSMSRJU-HNNXBMFYSA-N 434.514 2.354 0 40 IEAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)C[C@@H](C)O1 17325817 UKXVFRNFOXWZKH-KDURUIRLSA-N 443.569 2.447 0 40 IEAB O=C([C@@H]1CCCO1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349266 KHXUNOCEVSQHEM-PMACEKPBSA-N 426.492 2.310 0 40 IEAB CCN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(OC)c(C)c1 19929830 LDUDSLLQAVXLAO-UHFFFAOYSA-N 431.558 2.363 0 40 IEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)COc1ccc(F)cc1Br 21972345 VUZFJNLOUQOGOH-UHFFFAOYSA-N 445.310 2.333 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1 22610118 TZZPNRROCMNVGS-INIZCTEOSA-N 438.488 2.029 0 40 IEAB COc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2=O)cc1OC 23056152 AOINJWWTYWOAQX-CHWSQXEVSA-N 425.441 2.415 0 40 IEAB CCc1ccc(C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1S(=O)(=O)N1CCOCC1 23111129 QQOXBKWRGFVDHK-UHFFFAOYSA-N 443.529 2.112 0 40 IEAB O=C(CN1CCN(C(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)CC1)N1CCCC1 23178724 KWXHAPKJSMKGRO-UHFFFAOYSA-N 446.349 2.219 0 40 IEAB CN(C(=O)CN1CCN(c2ccccn2)CC1)c1ccccc1C(=O)NCc1ccco1 23873224 XIWITPQAZKZWCW-UHFFFAOYSA-N 433.512 2.390 0 40 IEAB COc1ccc([C@H]2CCCCCN2C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 24392589 ZAYPJAORIYIKPH-YLJYHZDGSA-N 447.557 2.304 0 40 IEAB CCOc1ccccc1CNC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)CC 30866587 QGHOBXBDCFQFPM-UHFFFAOYSA-N 434.514 2.329 0 40 IEAB C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc2[nH]c(=O)[nH]c2c1 40119730 JLVXMLQKWZVNJF-CQSZACIVSA-N 442.541 2.281 0 40 IEAB COc1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)c(OC)c1 45970189 OYXDTMHPUXABIA-UHFFFAOYSA-N 429.502 2.499 0 40 IEAB C[C@@H]1CN(C(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2cc(Cl)ccc2O3)CC[C@H]1O 72327681 FAQGORDIXZTEMB-SRVWHDFXSA-N 434.920 2.286 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)C2=O)cc1 89629904 YPJBLJJVPKKQRV-MWTRTKDXSA-N 432.484 2.220 0 40 IEAB CN(C)S(=O)(=O)c1ccc2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2c1 95944736 ZEYXALRBLCXXFO-UHFFFAOYSA-N 425.923 2.364 0 40 IEAB CN(C)S(=O)(=O)c1ccc2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)n2c1 95944754 ZWZVQYSPKPCUJF-UHFFFAOYSA-N 449.602 2.157 0 40 IEAB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc2c(c1)OCO2 139112405 FFCCHRGUAWEAME-ZIAGYGMSSA-N 439.472 2.332 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)Nc2nnc(SC)s2)S(C)(=O)=O)cc1OC 225878282 MOWLODPQGZUZCC-VIFPVBQESA-N 432.549 2.070 0 40 IEAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 226402443 IRNJOXDPFSPIHX-GXOPVLEYSA-N 440.471 2.385 0 40 IEAB Cc1ocnc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257205762 BAMFHQKGKWUGDD-HFMPRLQTSA-N 427.545 2.411 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)Cc4ccccc4)C[C@@H]2C3)cc1 306136713 QAVYPSCHXQVUTH-ROUUACIJSA-N 431.496 2.412 0 40 IEAB COc1cccc(CN2CC[C@@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)c1 306143614 YGVSCSRHFOSJLV-XMMPIXPASA-N 440.544 2.169 0 40 IEAB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)N(C)S(=O)(=O)N3C)cc1 390828611 SEYPIWLRILEYLO-UHFFFAOYSA-N 437.543 2.181 0 40 IEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c(C)c1 408614352 BFBKVKFQTQTQAE-ZWKOTPCHSA-N 439.512 2.171 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408664429 QMLLJKKQBVONFW-ZFNAHCARSA-N 432.860 2.026 0 40 IEAB Cc1ccc(CN(CC(=O)NCCO)S(=O)(=O)c2ccc(Br)cc2)cc1 409077381 DYBCJILHCQQDCD-UHFFFAOYSA-N 441.347 2.057 0 40 IEAB CN(C)CCN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 585107021 OJZIKLNMDMVCCO-RDGATRHJSA-N 439.531 2.153 0 40 IEAB CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 1251975822 BXPMQAYZLSTJCL-UHFFFAOYSA-N 433.505 2.451 0 40 IEAB COc1cc([C@H]2c3cc4c(cc3O[C@@]3(OC)COC(=O)[C@H]23)OCO4)cc(OC)c1OC 1640576 YHXBZXBIGHSHTP-IPJJNNNSSA-N 430.409 2.481 0 40 IEAB CCn1cc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)c(C(N)=O)n1 2780552 ZIIPBQJCNHJSMA-UHFFFAOYSA-N 435.282 2.471 0 40 IEAB NC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1 3357398 SVOJTJNDLXEOBP-UHFFFAOYSA-N 447.944 2.429 0 40 IEAB NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl 3427091 PMUJUBHCFNKUQB-MRXNPFEDSA-N 444.340 2.222 0 40 IEAB C[C@@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc2c(c1)OCCO2 8825735 GTKCQVKXPIGWNB-KUHUBIRLSA-N 448.479 2.279 0 40 IEAB NC(=O)c1oc2ccccc2c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8896653 SQECQSPSFYHPNE-HNNXBMFYSA-N 431.445 2.463 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12)c1cccs1 8996727 OEGOSIDRDXGMLI-LJQANCHMSA-N 449.580 2.476 0 40 IEAB COc1ccc(CNC(=O)NC[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1OC 9065697 JNLRYBGKSURMTM-HNNXBMFYSA-N 427.457 2.285 0 40 IEAB COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 9184013 BZCQCGCVUKGFIB-SFHVURJKSA-N 445.541 2.371 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 9203138 DDDZURVZEMNSRR-UHFFFAOYSA-N 442.497 2.496 0 40 IEAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cccc(Cl)c2C)n(C)c1=O 9519289 SOVGYNCHTOSBOJ-GFCCVEGCSA-N 445.907 2.209 0 40 IEAB Cc1ccnn1-c1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 9575909 HYFGODRNDXYYGO-JOCHJYFZSA-N 432.480 2.447 0 40 IEAB Cc1nnc(SCCCn2c(N3C[C@@H](C)C[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1 10248864 PDMPLRGQBWUYRT-RYUDHWBXSA-N 449.606 2.248 0 40 IEAB COc1cccc(C(=O)NCCn2ncc3c(=O)n(Cc4cccc(C)c4)cnc32)c1OC 12072251 QIBPCVPIJWZMQN-UHFFFAOYSA-N 447.495 2.397 0 40 IEAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 13246838 AFRPJHBGNOVPDD-HNNXBMFYSA-N 443.930 2.416 0 40 IEAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(C(=O)c3ccncc3)CC2)C1=O 14245758 SXALENOQWNJLIU-RUZDIDTESA-N 443.507 2.417 0 40 IEAB Cc1ccc(S(=O)(=O)NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 16951851 RBEVDJMTQWHZLS-UHFFFAOYSA-N 431.566 2.466 0 40 IEAB O=C(COc1ccc2c(c1)OCCO2)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 19344930 XPEZAJIVVQLNBX-CQSZACIVSA-N 427.486 2.243 0 40 IEAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN(CC(=O)N4CCC4)C3)nc21 19743753 XLUZRCJEBUABIS-LJQANCHMSA-N 449.555 2.295 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCN(Cc2ccccc2)CC1 19930667 DMFOGVYNAMHXES-UHFFFAOYSA-N 427.570 2.404 0 40 IEAB O=C1c2cccc3cccc(c23)N1CN1CCN(S(=O)(=O)N2CCCCCC2)CC1 22009270 UEDSYOXRCYURDH-UHFFFAOYSA-N 428.558 2.496 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C)ccc2O1 30939586 MXKJMQSLKRQLMP-IBGZPJMESA-N 431.514 2.301 0 40 IEAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)c1 31065163 GWRMPTLUOGGPJZ-WBVHZDCISA-N 426.469 2.477 0 40 IEAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NC(=O)NC1CCCCC1 32910442 DTPVGJREFJVXTM-UHFFFAOYSA-N 426.502 2.359 0 40 IEAB CSCC[C@H](NC(=O)c1cccc(F)c1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12 36627021 WIBGGHJXPAPRSW-SFHVURJKSA-N 445.564 2.064 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)ccn1 40121838 OVQCJPUTCAZHEK-UHFFFAOYSA-N 439.907 2.487 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)c(Cl)c2)C1=O 41182037 IZUWLNCQOXRJMZ-SECBINFHSA-N 438.845 2.309 0 40 IEAB O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)Nc1ccc(F)cc1F 49409253 ZJYZAHOPLIUKCE-UHFFFAOYSA-N 425.457 2.330 0 40 IEAB Cc1cccc2cc(CN(CCCO)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c12 57643153 IHZKCXOTCFLPDE-UHFFFAOYSA-N 436.491 2.395 0 40 IEAB CCN(CC)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 67337092 XOGIDCJRZYDDMJ-UHFFFAOYSA-N 439.969 2.066 0 40 IEAB COc1cccc(/C(C)=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 89597889 LDPKGSRZOUSUGE-XSFVSMFZSA-N 434.474 2.460 0 40 IEAB O=C(NC[C@H](O)c1ccccc1)C(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21 95346314 AIPIRRGZHHQOHJ-FCHUYYIVSA-N 429.476 2.241 0 40 IEAB COc1ccc(-c2ccc(=O)n(CN3CCn4nc(C(F)(F)F)nc4C3)n2)cc1OC 96125521 PBWFVKGLYJZWSE-UHFFFAOYSA-N 436.394 2.011 0 40 IEAB COc1cccc(N([C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1 220165699 SMLZFMWQXHQDMF-MRXNPFEDSA-N 435.521 2.338 0 40 IEAB NC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 222750823 CRLMDSWQGKESNO-UHFFFAOYSA-N 445.541 2.297 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223610014 MGLPHEUVFVJUHN-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccccc1C 225456425 RFQTYASZZCYUHG-UHFFFAOYSA-N 432.542 2.274 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)N3CCc4nc5ccc(F)cn5c(=O)c4C3)[nH]n2)c1 225782107 GBKWWFJXTIQIIE-UHFFFAOYSA-N 449.442 2.439 0 40 IEAB Cn1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cc(=O)n(C)c1=O 257268358 MLJBQDPNHKYESN-QGZVFWFLSA-N 426.448 2.169 0 40 IEAB CNc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)C2)ncn1 257282553 OUFLYLBALJIUPJ-DEOSSOPVSA-N 438.576 2.266 0 40 IEAB O=C(c1ccco1)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(Cc1cccnc1)CC3 306123926 BAOKTBLNFRUQQD-UHFFFAOYSA-N 445.523 2.268 0 40 IEAB Cn1cc(CN2CCN(CC3CC3)[C@H](c3cn4c(N5CCOCC5)cccc4n3)C2)cn1 306133147 MDGQHEQVYBSRJO-QFIPXVFZSA-N 435.576 2.173 0 40 IEAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3cccc(F)c3)C[C@H]2N1Cc1ccccn1 306136981 QIESOWZWNGKKMD-UXHICEINSA-N 440.500 2.452 0 40 IEAB Cc1ccc(CN2CCC3(CC2)CNS(=O)(=O)c2cnc(N4CCCC4)nc23)s1 306141684 WDVJBRCBNGEWPM-UHFFFAOYSA-N 433.603 2.272 0 40 IEAB COC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC 408620760 LRQYLLMJWFBNAZ-MRXNPFEDSA-N 436.530 2.359 0 40 IEAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 408704700 RPFBREICTJHRMP-ZDUSSCGKSA-N 434.470 2.038 0 40 IEAB O=S(=O)(NCc1ccccc1CN1CCC(O)CC1)c1cccc2c1OCCCO2 1662471593 PLAMONPHGORKJM-UHFFFAOYSA-N 432.542 2.283 0 40 IEAB CC(C)n1nc(C(=O)N2CC(n3nc(-c4ccc(Cl)cc4)ccc3=O)C2)ccc1=O 1775974515 IMFUIBGASOTTDV-UHFFFAOYSA-N 425.876 2.398 0 40 IEAB COc1ccc(-c2cnc(N3CCN(C(=O)c4cc(OC)no4)CC3)c3nccn23)cc1 2055738943 CPHRVJOKGBNDAV-UHFFFAOYSA-N 434.456 2.364 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 4291144 ASBMUUGNSPAGJF-UHFFFAOYSA-N 446.456 2.023 0 40 IEAB COc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc2)c1 9403354 LNZLMBSVRNQDOT-FQEVSTJZSA-N 442.468 2.165 0 40 IEAB O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2 9739627 VEWMRFWGETWYRB-MRXNPFEDSA-N 449.554 2.123 0 40 IEAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1cc(C)ccc1OC 9761615 DGQUPRHYIWFBFX-UHFFFAOYSA-N 444.465 2.494 0 40 IEAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 9836253 LTFAJPQOCWBMNX-CYBMUJFWSA-N 429.502 2.475 0 40 IEAB CCOc1ccc(N(CC(=O)NCCCN(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 10111444 SWGUBMYJSJWUIT-UHFFFAOYSA-N 437.537 2.488 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 12873654 OPPKEYVYEFONFP-AWEZNQCLSA-N 446.554 2.044 0 40 IEAB Cc1ccccc1OCC(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036789 XEEUJESSIIWIDO-UHFFFAOYSA-N 429.484 2.247 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccc(OC)cc1OC 13114850 HAUBVIVHSPZNRF-FQEVSTJZSA-N 432.542 2.439 0 40 IEAB Cc1ccc([C@H](C)NC(=O)CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C 15104823 ZHEMWXAQIKBQBB-INIZCTEOSA-N 434.562 2.092 0 40 IEAB COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)c2ccccc2)c1 16960666 WNKQKZXAOVTRDB-UHFFFAOYSA-N 449.492 2.218 0 40 IEAB CS(=O)(=O)c1ccccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 16975316 RDPUVVJNSDGTNR-AWEZNQCLSA-N 428.557 2.334 0 40 IEAB CC(=O)c1ccccc1OCCSc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 17179803 DBPKUSBDFBRCEJ-UHFFFAOYSA-N 435.571 2.391 0 40 IEAB C[C@H]1CN(CC(=O)NCCn2ncc(-c3cnccn3)c2-c2cccs2)C[C@H](C)O1 19497457 PZTACEVPWWFBQB-HOTGVXAUSA-N 426.546 2.294 0 40 IEAB Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)CN(C)CC2 19710281 CZPXICUZQKCYRS-LJQANCHMSA-N 438.576 2.213 0 40 IEAB CNC(=O)c1cnc([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(C)cc3)C2)nc1C 19763709 TXPNSQBGORYUNW-QGZVFWFLSA-N 444.557 2.023 0 40 IEAB COc1ccc(Cl)cc1N(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccccc1 19913235 GXEYYDDDQFJDJX-UHFFFAOYSA-N 437.949 2.318 0 40 IEAB COCCCNC(=O)CN1CCN(Cn2nc(-c3ccc(Cl)cc3)oc2=S)CC1 22912078 RXOFTKMWPSZUAK-UHFFFAOYSA-N 439.969 2.254 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)cc1 26940277 QCHNHSOSZJPCOA-UHFFFAOYSA-N 426.498 2.028 0 40 IEAB CC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)c1 32103697 GCSMXCXJKCPLPD-GOSISDBHSA-N 430.486 2.206 0 40 IEAB O=C(COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccccc1O 32923995 YFDLXGPSGSKIEA-CQSZACIVSA-N 436.461 2.114 0 40 IEAB C#CCOc1c(OC)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1OC 33719165 OAAFCOAHBNUCPU-DHDCSXOGSA-N 440.408 2.188 0 40 IEAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35681037 OTDFUBBIUWENMP-UHFFFAOYSA-N 432.571 2.058 0 40 IEAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1cccc(Cn2ccnc2)c1 48278320 CVGMHPKNLJBUNJ-UHFFFAOYSA-N 425.514 2.445 0 40 IEAB CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)c1C 84794479 XIZMUKSZOKRSPP-UHFFFAOYSA-N 448.545 2.311 0 40 IEAB COc1cc(C(=O)NC(=S)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC 100750424 AIVKMXQXXMVVJY-UKRRQHHQSA-N 443.525 2.008 0 40 IEAB COc1ccc(CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 105548041 JAZJNHQFZYYYHI-KCITZHQASA-N 436.574 2.200 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223610156 PPGIATWGGJZHOL-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB Cc1ccc2c(c1)O[C@H](C(=O)NCc1ccc(CN3CCCC3)cc1)CN2S(C)(=O)=O 224505603 UXHBCUJMDZLFSQ-QFIPXVFZSA-N 443.569 2.434 0 40 IEAB O=C(NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1)C1CCOCC1 257235943 HAEDFKVLMLBIHZ-LSQMVHIFSA-N 430.589 2.227 0 40 IEAB CCN1CCN(CC(=O)Nc2ccn(C)n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257262350 LLBREHHSHIQKBR-OAQYLSRUSA-N 446.555 2.444 0 40 IEAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cc(=O)n(C)c(=O)n4C)C3)c2)cc1 257278277 OBOLAVUIWDEYTB-GOSISDBHSA-N 448.523 2.483 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 408618931 GTWOBWZMMWYDKB-SFHVURJKSA-N 431.558 2.097 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCc1ccccc1Cl 408626691 VWMXOCSUHKISRC-UHFFFAOYSA-N 438.933 2.365 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 408626738 WGWVWQVDVVXQOD-MRXNPFEDSA-N 435.521 2.240 0 40 IEAB O=C([C@@H]1CCS(=O)(=O)c2ccccc21)N1CCN(c2ncnc3ccsc23)CC1 551237922 MMIPSPUJALFKCE-OAHLLOKOSA-N 428.539 2.301 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)CO 9044407 FIMFOCLVGXBDNK-XTGKAWNFSA-N 433.574 2.063 0 40 IEAB biogenic COc1ccc(C(=O)NCCCn2ccnc2)cc1S(=O)(=O)NCc1ccccc1 9094976 UVBQKAQBBZFUID-UHFFFAOYSA-N 428.514 2.190 0 40 IEAB CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2cc(S(N)(=O)=O)ccc21 9198098 RWODLHQZJMPXKS-UHFFFAOYSA-N 448.526 2.206 0 40 IEAB Cc1cc(=O)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)nn1-c1ccccc1Cl 9217452 UIHGMJINWQUSFV-UHFFFAOYSA-N 426.860 2.386 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccccc1 9295491 ZNEQGGGSDYRRLG-LYPXWFNGSA-N 434.473 2.106 0 40 IEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@@](C)(CC)C2=O)cc1 9780624 AZSQAIBDHQXHNO-NRFANRHFSA-N 444.513 2.267 0 40 IEAB COc1ccccc1Cn1c(=O)c2cccnc2n(CC(=O)Nc2ccccc2OC)c1=O 9831027 BZYSROZIVMVBIZ-UHFFFAOYSA-N 446.463 2.262 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1F 11694532 HNPWPBHJDGKBQG-UHFFFAOYSA-N 443.460 2.296 0 40 IEAB O=C(CN1C(=O)C[C@@H](Cc2ccccc2)C1=O)N1CCC(n2c(=O)oc3ccccc32)CC1 12184639 GOJPWHNUYFTGAO-GOSISDBHSA-N 447.491 2.376 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncn3-c3ccccc3)CC2)cc1 12558975 CCZPQMKYGAWVAM-UHFFFAOYSA-N 440.525 2.418 0 40 IEAB Cc1c(C)c2c(OCC(=O)N[C@@H]3C=CS(=O)(=O)C3)cc3c(c2oc1=O)CCC(C)(C)O3 12897682 GAVQTVQQDRPEBV-CQSZACIVSA-N 447.509 2.319 0 40 IEAB biogenic COc1cc(C(=O)N[C@H](C)C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc(OC)c1OC 13058291 ZLYVGVPUWABEOH-CYBMUJFWSA-N 448.447 2.460 0 40 IEAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 14164700 BXPNORRJUPVUBM-QFIPXVFZSA-N 442.422 2.497 0 40 IEAB Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c(C)c1 15139483 LXWZZKUAXLGYHI-UHFFFAOYSA-N 432.542 2.442 0 40 IEAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@@H](C(=O)O)[C@H](C)CC)ccc12 15956376 MAADTXLXEYXYCO-LRTDBIEQSA-N 446.500 2.164 0 40 IEAB biogenic COCCCNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 16993010 VSSDBCNSHFOOAL-CQSZACIVSA-N 432.502 2.126 0 40 IEAB COc1cccc(CC(=O)N2CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)c1 19693074 JDCUUDPHOWKZOQ-HXUWFJFHSA-N 432.480 2.394 0 40 IEAB COc1ccc(-c2nc([C@@H]3CCCN(C(=O)CCn4ccnc4C)C3)[nH]c2C(N)=O)cc1 19698903 OQYOIABLODIQLA-QGZVFWFLSA-N 436.516 2.485 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)c3ccccc3OCC)C1)C2=O 19700771 HAPFAZLLAIMLEM-KRWDZBQOSA-N 428.533 2.096 0 40 IEAB COc1cccc(CC(=O)N2CC[C@@H](c3ccnc4c(CN5CCOCC5)c(C)nn34)C2)c1 19707608 GEOHTBLMFYNJCO-HXUWFJFHSA-N 449.555 2.437 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(F)cc1 20674824 YCFYSUODLCAMTQ-PMACEKPBSA-N 442.466 2.493 0 40 IEAB COc1cc2ncn(CC(=O)NCCC(=O)N[C@@H](C)CCCC(C)C)c(=O)c2cc1OC 20760735 JVUZKPZCNMLPKS-INIZCTEOSA-N 446.548 2.251 0 40 IEAB biogenic CCOc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 22229186 BYJDWHWOOZBDHQ-UHFFFAOYSA-N 447.557 2.413 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 22247637 JURQBDVJFYORMY-TZIWHRDSSA-N 432.542 2.270 0 40 IEAB O=C(CCNS(=O)(=O)c1cccs1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23559227 IQCKFZHJWBZFSM-UHFFFAOYSA-N 448.492 2.179 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccn(C)n1 24478113 OFNNNWFIUPOATL-ZDUSSCGKSA-N 447.380 2.221 0 40 IEAB CS(=O)(=O)N1CCC(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CC1 32771075 MGNJEEPLEDDGMW-UHFFFAOYSA-N 449.533 2.289 0 40 IEAB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O 33739156 OGDUGPXXBYGOLN-RQZCQDPDSA-N 425.441 2.255 0 40 IEAB COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(C)cc2)cc1OC 35672534 DRKUDVRYUSZCBJ-QGZVFWFLSA-N 439.555 2.390 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ncc(C(C)(C)C)o3)CC2)o1 40154154 XBRGCYPXNFHOEX-UHFFFAOYSA-N 425.507 2.248 0 40 IEAB Cc1cc(F)ccc1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O 40478111 JXERWEMGWJGTCR-UHFFFAOYSA-N 428.374 2.401 0 40 IEAB CCOC(=O)c1c(NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)sc2c1CCCC2 44842375 DFHMRBHEGWJELB-ZDUSSCGKSA-N 443.591 2.261 0 40 IEAB COc1ccc(N2Cc3nc(=O)n(CC(=O)NCc4ccc(Cl)cc4)n3C2=O)cc1 49545700 BALXJVZOUVAJON-UHFFFAOYSA-N 427.848 2.012 0 40 IEAB O=C(Cn1nc(-c2ccncc2)ccc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 56901062 WZMGXYWRNDOEOY-UHFFFAOYSA-N 444.417 2.068 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)cc1 59374059 RPJXMSAXRJNFMH-CQSZACIVSA-N 434.518 2.191 0 40 IEAB CC(=O)N[C@@H](c1nccs1)C1CCN(C(=O)c2ccccc2NS(C)(=O)=O)CC1 72394650 WPZJJUOAROXJPX-QGZVFWFLSA-N 436.559 2.244 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c2ccccc2C(=O)N1 95466313 YYXYJKIRDHYRLA-CQSZACIVSA-N 431.489 2.389 0 40 IEAB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225390237 UZSPHKDELWZEHC-LLVKDONJSA-N 425.536 2.462 0 40 IEAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 248004979 DJDFGWYRVHKPDU-RUYXUALKSA-N 441.557 2.116 0 40 IEAB Cc1cc(C)n(CCCC(=O)N2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)c(=O)n1 257224498 FCAYFNTVNVYVLM-OAQYLSRUSA-N 434.500 2.092 0 40 IEAB Cc1nonc1CC(=O)N1CCC[C@](C)(C(=O)NCCc2cnn(-c3ccccc3)c2)C1 257290644 QDUCACKUMNNUEP-QHCPKHFHSA-N 436.516 2.094 0 40 IEAB CCN1CCN(S(=O)(=O)c2cn[nH]c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257330972 XQVOLHXFKQWUDJ-LJQANCHMSA-N 439.541 2.183 0 40 IEAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)c2cn(C)cn2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585262428 BJBLSTYXNVBVTG-LGKPFJOYSA-N 438.503 2.370 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(OC)cc3)cc2C1=O 1941564 UWRICMYGMUSFNW-UHFFFAOYSA-N 426.425 2.123 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@H]3CCCO3)c(=O)c2[C@H]1c1ccccc1OC 2230260 DCBSQNRTTIRNJD-RDTXWAMCSA-N 426.469 2.212 0 40 IEAB CCOC(=O)c1cc(C(=O)OCC)c(=O)n(NC(=O)c2ccc(Cl)cc2Cl)c1N 2557514 QGHXTFJRKKVKJP-UHFFFAOYSA-N 442.255 2.475 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1C[C@@H](C)C[C@H](C)C1 3295229 RABMYPHHSBPPPN-GJZGRUSLSA-N 439.603 2.009 0 40 IEAB NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 8714972 VUXDLNPLNGBJKC-UHFFFAOYSA-N 426.130 2.098 0 40 IEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 8880115 UHILHRDRGJHPDJ-KZULUSFZSA-N 447.438 2.389 0 40 IEAB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)N(CCO)CCO)COC(C)(C)C3 9061134 TYEYJPIAHUNKCN-UHFFFAOYSA-N 437.518 2.143 0 40 IEAB CN(c1cccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1)S(C)(=O)=O 9194714 CXFYVUSCQREGRD-UHFFFAOYSA-N 439.559 2.267 0 40 IEAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 9465843 YRDLDQSBIPPUFR-HXUWFJFHSA-N 440.847 2.054 0 40 IEAB O=C(NCCc1ccccn1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9469762 RSYVCSYWJAAQSA-UHFFFAOYSA-N 445.541 2.003 0 40 IEAB COc1ccc(C(=O)[C@H](C)OC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 9670645 DNRFRDUAHSETHF-AWEZNQCLSA-N 430.482 2.404 0 40 IEAB COc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1OC 9745312 CEVJLWDTOPFVBQ-UHFFFAOYSA-N 432.546 2.042 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1C 10021811 UJRYXZJZORGRBT-UHFFFAOYSA-N 427.457 2.496 0 40 IEAB Cc1ccnc(SCCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248821 WXRRXBJAACOTQI-ZIAGYGMSSA-N 443.577 2.186 0 40 IEAB CCOC(=O)c1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)sc(C(=O)NC)c1C 10284594 HDWVZXHBUVBHRW-UHFFFAOYSA-N 447.300 2.095 0 40 IEAB O=C(CN1CCSC1=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 11325359 RSWVBGWVYJIPNO-UHFFFAOYSA-N 449.510 2.366 0 40 IEAB O=C(NC[C@H](c1ccc(F)cc1)N1CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 11998202 XXTYKHVTSRKERA-HXUWFJFHSA-N 445.516 2.459 0 40 IEAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCCn1ccnc1 12233027 ZAGQCUWEWOLPAQ-INIZCTEOSA-N 435.513 2.022 0 40 IEAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12746953 NDJWVKFSBKGEJL-GPZRYRNASA-N 427.526 2.485 0 40 IEAB CCOC(=O)C1=C(CN2CCN(c3ccccc3OC)CC2)NC(=O)N[C@H]1c1ccco1 15375907 VMVVARVXNXSZFV-NRFANRHFSA-N 440.500 2.282 0 40 IEAB COc1ccc(CCNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1OC 15652353 KAPOELKFKGYIJG-UHFFFAOYSA-N 448.541 2.469 0 40 IEAB Cc1ccccc1SCC(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 16804586 BDBZRVJCQOZWCJ-CQSZACIVSA-N 434.539 2.256 0 40 IEAB O=C(NCCN1CCCC1=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372560 XRKXHHVLBGZUAD-FGZHOGPDSA-N 437.515 2.495 0 40 IEAB O=C(CS(=O)(=O)Cc1ccccc1)N1CCC[C@@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 19372723 GSKZHVLBBMKRND-LJQANCHMSA-N 438.509 2.110 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19400106 BEQLTGSTNNVAPG-FQEVSTJZSA-N 444.495 2.126 0 40 IEAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)S(=O)(=O)c2ccc(F)cc2C)cc(N(C)C)n1 19760311 PCWUMWNITQEGRO-GOSISDBHSA-N 449.552 2.494 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)Oc2ccccc21 20110227 HYKGERCQTWGFLB-FQEVSTJZSA-N 426.498 2.106 0 40 IEAB CC[C@@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22328121 GXCWQTZELPLPDU-LJQANCHMSA-N 438.571 2.432 0 40 IEAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccccc1F 23996554 RMZHNCJMBGMYAA-OAHLLOKOSA-N 435.521 2.404 0 40 IEAB C[C@H]1C[C@H](OC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C(=O)O1 32736478 ZTYROKYINXOJNR-FZMZJTMJSA-N 435.420 2.353 0 40 IEAB CSCC[C@H](C(=O)N1CCN(c2nccs2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 32904499 ZYASWKQGKDHPMB-OWCLPIDISA-N 436.603 2.089 0 40 IEAB COc1ccc(OC)c2[nH]c(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc12 40283438 RLGDCQYIULZTKP-UHFFFAOYSA-N 443.525 2.473 0 40 IEAB COC(=O)[C@@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)c1ccccc1 60317844 XUOZIJFMDSBSKC-KRWDZBQOSA-N 440.315 2.394 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(C(=O)c4nccn4C)C3)nc2C)c1 72345555 YFVDWFRXXFGUJJ-GOSISDBHSA-N 448.527 2.477 0 40 IEAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 100886628 ZTAJVSUTXFRBOA-SFTDATJTSA-N 439.537 2.055 0 40 IEAB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)OCC(=O)N[C@@H](Cc1ccccc1)C(C)=O)(C3)C2 195530724 ATXJQVXAQZGLQF-XBWQGGSUSA-N 440.540 2.321 0 40 IEAB O[C@@H]1C[C@H](SC2=N[C@@H](C(F)(F)F)C[C@@H](c3ccc4c(c3)OCO4)N2)[C@@H]2CO[C@@H]1O2 222436953 HWZQGAWBBFDJRA-XKQXWOLCSA-N 432.420 2.345 0 40 IEAB Cc1cccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 224115901 ZZGVGBAZNPHZCC-UHFFFAOYSA-N 434.514 2.465 0 40 IEAB COc1ccccc1OCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C 224187469 NUIFFITWULLAPK-UHFFFAOYSA-N 435.546 2.120 0 40 IEAB OCCCOc1ccc(CN2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 257335326 YJRXSLUCVRRULX-VWLOTQADSA-N 425.573 2.207 0 40 IEAB Cc1cccnc1NC(=O)c1cn2c(nc1=O)[C@]1(CCN(C(=O)c3ccccc3)C1)CC2 306124578 BTWHTGGOWLAWOQ-DEOSSOPVSA-N 429.480 2.387 0 40 IEAB COCCNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl 408635569 FBFLPRJOQRJETI-UHFFFAOYSA-N 438.933 2.228 0 40 IEAB O=C(c1cccc(C(=O)N2CCOC[C@H]2C(F)(F)F)c1)N1CCOC[C@H]1C(F)(F)F 606790428 WYJKFNRFFCIMPF-KBPBESRZSA-N 440.340 2.493 0 40 IEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)c1[nH]c(C)c(C(=O)OC)c1C 3439401 YGXABIAJAGIJNL-UHFFFAOYSA-N 429.473 2.333 0 40 IEAB COc1cc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=S)[C@H]2C)OCO4)cc(OC)c1OC 6003213 JUNCLJIIVWLKKX-XGGWZBKUSA-N 447.513 2.265 0 40 IEAB COCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C 8724556 YRWWQZFFZIHZNI-ZDUSSCGKSA-N 430.896 2.002 0 40 IEAB O=C(COc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1)Nc1ccccc1 9234137 CTBRIAAIRCIWAB-UTKZUKDTSA-N 437.496 2.352 0 40 IEAB O=C(NCCc1ccc(O)cc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9303583 KXTDXTRISPRICE-HNNXBMFYSA-N 446.554 2.157 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccccc5)C(=O)[C@H]24)O3)cc1OC 9304540 FOSYIVZCKGXOGG-XBZNOJLSSA-N 434.492 2.349 0 40 IEAB C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NCc1ccccc1 9418358 NBGRWELMJGMGIC-WMZOPIPTSA-N 447.532 2.048 0 40 IEAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 12854282 APAOPZOCJIAOIR-UHFFFAOYSA-N 441.509 2.296 0 40 IEAB Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 13000962 HSAFREVEULSSPB-UHFFFAOYSA-N 431.345 2.490 0 40 IEAB CCC(CC)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 13031600 ZDMVWJPMNDZGTE-UHFFFAOYSA-N 437.484 2.196 0 40 IEAB CCOC(=O)N1CCN([C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)CC1 13133844 FYKHALZNZVSANL-RTWAWAEBSA-N 429.542 2.405 0 40 IEAB CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)Nc3cc(C)on3)nc(C(C)(C)C)nc21 13147867 GZQWGBFJDOESKX-UHFFFAOYSA-N 446.533 2.225 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Cl 13648489 DXIYMLSXJWCPHJ-UHFFFAOYSA-N 444.962 2.352 0 40 IEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccccc1C(=O)NCc1cccnc1 13685212 CEOBDRWRNJVPCD-HDICACEKSA-N 432.480 2.291 0 40 IEAB C[C@H](C(=O)N1CC[C@H](c2nc(O)c3c(n2)CN(C2CCCCC2)CC3)C1)N1CCCC1=O 19077715 HIZNKYMNVCHKJN-SJORKVTESA-N 441.576 2.200 0 40 IEAB O=S(=O)(CCc1ccncc1)N1CCO[C@@H](c2nc(Cc3ccccc3F)no2)C1 19349723 JSDUCWANPSKTHK-GOSISDBHSA-N 432.477 2.140 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O 19699705 ZDDHUJDWCLREPW-HXUWFJFHSA-N 444.551 2.402 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(CC(=O)N(C)C1CCCCC1)C2 19710905 OXRTVDCICUXZSM-UHFFFAOYSA-N 442.608 2.393 0 40 IEAB COCCCNC(=S)N(CCN1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 19823601 BUPHKJFSIOPULE-UHFFFAOYSA-N 446.617 2.190 0 40 IEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(OC)c(OC)c2)c1 22230319 QXFPLPLMGXZVID-GOSISDBHSA-N 448.541 2.490 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCCN2CCN(C)CC2)cc1 22933927 BEEZDGFJETZPOE-UHFFFAOYSA-N 444.601 2.187 0 40 IEAB COc1cc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)CCC3)cc(OC)c1OC 23558873 SAMOMIVWGFEIFI-UHFFFAOYSA-N 427.453 2.357 0 40 IEAB O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 27999655 UHDAUSUSBRABEY-UHFFFAOYSA-N 443.507 2.341 0 40 IEAB CN(CC(=O)Nc1nc2c(s1)CCCC2)S(=O)(=O)c1ccc2c(c1)OCCCO2 30771512 VPPZONQRANMORM-UHFFFAOYSA-N 437.543 2.442 0 40 IEAB O=C([C@H]1CCCO1)N1CCN(CC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)CC1 36386789 COLFSRHFHTXUKO-JTHBVZDNSA-N 435.524 2.477 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 38854287 QIPCEQMMNCJHLP-QGZVFWFLSA-N 444.937 2.059 0 40 IEAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCCN3C(=O)c3cccnc3)nc2n(C)c1=O 72380141 JBZOKJKZZAELBW-OAHLLOKOSA-N 447.417 2.413 0 40 IEAB O=S(=O)(c1ccc(Br)cc1)N1CCCSC[C@H]1CN1CCOCC1 90609229 JOGKWHMLKXIWAD-OAHLLOKOSA-N 435.409 2.278 0 40 IEAB CS(=O)(=O)c1ccc(-c2cnc(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)o2)cc1 95424036 PBUHBLILJHBHNV-SFHVURJKSA-N 442.493 2.490 0 40 IEAB CS[C@@H](CO)[C@@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 95426680 ITWWBQPHASYBPF-CJNGLKHVSA-N 444.600 2.181 0 40 IEAB Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cnc1Cl 95445367 GKIOSNIFMNGOBA-UHFFFAOYSA-N 445.935 2.497 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)CC1 96119643 IVJGAWVOPPXZAP-UHFFFAOYSA-N 441.513 2.333 0 40 IEAB COc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102076244 VOFDLUPQNFQHCU-DRAPOSMRSA-N 437.492 2.499 0 40 IEAB Cc1cc(C)c2c(c1)[C@@]1(N[C@@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 105347937 UAOHXMBTDCHQGE-RGOKGVQPSA-N 425.529 2.127 0 40 IEAB O=C(c1cc(Br)ccc1Cl)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206902847 ZBWQXRMPSRTULZ-UHFFFAOYSA-N 448.712 2.436 0 40 IEAB O=C1O[C@@]2(CCCN(C(=O)CCNS(=O)(=O)c3ccccc3F)C2)c2ccccc21 207985973 GSVKRDJFYYWLDM-OAQYLSRUSA-N 432.473 2.182 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)c4ccnc(NC)c4)CCO3)c2)cn1 257328781 XHCBGDAPSXVZDQ-NRFANRHFSA-N 446.511 2.462 0 40 IEAB COc1ccc(CN2CCO[C@]3(CN(Cc4cnn(C)c4)C[C@@H]3c3cccnc3)C2=O)cc1 306125497 CSOACUNZUPNPRK-NOZRDPDXSA-N 447.539 2.221 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C 408622254 MZXDROQELBXTSY-LJQANCHMSA-N 445.585 2.405 0 40 IEAB COc1cc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)ccc1OCC(=O)O 409216236 IZYCDNWYMBZFBV-PXNMLYILSA-N 446.437 2.104 0 40 IEAB COc1cc([C@H](CC(=O)NCCCn2cccn2)c2oc(C)cc(=O)c2O)ccc1O 524730945 DCZWXJHWKSCNLN-INIZCTEOSA-N 427.457 2.293 0 40 IEAB biogenic COc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1NC(C)=O 575426292 QOUKZHCCUMUNHQ-INIZCTEOSA-N 438.527 2.036 0 40 IEAB O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)C1(c2cccs2)CCCC1 575604862 CJLMRSCTHLZIMH-UHFFFAOYSA-N 442.589 2.498 0 40 IEAB C[C@@H](COc1ccc(F)cc1)NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1625378244 MMQVOXOUKCWDKZ-ZDUSSCGKSA-N 442.534 2.230 0 40 IEAB Cc1ccccc1-c1nc(SCC(=O)N2CCCCC2)c2c(=O)n(C)c(=O)n(C)c2n1 8895677 NUBHGAMOVTZLOW-UHFFFAOYSA-N 439.541 2.107 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 9365975 QAOGIOPKOTTXPY-QGZVFWFLSA-N 449.960 2.199 0 40 IEAB Cc1c(C)n(-c2ccc(Br)cn2)c2ncn(CCN3CCOCC3)c(=N)c12 9419064 SNPFCFZNGWOFSJ-UHFFFAOYSA-N 431.338 2.413 0 40 IEAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCCCCCC1 9438709 ZERCNZOPJGMTHQ-UHFFFAOYSA-N 438.546 2.093 0 40 IEAB Cc1ccccc1Nc1nc(N)nc(COC(=O)CCc2nc3ccccc3c(=O)[nH]2)n1 9544571 HXPMMCJCOJQLSY-UHFFFAOYSA-N 431.456 2.418 0 40 IEAB CCOC(=O)N1CCc2c(sc(NC(=O)[C@H]3COc4ccccc4O3)c2C(N)=O)C1 9638991 QESBHVQVXZZFBA-CQSZACIVSA-N 431.470 2.140 0 40 IEAB CCOc1ccccc1-n1c(C)cn2c3c(=O)n(CC(=O)C(C)(C)C)c(=O)n(C)c3nc12 10271848 GASJBADVWLZTNP-UHFFFAOYSA-N 437.500 2.461 0 40 IEAB Cc1cc(=O)c(C(=O)NCCn2cncn2)c(CCc2ccccc2)n1C[C@H]1CCCO1 11974981 NTUCHHYBRKDVBK-HXUWFJFHSA-N 435.528 2.142 0 40 IEAB COc1ccc(NC(=O)c2cc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)ccc2F)cc1 12031372 WSRZGBKMYCPMLV-HNNXBMFYSA-N 427.475 2.047 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 12750472 WFOVAINCRPYETO-NRFANRHFSA-N 431.533 2.460 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 15971403 KPTDGQFMQKTSMU-KRWDZBQOSA-N 430.592 2.002 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@H]3C(=O)O)CC2)c1 17099024 YSSHBUWXFBVHDW-ZYKFHVCXSA-N 434.558 2.273 0 40 IEAB Cc1nn(Cn2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)n2)c(C)c1Br 17099371 STNPOKJMEVBWLD-ZDUSSCGKSA-N 435.204 2.047 0 40 IEAB O=C([C@H]1CCCO1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343630 ZJIIOYLHBBGZEX-HNAYVOBHSA-N 428.558 2.275 0 40 IEAB COc1cccc(OC)c1OCC(=O)N1CC[C@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 19568189 QOZYYKJZCJJNRN-INIZCTEOSA-N 436.468 2.244 0 40 IEAB Cc1cnc(-c2nc(CN(C)C(=O)[C@H]3CCCO3)ncc2C(=O)NCc2ccccc2)cn1 19696905 DRXRWEMJJHTZAA-HXUWFJFHSA-N 446.511 2.309 0 40 IEAB Cn1cc(C(=O)N2CC[C@@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)cn1 19703433 DDIQJOUXOHUAFH-CQSZACIVSA-N 425.514 2.132 0 40 IEAB Cc1nccn1C[C@@H]1CCCN(C(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)C1 19751698 LWIVJNNDLXZRRE-NRFANRHFSA-N 447.539 2.222 0 40 IEAB Cc1cccc(N2CCN(CCNC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)CC2)c1 23172293 STRJGEXKRHNAJK-UHFFFAOYSA-N 444.601 2.234 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC#N)c(OC)c3)C2=O)o1 35086574 RDACVGRJXWJBDC-ZSOIEALJSA-N 441.396 2.079 0 40 IEAB COC(=O)COc1ccc(S(=O)(=O)N2CCCN(Cc3ccc(C)cc3)CC2)cc1 40119106 BURKXDIUWLFFHK-UHFFFAOYSA-N 432.542 2.443 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3csc(-c4ncccn4)n3)CC2)c(C)c1 40149014 ANJXZRPLDHOEJJ-UHFFFAOYSA-N 443.554 2.364 0 40 IEAB COc1ccc(-c2nnc3sc(NC(=O)CN4C(=O)c5ccccc5C4=O)nn23)cc1 41076458 CNVOFNMJUUYEEI-UHFFFAOYSA-N 434.437 2.096 0 40 IEAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 60677431 USLJRTACHFIUIX-NRFANRHFSA-N 441.553 2.304 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)c3cc(-c4ccc(F)cc4F)n[nH]3)n2)n1 77100070 NDIZKZLTMZDXOM-UHFFFAOYSA-N 439.426 2.144 0 40 IEAB NS(=O)(=O)OC[C@@H]1C[C@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O 95616587 MPUQHZXIXSTTDU-LNMJFAINSA-N 443.529 2.063 0 40 IEAB Cc1ccc(NC(=O)[C@H](C)N2CCN(CC(=O)N3CCCC3)CC2)c(Br)c1 96833116 DZISNPJKGLVPML-INIZCTEOSA-N 437.382 2.325 0 40 IEAB COc1ccccc1OCCNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 224739364 DBVLSEUABKUFSD-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB CCOC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)CC1 224756568 IQIJSGMKOGLZSZ-UHFFFAOYSA-N 438.531 2.063 0 40 IEAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccccc3CN3CCCC3=O)ccc21 225681433 NPCPIAPJPBFKDP-UHFFFAOYSA-N 431.539 2.201 0 40 IEAB COc1ccc(Br)c(C(=O)NCCN2c3ccccc3N(C)S2(=O)=O)c1 253471768 FPZFGCJEAVMJML-UHFFFAOYSA-N 440.319 2.389 0 40 IEAB COc1ccccc1[C@H]1CN(C(C)=O)CCN1CC(=O)NCCc1nc2ccccc2[nH]1 257324996 WRALJDGZCPZYTC-OAQYLSRUSA-N 435.528 2.136 0 40 IEAB Cc1noc(C)c1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 257341216 ZJJZOWWKQVUGBP-ICSRJNTNSA-N 427.501 2.450 0 40 IEAB COc1ccc(C)cc1N([C@H](C)C(=O)NC[C@@H]1COc2ccccc2O1)S(C)(=O)=O 260910282 XQOSZXHTJPWAQJ-HZPDHXFCSA-N 434.514 2.114 0 40 IEAB Cc1nc(C(=O)N2C[C@H](c3cccnc3)[C@@]3(C2)OCCN(Cc2ccncc2)C3=O)cs1 306131872 KRTMBZBVUGUIHP-AUSIDOKSSA-N 449.536 2.279 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408665966 RWAYQXMMAYNDSU-PRNVEUERSA-N 436.386 2.383 0 40 IEAB CN1CCC[C@H](N2CCN(S(=O)(=O)c3cnc4onc(-c5ccccc5)c4c3)CC2)C1 685592095 TZUUCZOOZOLADP-SFHVURJKSA-N 441.557 2.290 0 40 IEAB COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1 1223349 QRPZWWLNMXWODO-UHFFFAOYSA-N 429.458 2.197 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)Nc2cnn(Cc3c(F)cc(F)c(F)c3F)c2)CC1 2804743 DLZVEXBSIJFHTH-UHFFFAOYSA-N 434.415 2.098 0 40 IEAB CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C 8706135 QKDIFVNPTGHNAA-KRWDZBQOSA-N 438.532 2.355 0 40 IEAB Nc1c(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 8901036 DHAFACQRVBRHII-UHFFFAOYSA-N 430.515 2.084 0 40 IEAB O=C([C@@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)c2ccccc2O1)N1CCOCC1 9583735 NJGGIPGPNFYKAD-QFIPXVFZSA-N 449.507 2.470 0 40 IEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 9608520 GMGBGYRQSVSKNG-HSZRJFAPSA-N 435.436 2.192 0 40 IEAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)N1CCN(c2ccccc2)CC1 9798835 KIRYAFZFDCNIFZ-UHFFFAOYSA-N 428.558 2.232 0 40 IEAB O=C(CSc1nnc(CN2CCCC2)o1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 9963909 APSZODLWUBAIJD-MRXNPFEDSA-N 442.607 2.106 0 40 IEAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089414 PSHRASGOXMGDPS-LJQANCHMSA-N 431.562 2.300 0 40 IEAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12551520 UWHUUSNJOSJYEF-LBPRGKRZSA-N 433.515 2.043 0 40 IEAB COc1ccccc1-c1noc(COC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)n1 12917304 NXIGMHSDLJVLDT-UHFFFAOYSA-N 447.469 2.361 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(=O)n(C)c1=O 13056898 RDJNSPYPLGAYHS-UHFFFAOYSA-N 433.530 2.155 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC[C@@H]1CCCO1 13555428 PDSJGGLQYLHPKJ-HPJOVRGTSA-N 431.558 2.083 0 40 IEAB Cc1ccc(C)c2sc(N3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nc12 13705032 HFVXQOJGVKGWAQ-UHFFFAOYSA-N 436.603 2.233 0 40 IEAB O=C([C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)c2ccccc2O1)N1CCOCC1 14228721 UMMXBEMAZDUFML-GOSISDBHSA-N 430.844 2.335 0 40 IEAB O=C([C@H]1CN(C(=O)Cn2nc(-c3ccccc3)oc2=O)c2ccccc2O1)N1CCCCC1 14237730 DSCGRXGXCLRTIG-HXUWFJFHSA-N 448.479 2.310 0 40 IEAB Cc1oc(C)c(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1C 16542178 VNINPTHSFOZTDW-UHFFFAOYSA-N 434.514 2.036 0 40 IEAB C[C@H](C(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1)N1CCCC1=O 19077912 HSYYPSCXDJVKGJ-QGZVFWFLSA-N 449.555 2.325 0 40 IEAB CC(C)c1nccn1CCCNC(=O)[C@@H]1[C@H](C(=O)N(C)C)[C@]1(C)C(=O)c1ccccc1N 19454503 OZRYDMBFOMXPKR-XLNZFTOWSA-N 439.560 2.318 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3c[nH]c4ccc(OC)cc34)CC2)cc1 19557077 GHCKRHWFRJNWJO-QFIPXVFZSA-N 445.541 2.225 0 40 IEAB CCn1nc(C)c(CN2CCO[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)c1C 19703208 GNUXHJRBRUUUTO-GOSISDBHSA-N 443.573 2.425 0 40 IEAB CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)Cn2c(C)cc(C)nc2=O)nc1C 19765618 JXYDRHQMGYURFN-LJQANCHMSA-N 440.548 2.194 0 40 IEAB CCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)C3 19962315 OTWIVIXWFCDGDZ-GFCCVEGCSA-N 439.468 2.433 0 40 IEAB O=C(c1ccc(=O)[nH]c1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 21875873 NMJPGJYUDXNIAE-UHFFFAOYSA-N 449.838 2.194 0 40 IEAB CC(C)(C)c1cc(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)n(-c2ccccc2)n1 22788372 NOXFDNBXZYFSDK-UHFFFAOYSA-N 438.576 2.005 0 40 IEAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22805333 KYPJLQSPIXVHHW-NHCUHLMSSA-N 431.533 2.310 0 40 IEAB Cc1cc(=O)c(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)nn1-c1ccccc1 23012980 YYYIWTJHMJSNMA-UHFFFAOYSA-N 447.495 2.064 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1cccs1)N1CCOCC1 23744970 MEIUYWSZQUWDQB-NHCUHLMSSA-N 440.569 2.466 0 40 IEAB Cc1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2CCN2CCOCC2)no1 23908461 UKXQBVWFYUONSU-UHFFFAOYSA-N 446.508 2.444 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)CCCOc3ccccc3)CC2)cc1 24111770 QDSTVDYYZIIVSR-UHFFFAOYSA-N 445.541 2.370 0 40 IEAB COc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1S(=O)(=O)NC(C)C 32760851 SXJRYNHSRLCOLE-INIZCTEOSA-N 426.922 2.499 0 40 IEAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 32901190 MGGPUMZJQQIZLM-IBGZPJMESA-N 431.533 2.422 0 40 IEAB NC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c2ccccc2O1 32986161 DHTCMUUSOJHHGI-HNAYVOBHSA-N 427.888 2.472 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3cccs3)CC2)cc1 38731322 UPINFJWYUWWRLI-ROUUACIJSA-N 447.582 2.087 0 40 IEAB COc1ccc2c(c1)CCN=C2C[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)O 49590458 CYSRAQWUZAZTGW-WMZOPIPTSA-N 429.517 2.296 0 40 IEAB biogenic,in-vitro COC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@H]1c1cccs1 57415957 SJEUHJJQNNDBQY-FQEVSTJZSA-N 442.541 2.360 0 40 IEAB O=S(=O)(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc(F)c(Cl)c1 70924553 GLCVRATUZIYFFN-UHFFFAOYSA-N 447.941 2.253 0 40 IEAB COc1ccc2c(c1)NC1(CCN(C(=O)Cc3c[nH]c4ccccc34)CC1)NS2(=O)=O 72327969 MAELDTHQYDAAQG-UHFFFAOYSA-N 440.525 2.442 0 40 IEAB CCN1C[C@H]2C3(CCN(S(=O)(=O)c4cccc(OC)c4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96143883 BBJQJFZZVJIMMR-NZQKXSOJSA-N 449.617 2.286 0 40 IEAB CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4ccccn4)cc32)n1 96156452 SMUFORLSUWKPRY-SFHVURJKSA-N 440.529 2.096 0 40 IEAB CN1CCC(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)CC1 113947468 TWXGILNQXHDAFJ-UHFFFAOYSA-N 431.961 2.231 0 40 IEAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 219972270 MFJQAQXOYNQTPQ-GOSISDBHSA-N 432.542 2.354 0 40 IEAB COc1cc(OC)cc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224280454 GXJXIFURTDAPEB-UHFFFAOYSA-N 434.514 2.297 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)NC1CCN(c2cc3c(nn2)CCCC3)CC1 225793163 LNEZCGQHIMHRRF-UHFFFAOYSA-N 428.558 2.304 0 40 IEAB Cc1nc(N(C)S(C)(=O)=O)sc1C(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 225879854 NSJIHXBLPUFYQR-UHFFFAOYSA-N 436.559 2.265 0 40 IEAB O=C(c1ccccc1CN1CCOCC1)N1CCOC[C@H](Cc2cccn3nccc23)C1 257203984 ASMSLCCWAHHBIO-HXUWFJFHSA-N 434.540 2.498 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)CCCn2cccn2)CC1 257303958 SJMTWIQWEAYGIV-CQOQZXRMSA-N 426.561 2.499 0 40 IEAB OC1(CN2CCOC[C@](O)(COc3ccccc3)C2)CCN(c2ccc(F)cc2)CC1 585286030 GYPLOCYCHBARBT-DEOSSOPVSA-N 430.520 2.299 0 40 IEAB COc1cccc(NC(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)c1 1549160208 BHTBXNQVFXEMNH-SFHVURJKSA-N 428.489 2.135 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3CC[C@@H](COc4ccc(C5CC5)nn4)C3)ccc2N1 1888897762 FEBRMDCSMZKPCR-CQSZACIVSA-N 428.514 2.328 0 40 IEAB CS(=O)(=O)c1cccc2sc(N3CCO[C@@H](C(=O)N4CCC(F)(F)CC4)C3)nc12 2087145702 LJSNHUGPGLPJMT-GFCCVEGCSA-N 445.513 2.163 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(CC)c3)c(=O)n2[C@@H]1c1cccs1 2806365 QLWAABZJBNGTTC-NQUDRAQSSA-N 428.539 2.076 0 40 IEAB Cc1ccc(NC(=O)COC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1Cl 3448594 YSASBIRVYVEQOQ-GFCCVEGCSA-N 435.889 2.257 0 40 IEAB CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NC[C@H]3CCCO3)cc2c1 6196617 MHNINFMFLUGGMQ-LJQANCHMSA-N 432.590 2.344 0 40 IEAB CCOC(=O)c1c(CN(C)CCO)n(C)c2cc(Br)c(OC(C)=O)cc12 8663749 WJMQKTZWGZDBTH-UHFFFAOYSA-N 427.295 2.467 0 40 IEAB CC(=O)NCCC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 8740029 BJTUIYYCXSYYPX-OAQYLSRUSA-N 440.496 2.264 0 40 IEAB biogenic CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 8940022 NIYWEDVEOBHVIW-UHFFFAOYSA-N 441.557 2.169 0 40 IEAB CC1(C)Cc2c(sc(NC(=O)C(=O)N(CCO)Cc3ccccc3)c2C(=O)O)CO1 9435644 DWVQXXKFMKHNLX-UHFFFAOYSA-N 432.498 2.257 0 40 IEAB CSc1ccccc1NC(=O)[C@@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21 9551308 YXAFHOWDXXVPTP-CYBMUJFWSA-N 447.538 2.408 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1 10187755 ZJWVHCIVHAHZAE-UHFFFAOYSA-N 443.456 2.113 0 40 IEAB CC(=O)[C@@H](C)N1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C 10363226 PGPFXUJNAOLCLR-HZPDHXFCSA-N 436.516 2.296 0 40 IEAB CC1=NN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccc(F)cc4)c(=O)n3C)n2C1 10364876 DODOPRTVJWSUTR-UHFFFAOYSA-N 432.459 2.480 0 40 IEAB COc1ccc2c(COC(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)cc(=O)oc2c1 10744135 WZIFYFZVPGWAKW-XMHCIUCPSA-N 428.441 2.346 0 40 IEAB CC(=O)N1CCC[C@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)NCc2nccn2C)C1 12087520 QUFGGVQJMNQDIC-WMZHIEFXSA-N 441.507 2.387 0 40 IEAB COc1cccc(-c2nc(COC(=O)[C@@H]3CCCN3S(C)(=O)=O)cs2)c1OC 12817611 AIPARWPDLIZUDL-AWEZNQCLSA-N 426.516 2.295 0 40 IEAB Cc1ccc(N2C(=O)N([C@@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)[C@@H]2C)cc1 12819924 RCMRPFKXQNQRLF-IRXDYDNUSA-N 438.484 2.118 0 40 IEAB Cn1c(CCC(N)=O)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 13119757 QHZNFXKMDUDOEL-ZDUSSCGKSA-N 444.542 2.358 0 40 IEAB CCOC(=O)c1ccc(-n2c(=O)[nH]c(O)c([C@@H]3NCCc4c3[nH]c3ccccc43)c2=O)cc1 16977550 WQMWDRSNVHNKGO-FQEVSTJZSA-N 446.463 2.125 0 40 IEAB biogenic CCN(CC)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1C 18068377 HOQKEFMTUNRLQE-ROUUACIJSA-N 447.557 2.305 0 40 IEAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@]4(CC=CNC4=O)C3)c(Cl)cc21 19524228 ZDSSAUHCDXOMEQ-SFHVURJKSA-N 425.894 2.072 0 40 IEAB COc1cc(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)cc(OC)c1OC 19549805 AAJHRUMUZORVFH-OAHLLOKOSA-N 425.493 2.068 0 40 IEAB CN1C[C@H](c2cc(N(C)C)nc(C3CCN(CC(=O)NC4CCCCC4)CC3)n2)CC1=O 19697516 PZSIBYPAYYJVPT-GOSISDBHSA-N 442.608 2.117 0 40 IEAB CC(C)C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699333 XWKQBWDFICHJAP-UHFFFAOYSA-N 426.561 2.263 0 40 IEAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)Cc1cccc(OC)c1)CC2 19710330 CFJXYLKIDGAMQH-SFHVURJKSA-N 437.544 2.380 0 40 IEAB Cc1cc(C(=O)N2CC[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)nc(N)n1 19761683 LHFNVVFENGPPJS-MRXNPFEDSA-N 446.511 2.018 0 40 IEAB CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c2cccn2C)CC1 21156894 XTVCEMQKRCPCFC-SFHVURJKSA-N 437.466 2.087 0 40 IEAB C[C@]1(NS(=O)(=O)c2cc(Br)ccc2Br)CCS(=O)(=O)C1 23743427 VDDPXTSRKZRNSV-NSHDSACASA-N 447.170 2.067 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 24748282 HVPSGSXFWAFYIW-UHFFFAOYSA-N 447.557 2.338 0 40 IEAB CS(=O)(=O)N1CCCN(C(=O)c2cc(Br)c(Br)s2)CC1 32796886 WJMQOJUDNUKPRD-UHFFFAOYSA-N 446.186 2.381 0 40 IEAB COc1cc(OC)c2[nH]c(C(=O)OCC(=O)N(CCC(N)=O)c3ccccc3)cc2c1 32906258 WLHPJMLWXKAOFO-UHFFFAOYSA-N 425.441 2.251 0 40 IEAB COc1ccc(-c2c3c(=O)n(NC(=O)c4cccnc4)ccc3nc3nc(C)nn23)cc1 38828801 ICJMYRFPMNTQRB-UHFFFAOYSA-N 427.424 2.202 0 40 IEAB COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc(NC(C)=O)cc2C)CC1 56997611 ZEUAJXHONUZRRI-UHFFFAOYSA-N 446.573 2.063 0 40 IEAB CCN(CC)CCNC(=O)c1ccc2nnc([C@H]3CN(CC4CC4)CCN3C(C)C)n2c1 96156816 ZENOYESINZJDFU-OAQYLSRUSA-N 441.624 2.278 0 40 IEAB Cc1ncc(S(=O)(=O)N2CCN(C(=O)C3[C@H]4CCCC[C@H]34)CC2)c(-c2ccccn2)n1 100212892 QRTIAKKMJHCLDY-IRXDYDNUSA-N 441.557 2.116 0 40 IEAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O 101112428 QEZBEOOFSRNPCR-WDYCEAGBSA-N 449.548 2.420 0 40 IEAB O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NC[C@H](O)c2ccccc2)CC1 101452556 OMIGSRCFCUJLRD-BWAGFHJFSA-N 437.540 2.189 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N(C)Cc1nc(-c3cccs3)no1)O2 219400994 XZUCECFWUQLJAZ-HNNXBMFYSA-N 448.526 2.292 0 40 IEAB CNS(=O)(=O)c1cccc2c1CCN(C(=O)C1(c3cccc(F)c3)CCOCC1)C2 552713843 UKOQJUWBYVTFKL-UHFFFAOYSA-N 432.517 2.367 0 40 IEAB CN1c2ccccc2N(C2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)S1(=O)=O 575414118 FOLPSXZPTHCVNI-UHFFFAOYSA-N 427.486 2.476 0 40 IEAB CCCn1nccc1C(=O)N1CCO[C@](COc2ccc(Cl)c(C)c2)(CC(N)=O)C1 585287513 YKBHRSQPZXUNOA-OAQYLSRUSA-N 434.924 2.421 0 40 IEAB CN(C)[C@@H]1C[C@@H](C(N)=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)[C@H]1c1ccccc1 618016941 WQNUDNJVTLPMOZ-GPXNEJASSA-N 435.572 2.456 0 40 IEAB CCn1nncc1CNC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1680456553 ZIUWGYHDCDIZHE-UHFFFAOYSA-N 432.481 2.237 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(C)cc1 628947 PLIWXMXWUGNHBS-XQJRBFNUSA-N 448.500 2.445 0 40 IEAB Cc1cc(C)c(NC(=O)CNC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c(C)c1 8623799 FEKSISURXCLHOQ-VWLOTQADSA-N 448.523 2.450 0 40 IEAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2ccc3c(c2)OCCO3)c(=O)[nH]c1=O 9126041 LVETVSNJQZZXLC-UHFFFAOYSA-N 440.456 2.130 0 40 IEAB C[C@H](NC(=O)Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)c1cc2ccccc2o1 9798118 ITFYCGQXSNUKIL-HNNXBMFYSA-N 429.498 2.256 0 40 IEAB Cc1c([C@@H]2C[C@@H](C(=O)Nc3c(Cl)cccc3Cl)N(C)S(=O)(=O)N2)cnn1C 12130859 IHSHKDBZMIFZKA-KBPBESRZSA-N 432.333 2.254 0 40 IEAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)COC[C@@H]2CCCO2)C[C@@H](C)O1 12240782 ANGNOGMICNTHIG-VXNCWWDNSA-N 432.565 2.416 0 40 IEAB CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccccc2Br)c1 12536087 VRKMTTLQEXJOLZ-UHFFFAOYSA-N 435.321 2.206 0 40 IEAB COc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1NS(C)(=O)=O 12553337 UBNDQCLSOCRJHI-GOSISDBHSA-N 433.486 2.437 0 40 IEAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12914438 VWKDRPSIEYRBOW-SNVBAGLBSA-N 437.827 2.463 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2ncc3ccccc3c2=O)c1 13021466 AHRPTAHWAKSBLD-UHFFFAOYSA-N 444.513 2.074 0 40 IEAB Cc1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1 13501943 UFVQARJMEKPWLN-QGZVFWFLSA-N 430.530 2.499 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 14233027 KWPSOMIBYTUBIE-OSPHWJPCSA-N 435.480 2.068 0 40 IEAB CCN1CCN(C(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)CC1 14412045 XSFTUGJFXGPHAC-UHFFFAOYSA-N 447.557 2.063 0 40 IEAB CCCc1nc2c3ccccc3n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)n2n1 15823759 XPNITKJLYWZZDO-UHFFFAOYSA-N 448.502 2.485 0 40 IEAB CCN1CCN(c2ccc(NC(=O)CCNS(=O)(=O)c3ccccc3)cc2C)CC1 16299895 GSCOKKYVHXBTAY-UHFFFAOYSA-N 430.574 2.444 0 40 IEAB Cn1cc(CN2CCC[C@@H](c3nc4c(c(=O)[nH]3)CN(C(=O)c3cccs3)CC4)C2)cn1 19290683 UEPCTNKWLSYJKH-MRXNPFEDSA-N 438.557 2.143 0 40 IEAB O=C(c1cccs1)N1CCc2c(nc([C@H]3CCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19400035 AYLGRXAPZXESHX-QGZVFWFLSA-N 435.509 2.402 0 40 IEAB COc1ccc(F)c(CN2CCN(S(=O)(=O)c3c[nH]nc3-c3ccncc3)CC2)c1 19551601 DRBOEPWHNPDHHP-UHFFFAOYSA-N 431.493 2.126 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)c1 19694215 SKOOZXQKARLAHR-QGZVFWFLSA-N 448.527 2.332 0 40 IEAB CNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2cnc(N(C)C)nc2)CCO1 19696800 QWPFARQNLQQGBP-OAHLLOKOSA-N 425.514 2.331 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)CC[C@H](C)N1CCCC1)C2 19710920 WMZUYTCFPAIRFX-KRWDZBQOSA-N 442.608 2.393 0 40 IEAB CN1CCN(C(=O)Cn2cc(C(=O)NC3CCCCC3)ccc2=O)[C@@H](c2ccccc2)C1 19751662 GKTXRDPYZNLANA-JOCHJYFZSA-N 436.556 2.426 0 40 IEAB COc1ccc(CCN2C[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1OC 20739539 SMQPFCRQYXYDKM-LJQANCHMSA-N 449.511 2.373 0 40 IEAB Cc1ccc(-c2nnc(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)n2C)cc1 23817381 XYGZPDISLJTLBU-UHFFFAOYSA-N 428.518 2.169 0 40 IEAB COCc1c(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)sc2cccc(F)c12 23864979 LFRKCGSSUSLFIN-CYBMUJFWSA-N 426.535 2.132 0 40 IEAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 23931669 OFGRULRFSQYBMR-UHFFFAOYSA-N 433.915 2.353 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCCN2C(=O)c3ccccc3C2=O)C1=O 23947152 GGANFPXJMQTZAW-XMMPIXPASA-N 448.479 2.037 0 40 IEAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCN1CCOCC1)c1cccs1 25500224 MEFCJZWXRAQVRS-HXUWFJFHSA-N 440.569 2.409 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)o1 31553404 MUAQULIWGNPYBR-UHFFFAOYSA-N 434.514 2.216 0 40 IEAB CS(=O)(=O)N1CCN(C(=O)Cn2ccc3ccc(OCc4ccccc4)cc32)CC1 36366995 NHMLLMOEISNSEP-UHFFFAOYSA-N 427.526 2.324 0 40 IEAB O=C(NCCc1cccc2cccnc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 39540053 RNGOZKXRFDXXPR-UHFFFAOYSA-N 425.510 2.228 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3n[nH]c(-c4ccccn4)n3)CC2)c1 48288933 IFTAOABEYDUYLP-UHFFFAOYSA-N 436.472 2.375 0 40 IEAB O=S(=O)(NC1CCN(CCCc2nnnn2-c2ccccc2)CC1)c1cccs1 48301588 KORBFZJYFRHHIZ-UHFFFAOYSA-N 432.575 2.099 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccnc3-n3cccn3)CC2)s1 48339759 BXFBCMNDLNWLPO-UHFFFAOYSA-N 432.531 2.176 0 40 IEAB CCOc1ccc(C[C@H](CNS(=O)(=O)c2cccc(Br)c2)C(N)=O)cc1 48374862 KROJQXAJOHQMFU-CQSZACIVSA-N 441.347 2.470 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccc3OC)CC2)NC(=O)N[C@@H]1c1ccccc1 57414253 BZBJAFXIUGNIEQ-JOCHJYFZSA-N 436.512 2.298 0 40 IEAB COc1cc(NC(=O)CN2C(=O)[C@H](C(C)C)NC(=O)c3ccccc32)cc(OC)c1OC 79194252 KYQSHYMQDINVPO-FQEVSTJZSA-N 441.484 2.452 0 40 IEAB biogenic COCCCCNC(=O)C[C@]1(C(=O)NCCCCOC)CCN(C(=O)OC(C)(C)C)C1 84200012 DYXMMWKHSVMGSQ-JOCHJYFZSA-N 443.585 2.089 0 40 IEAB Cc1ncc(CN2CCN(CCO)CC2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc12 95478771 UVHCKSZDTLSNHB-UHFFFAOYSA-N 437.496 2.248 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@]3(C)C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 100430785 FBXMFZTWOZKAKG-NDPZIEMXSA-N 443.588 2.443 0 40 IEAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCC(c3nnsc3S(C)(=O)=O)CC1)CC2=O 100734634 QLSWUJKLFDNFJP-OALUTQOASA-N 425.576 2.433 0 40 IEAB C[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cccc(F)c1)S(C)(=O)=O 224746192 RRAAGSGONBEBIH-QGZVFWFLSA-N 449.548 2.129 0 40 IEAB O=C(COCc1ccccc1)NCCCC[C@@H](NC(=O)COCc1ccccc1)C(=O)O 263583497 BIZAZTPKKVIYSE-OAQYLSRUSA-N 442.512 2.276 0 40 IEAB CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NCCc3ccccc3)c3ccccn23)C1 306141818 WHDICGXPAAGYRI-SFHVURJKSA-N 426.542 2.446 0 40 IEAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)c1 408646943 RMIBEUIGTXKXKY-CQSZACIVSA-N 428.441 2.247 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N(CCCCCC(=O)O)[C@H]2CCS(=O)(=O)C2)cc1C 575424032 RHTOUVDGSLPEGW-KRWDZBQOSA-N 431.576 2.435 0 40 IEAB Cc1cc2cc(NC(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)ccc2n(C)c1=O 1141394507 AMDRKXZJBNDRHP-GHTZIAJQSA-N 437.471 2.129 0 40 IEAB COc1ccccc1CNC(=O)Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2 1547201216 QAWCDEMUJPZSBZ-UHFFFAOYSA-N 427.848 2.012 0 40 IEAB CCN(CCOC)C(=O)C[C@@H]1OC[C@H]2CN(c3ncccc3C(=O)N3CCCC3)CC[C@@H]12 1565553447 ZAZLADXPNANZFZ-SBHAEUEKSA-N 444.576 2.044 0 40 IEAB COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cc(OC)ccc2OC)cc1 1223346 IPBWJXGAFFWYHF-UHFFFAOYSA-N 429.458 2.197 0 40 IEAB COc1ccc2oc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)c2c1 3393525 WYOMPZJDZWNANY-UHFFFAOYSA-N 426.425 2.484 0 40 IEAB CC(C)NC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2cccc(C(=O)O)c2)C1 4236445 GVNFFIZOFMOTOA-WMLDXEAASA-N 438.484 2.336 0 40 IEAB biogenic,in-vitro Cn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21 6088399 IYZYWABSXKNPAM-UHFFFAOYSA-N 430.555 2.199 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccccc1OC 8654032 YTHIOHBSVNKYJY-SQWSFHKJSA-N 435.505 2.202 0 40 IEAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21 9001594 PAPDSVBJGVURQU-UHFFFAOYSA-N 431.452 2.039 0 40 IEAB COc1ccc(OCC(=O)NC[C@@H]2CN(c3cc(OC)c(OC)c(OC)c3)C(=O)O2)cc1 9105139 IPBDWYZWOKFLRF-QGZVFWFLSA-N 446.456 2.241 0 40 IEAB O=C(CSc1ncccc1C(=O)OCC(=O)N1CCCC1)Nc1ccc2c(c1)OCO2 9403657 HCOVFAZWGURVJN-UHFFFAOYSA-N 443.481 2.320 0 40 IEAB COc1ccccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCCO3)C1=O 9605805 QPXZBOKWUBWILF-JOCHJYFZSA-N 425.441 2.262 0 40 IEAB COC(=O)c1ccc(Cn2c(=O)n(Cc3ccc(OC)cc3)c(=O)c3ncccc32)cc1 9660616 GMCRYQJLMWPPJL-UHFFFAOYSA-N 431.448 2.450 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)C2=O 9766587 ULSGIKLFOMDTKV-UHFFFAOYSA-N 448.545 2.007 0 40 IEAB O=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)NC[C@H]1CCCO1 9831314 LLJZHDKRVHAENA-GOSISDBHSA-N 449.486 2.459 0 40 IEAB CCn1cc([C@@H]2C[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)N(C)S(=O)(=O)N2)c(C)n1 12130293 URMGOTOBGGDDIV-HOTGVXAUSA-N 429.905 2.222 0 40 IEAB CC(C)(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)[C@H]4CCCO4)nn3c2O)C1 19081567 XDJPKYLMPUHIQF-QZTJIDSGSA-N 441.532 2.208 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CCn3ccc(C)n3)[nH]c2=O)C1 19501649 RKPQALYEAIGJKG-LJQANCHMSA-N 440.548 2.104 0 40 IEAB CCN1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)CC1 19527840 QQRBGKJXBQDKTC-UHFFFAOYSA-N 435.521 2.194 0 40 IEAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)c2cnccn2)CCO1 19529320 WAYPMHRPTVTGKL-XMMPIXPASA-N 431.496 2.129 0 40 IEAB COc1ccc(-c2cc([C@@H]3CCN(S(=O)(=O)N4CCCC4)C3)nc(N(C)C)n2)cc1 19585119 GJIFRRYSURRAPC-QGZVFWFLSA-N 431.562 2.348 0 40 IEAB Cc1nnsc1C(=O)N1CC[C@H](c2c(C(=O)NCCN(C)C)sc3ncccc23)C1 19702237 BIWVRFRJEBUQHG-ZDUSSCGKSA-N 444.586 2.377 0 40 IEAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCC[C@H]1c1ccc(C(N)=O)c(C)n1 19711162 ZNIXBLUYLYNXLQ-IBGZPJMESA-N 442.541 2.450 0 40 IEAB CN1CCN(C(=O)c2cccn(CC(=O)NCc3ccccc3)c2=O)[C@@H](c2ccccc2)C1 19750148 PKEGYGCJTIYQLM-HSZRJFAPSA-N 444.535 2.294 0 40 IEAB Cc1nn(C)cc1CN1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19759712 RJTPMLHSLYGSEJ-HSZRJFAPSA-N 435.528 2.323 0 40 IEAB COC(=O)c1sc2nc(C)c3c(c2c1NC(=O)CN1CCN(C)CC1)CC(C)(C)OC3 20589923 NVDCWIRUIIYNQY-UHFFFAOYSA-N 446.573 2.429 0 40 IEAB CCN(C(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 33545191 DCJJDKOQSWBMFL-UWZYDCLUSA-N 442.946 2.412 0 40 IEAB O=C(COC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)NCc1ccc(Cl)cc1 58173745 KFKJGJVTQLAPOK-UHFFFAOYSA-N 439.855 2.137 0 40 IEAB O=C(NCCCN1CCCCCC1=O)c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 70019235 ZQXCXKRCBHSUFA-PMACEKPBSA-N 438.528 2.169 0 40 IEAB O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656038 QLOOTXNNJRUSSO-KRWDZBQOSA-N 442.483 2.268 0 40 IEAB CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ccc4ccccc4n3)CC2)s1 79048625 LJTIWSLPIVMELZ-UHFFFAOYSA-N 430.555 2.443 0 40 IEAB COCCn1cnc2ccc(NC(=O)CCCn3cnc4ccccc4c3=O)cc2c1=O 95473985 OPCWOGYRBFWLEH-UHFFFAOYSA-N 433.468 2.172 0 40 IEAB Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCN(CCOc2ccccc2)CC1 95480677 KKNIKKKESOZUET-UHFFFAOYSA-N 440.588 2.273 0 40 IEAB CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4ccccn4)cc32)n1 96156451 SMUFORLSUWKPRY-GOSISDBHSA-N 440.529 2.096 0 40 IEAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219664839 UCHAPGVCKMKDAM-UHFFFAOYSA-N 429.498 2.388 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)CC1 220534205 PZQJGIKPRAYUEM-KRWDZBQOSA-N 425.551 2.149 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1N1C(=O)CCC1=O 224111375 ZXOIKIYEWISMNN-UHFFFAOYSA-N 432.498 2.323 0 40 IEAB Cc1nc(Cc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)[nH]c(=O)c1CC(=O)O 226106376 MWOIXOCEQDMSHL-UHFFFAOYSA-N 441.509 2.262 0 40 IEAB Cc1nc(Nc2cccc([C@H]3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)sc1C 257256631 KMGVAEUVHCDWPC-OAHLLOKOSA-N 434.547 2.394 0 40 IEAB CC1CCN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)CC1 409027576 MAZCRWBIDIAEEL-UHFFFAOYSA-N 436.315 2.316 0 40 IEAB CC[C@@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)[C@H]2C1 585106079 JINFJYXAKGFHCI-HBGVWJBISA-N 429.561 2.403 0 40 IEAB OC1(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCN(c2ccccc2F)CC1 585286893 JWQGOHJVPOCUCJ-DEOSSOPVSA-N 448.510 2.438 0 40 IEAB Cc1cc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2[nH]c1=O 647894648 OOYYTXKCLSLWQU-UHFFFAOYSA-N 429.473 2.122 0 40 IEAB CC(C)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1750904279 GANBLBSLLGYZLR-UHFFFAOYSA-N 449.596 2.363 0 40 IEAB O=C1[C@@H](N2CCC(COc3ncc(Br)cn3)CC2)CCN1CC(F)(F)F 1888843793 RMLQCZPJMDBPTL-ZDUSSCGKSA-N 437.260 2.493 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 914984 OXPZFRMPSZMJMG-UHFFFAOYSA-N 444.509 2.115 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 8965626 KZGPNJRYNIHXDH-JOCHJYFZSA-N 443.525 2.065 0 40 IEAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(Br)cc4)c(C)c(C)n23)n(C)c1=O 8973572 CRWZENXZWZZLMD-UHFFFAOYSA-N 444.289 2.107 0 40 IEAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 9095494 LWWYRMZSEAKDMW-OAQYLSRUSA-N 445.541 2.324 0 40 IEAB CCN(C(=O)CNc1ccc(F)cc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9665866 MXFWGBBWKAHYSH-UHFFFAOYSA-N 445.882 2.425 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 9806582 JZNXKFPZDSBRHS-SFHVURJKSA-N 445.541 2.220 0 40 IEAB O=C(CN1C(=O)COc2ccccc21)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9812539 BCKWVOAFZRMFPX-UHFFFAOYSA-N 449.916 2.489 0 40 IEAB O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCc2ccccn2)cc1 10034875 YIWFOBSDRFUSRD-SFHVURJKSA-N 437.525 2.434 0 40 IEAB COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)n2)c1 10188497 GBMCHXDLTNMPKZ-UHFFFAOYSA-N 434.496 2.276 0 40 IEAB CC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)c(C)n23)n(C)c1=O 10271916 UQBMEUMTHIDYTO-UHFFFAOYSA-N 433.390 2.363 0 40 IEAB NC(=O)c1nc(-c2cc(Br)ccc2O)nc2c1[nH]c(=O)n2-c1ccc(F)cc1 12080835 SDWAMYSRTSRCFR-UHFFFAOYSA-N 444.220 2.482 0 40 IEAB CCCc1cc(C(=O)OC)c(NC(=O)C[C@H]2SC(N3CCOCC3)=NC2=O)s1 12408829 VKKFIOQQOVNUQT-CYBMUJFWSA-N 425.532 2.146 0 40 IEAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12549439 JCUBVOUBMKUTAV-QRVBRYPASA-N 445.585 2.170 0 40 IEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCc2ccc(OC)c(OC)c2)C1=O 12810534 JRLPSYBLSPZHGU-JOCHJYFZSA-N 429.448 2.316 0 40 IEAB COc1ccc(Cl)cc1N1C[C@H](C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)CC1=O 12811186 XSMUIGUQAKVJGK-LXTVHRRPSA-N 438.908 2.269 0 40 IEAB CCN(CC(=O)NCc1cccs1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 13132179 MXYSQEIQJMWEOS-UHFFFAOYSA-N 435.571 2.311 0 40 IEAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc21 15247942 BDUROTNLMJXOEA-KRWDZBQOSA-N 443.525 2.305 0 40 IEAB O=C(CN(Cc1ccccc1F)C(=O)c1csnn1)NCc1ccc2c(c1)OCO2 15936170 NTOXRRPJQNZWCE-UHFFFAOYSA-N 428.445 2.365 0 40 IEAB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCCN21 15957920 KRSYHPAEUURVAM-KHTISZTLSA-N 445.475 2.409 0 40 IEAB biogenic CCOc1cc(CN2CCc3c(O)nc(-c4cccnc4)nc3C2)ccc1OCC(N)=O 19532211 SENASINQYUZXMZ-UHFFFAOYSA-N 435.484 2.065 0 40 IEAB CNC(=O)c1cnc([C@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)C(C)(C)O4)C2)nc1C 19763587 GTTBBSRPOYUPBP-HNNXBMFYSA-N 437.500 2.274 0 40 IEAB C[C@@H](C(=O)N1CCC(c2ccc(C(=O)NCc3ccccc3)c(N)n2)CC1)N1CCCC1=O 19765910 OJICVIFFQXUBNV-KRWDZBQOSA-N 449.555 2.311 0 40 IEAB Cc1cccc2cc(CN(CCN3CCOCC3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c12 19822724 LANVQZWYXUVWRI-FQEVSTJZSA-N 444.601 2.024 0 40 IEAB CCOc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OCC 20038589 SXUUGAWMFZOESZ-WBVHZDCISA-N 427.567 2.180 0 40 IEAB COc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCOCC2)cc1 23107384 HKYKXUWONFEVNA-FQEVSTJZSA-N 431.920 2.155 0 40 IEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 25167637 FTXIAPCCMKFITR-LBPRGKRZSA-N 426.907 2.363 0 40 IEAB O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)N1CCN(CC(=O)N2CCOCC2)CC1 32722654 WZRIVOCPPSJJCQ-DAFODLJHSA-N 445.869 2.375 0 40 IEAB C[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccc2c(c1)OCCO2 32726758 PTDVZIPSBKKOHB-MRXNPFEDSA-N 446.500 2.137 0 40 IEAB O=C(CN1CCN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)CC1)N1CCOCC1 35308026 YZZHHIQISFBOIT-UHFFFAOYSA-N 446.551 2.311 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@H]3CCCO3)C[C@@H]3CCCO3)cc2c1 57606967 XHHSPHCQVLRSFY-VQTJNVASSA-N 438.532 2.183 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 63386168 YMTMEEOVMZDXJK-MOPGFXCFSA-N 434.945 2.406 0 40 IEAB CC(C)(Oc1ccc2c(c1)CCCC2=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 70004523 MMPRRKOQGFBVFC-UHFFFAOYSA-N 428.529 2.460 0 40 IEAB CC(C)CCNC(=O)Cn1c(=O)ncc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc21 71772596 QNHXTUFHGIXCFQ-MRXNPFEDSA-N 434.562 2.122 0 40 IEAB CC1CCN(Cc2c(O)c(=O)cc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)n2C)CC1 85877053 RRJHGBUWGMKKPK-MOPGFXCFSA-N 438.572 2.104 0 40 IEAB biogenic CCc1nc(-c2ccc(NS(=O)(=O)c3[nH]ncc3C(=O)n3nc(C)cc3C)cc2)no1 98212029 LONNMRABNYVCAD-UHFFFAOYSA-N 441.473 2.325 0 40 IEAB CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 136540285 YGNLDEWVSYNWNH-HBMCJLEFSA-N 436.556 2.361 0 40 IEAB O=C(Cc1cccc(Cl)c1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224494446 NYCYHYQJVFAHCV-UHFFFAOYSA-N 438.933 2.099 0 40 IEAB Cc1n[nH]c(SCCNC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)n1 225978933 BJEZJWPMUQMNCO-UHFFFAOYSA-N 445.570 2.389 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCSCC2)cc1 245053526 OYFQORLFHNPEEI-QGZVFWFLSA-N 449.554 2.001 0 40 IEAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3cccc(Cl)c3)C2)cs1 306123367 ALFXJEOIJNIDMF-OAQYLSRUSA-N 443.960 2.419 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(CC)CC2)Cc2ccccc2)cc1 408636672 SMZMVOVNINURCK-UHFFFAOYSA-N 445.585 2.440 0 40 IEAB Nc1nc(SCC(=O)NCc2ccc(F)cc2)[nH]c(=O)c1NC(=O)c1cccs1 2712463 PBKVGJOXDGMVMP-UHFFFAOYSA-N 433.490 2.214 0 40 IEAB Cc1ccc2ccccc2c1CSc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 4723121 NSYRTUCJWAVRER-ZBPHCFQXSA-N 438.509 2.192 0 40 IEAB Nn1c(Cc2ccccc2F)nnc1SCC(=O)Nc1ccccc1C(=O)NC1CC1 8719432 PARPQEGKNSMGPH-UHFFFAOYSA-N 440.504 2.345 0 40 IEAB Cc1nnc(SCC(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)s1 9515787 TXXVCACZKSXARU-UHFFFAOYSA-N 439.522 2.465 0 40 IEAB CCCNC(=O)[C@@H]1CN(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2ccccc2O1 9814915 COCPPGPVDAGFKM-KRWDZBQOSA-N 440.525 2.395 0 40 IEAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5cccc(C)c5)CC4)ncnc32)c1 9850670 CBAGFGWDJIZOCW-UHFFFAOYSA-N 429.484 2.490 0 40 IEAB Cc1nn(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2c1cnn2-c1ccc(F)cc1 12228367 WAXRSFRKWMCFDY-UHFFFAOYSA-N 435.415 2.075 0 40 IEAB O=C(c1cn2cc(Cl)ccc2n1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12323820 BYXQVWXSWNARSG-SFHVURJKSA-N 426.860 2.112 0 40 IEAB Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(=O)c2ccccc12 12761653 MHBSXLYFZJBZST-UHFFFAOYSA-N 426.498 2.128 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 12871090 GZXXJQJYNGENQH-CYBMUJFWSA-N 434.514 2.353 0 40 IEAB O=C(N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 13543937 KHUKLOTWIPDCJZ-PMACEKPBSA-N 436.468 2.059 0 40 IEAB in-vitro O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 13848579 FTDSPZGBEUVAQG-UHFFFAOYSA-N 438.557 2.391 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccccc1 16682446 UWRUZLRFVUKCSY-XMJIKXADSA-N 437.521 2.457 0 40 IEAB CCOC(=O)c1ccc(-n2c(=O)[nH]c(O)c([C@H]3NCCc4c3[nH]c3ccccc43)c2=O)cc1 16977555 WQMWDRSNVHNKGO-HXUWFJFHSA-N 446.463 2.125 0 40 IEAB biogenic CCn1cc(CCC(=O)N2CCC[C@H](C3=Nc4ccccc4S(=O)(=O)N3)C2)c(C)n1 19524476 XGGHBBPOKYSSLB-KRWDZBQOSA-N 429.546 2.405 0 40 IEAB Cc1nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1 19741437 YUYWOBBKKYNQFF-SFHVURJKSA-N 443.573 2.250 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(F)cc1 20674752 YLXNIKMINVGLMS-PMACEKPBSA-N 442.466 2.493 0 40 IEAB O=C(CCCn1cnc2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 21973039 CPNWLHGFJDOPQO-UHFFFAOYSA-N 432.524 2.456 0 40 IEAB COc1ccccc1OCC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134321 PNLRDYRGEPLELZ-UHFFFAOYSA-N 442.907 2.048 0 40 IEAB O=C1CC2(CCCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 23718060 FJGXKXBZTBVDHZ-UHFFFAOYSA-N 445.585 2.149 0 40 IEAB CCOC(=O)CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2C(C)(C)[C@H]31 32598155 MFASYSIHSLHQSR-XMLKLZHTSA-N 436.555 2.009 0 40 IEAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 32814199 UITDNKJYGLZFDY-IBGZPJMESA-N 447.513 2.088 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 32845511 NGFMXHCKZVNMFE-FQEVSTJZSA-N 444.557 2.366 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(OCC(N)=O)ccc4ccccc34)C2=O)o1 33914854 OGRSWTOGAUBOEG-YVLHZVERSA-N 449.419 2.176 0 40 IEAB COc1ccccc1N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 36332935 MRTWNADNVKJGNA-UHFFFAOYSA-N 428.558 2.495 0 40 IEAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCS(=O)(=O)N1CCc2ccccc21 40092747 UAPAZEWPQNJPTP-HXUWFJFHSA-N 444.557 2.341 0 40 IEAB COc1ccc(NC(=O)C(=O)NCc2cccc(F)c2)cc1N1CCCCS1(=O)=O 40287014 PJAXQNPHDPQLSQ-UHFFFAOYSA-N 435.477 2.019 0 40 IEAB CC[C@@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(OC)c(OC)c1 44856882 KDLUBAUWZREAGI-FOIQADDNSA-N 434.514 2.498 0 40 IEAB O=C(CN1CCN(c2ccc(F)cc2)CC1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 58173875 VOVHBVCXCSCYML-QFIPXVFZSA-N 445.560 2.164 0 40 IEAB Cc1cc(NC(=O)CN2CCN(c3ncccc3C(=O)N3CCc4ccccc43)CC2)no1 72268465 GGNDPXBMYWUQPI-UHFFFAOYSA-N 446.511 2.342 0 40 IEAB C[C@H]1C[C@@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CN1Cc1ccccc1 79100059 QELNPCHHPKVLMX-SIKLNZKXSA-N 429.586 2.460 0 40 IEAB COC(=O)COc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)OC)cc1OC 79193427 CHZQNUDYMAFKJG-RXVVDRJESA-N 440.404 2.419 0 40 IEAB biogenic CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)O 79670338 FPFOYSCDUWTZBF-YSIASYRMSA-N 430.549 2.184 0 40 IEAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H](C)Sc1nncn1C 84791121 RWDKDMZUCXGODW-ZDUSSCGKSA-N 440.595 2.397 0 40 IEAB COc1ccc(CN(C)C(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1OC 216330568 IIXDPQSLRKDKOI-UHFFFAOYSA-N 439.509 2.114 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1 216357699 QTPNMOYBUGKBQR-INIZCTEOSA-N 428.514 2.352 0 40 IEAB CCOC(=O)C1CCN(C(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)CC1 222580731 QONRDUGLBBFQSH-UHFFFAOYSA-N 426.535 2.043 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223520219 KLFMHGBUGQPDFZ-MRXNPFEDSA-N 435.521 2.145 0 40 IEAB COc1ccc(OCCNC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)cc1 225158181 QILPZQLEKABKOP-UHFFFAOYSA-N 426.922 2.305 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC(N)=O)cc3)CC2)c1 225924745 BIHSINDLTZWURE-UHFFFAOYSA-N 429.542 2.371 0 40 IEAB Cc1n[nH]c(SCCNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)n1 225996329 VMUQYHAJFOCSNX-UHFFFAOYSA-N 445.570 2.213 0 40 IEAB CCn1c(CCCC(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)nc2ccccc21 257200453 ADKIAYCUPVHKLJ-LAUBAEHRSA-N 432.528 2.484 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)CC1 508048452 YFDSDJKRAURUBG-QGZVFWFLSA-N 432.550 2.132 0 40 IEAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CC1 2952171 FRXJMIIFSPMTJN-UHFFFAOYSA-N 426.904 2.391 0 40 IEAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCN(c2nnnn2-c2ccccc2)CC1 9126073 UEESLDIMPWIFLE-UHFFFAOYSA-N 439.328 2.480 0 40 IEAB Cc1[nH]c2ccc(C(=O)OCC(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)cc2c1C 9465754 YGDXUODZUZRXMT-HSZRJFAPSA-N 434.452 2.440 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(c2ncccn2)CC1 9508212 NVRBGFGYLOKLLC-UHFFFAOYSA-N 429.546 2.004 0 40 IEAB C[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1 9671610 NJWJOFBSBPVFSV-INIZCTEOSA-N 435.571 2.239 0 40 IEAB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(N2CCCC2=O)cc1 9716339 XCHQEPGTTTUAMG-UHFFFAOYSA-N 436.512 2.361 0 40 IEAB COc1cc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc(OC)c1OC 9853636 XNCMRKIWQLUQKX-UHFFFAOYSA-N 440.543 2.357 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)c2cc(Br)ccc2-n2cnnn2)n1 12390294 ZRRIMBOHXSVZBD-UHFFFAOYSA-N 437.279 2.239 0 40 IEAB Cc1ccc(NC(=O)Cc2nc(-c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cs2)cc1 12797895 PVKBJYJXJXOSMP-UHFFFAOYSA-N 427.530 2.398 0 40 IEAB COc1ccc(Cl)cc1N1C[C@H](C(=O)O[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)CC1=O 12811172 XSMUIGUQAKVJGK-LJISPDSOSA-N 438.908 2.269 0 40 IEAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 12849913 ZBKZMMGJWXAFNL-UHFFFAOYSA-N 436.917 2.187 0 40 IEAB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(Br)cc1F 13146286 HRYWUDJEOGGZFB-VXGBXAGGSA-N 441.253 2.245 0 40 IEAB Cc1ccccc1Cn1ccc(NC(=O)C2=CC(c3ccco3)=NS(=O)(=O)N2C)n1 15673653 ZCBVHJXWVMNNKK-UHFFFAOYSA-N 425.470 2.335 0 40 IEAB CC(C)NC(=O)[C@H]1CN(Cc2cccc(F)c2F)C[C@@H]1c1ccnc(N2CCOCC2)n1 19450170 ZVMBEDLESJLKKS-ROUUACIJSA-N 445.514 2.332 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2c(C(=O)NC(C)C)sc3ncccc23)C1 19703082 UOVVMCXKUUYFFX-OAHLLOKOSA-N 440.591 2.394 0 40 IEAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN4C(=O)Cn4cccn4)nc32)c1 19744168 FMKGLTKNQZSDIV-FQEVSTJZSA-N 446.511 2.443 0 40 IEAB O=C(Cn1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1=O)NCc1ccc(F)cc1 19750806 FPZXAYGYHVCASI-UHFFFAOYSA-N 440.519 2.004 0 40 IEAB O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 19819492 LFKAIQRZDHWZCP-UHFFFAOYSA-N 439.493 2.024 0 40 IEAB Cc1cc(S(=O)(=O)Nc2cc3c(cc2N2CCCC2)n(C)c(=O)c(=O)n3C)ccc1F 20991631 GMLCMQWEVKWZJN-UHFFFAOYSA-N 446.504 2.086 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC(N)=O)cc3)CC2)cc1 24486883 DNWLWNGJJOBWOV-UHFFFAOYSA-N 445.541 2.153 0 40 IEAB O=C(CCN1CCN(Cc2ccc(Cl)cc2)CC1)NN1C(=O)NC2(CCCCC2)C1=O 24880389 BNSUOQQKLZQWRN-UHFFFAOYSA-N 447.967 2.134 0 40 IEAB O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCCN1CCc2ccccc2C1 30362612 UEMZJBIJUBVPCC-UHFFFAOYSA-N 433.599 2.250 0 40 IEAB CC(=O)c1ccc(OC[C@H](O)CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1 32721083 RTEGEPYKKLPSOV-OAQYLSRUSA-N 429.492 2.024 0 40 IEAB CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2SC)c1=O 32739552 ITECDGFJBPAJRS-UHFFFAOYSA-N 431.562 2.353 0 40 IEAB CCCCn1nnnc1COC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 32741718 GMAMFWSXUKNRDR-UHFFFAOYSA-N 435.550 2.234 0 40 IEAB O=C1NCCCC[C@@H]1N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 35287008 UMFVXLSRXJCHQM-HNNXBMFYSA-N 439.887 2.334 0 40 IEAB COc1cccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)c1 38752356 YHIBIEYZSSTKQK-UHFFFAOYSA-N 428.514 2.272 0 40 IEAB CCc1c(C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)cnn1-c1ccc(OC)nn1 48252022 QVTDLOXGJSZBPN-UHFFFAOYSA-N 432.488 2.361 0 40 IEAB COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2C(=O)c2nccn2C)nc1C 72345386 GRYZFJRCECXMNF-GOSISDBHSA-N 434.500 2.434 0 40 IEAB CN1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)[C@H](CNC(=O)OC(C)(C)C)C1 79074202 OMMWXTGNNMPMSE-MOPGFXCFSA-N 446.548 2.085 0 40 IEAB CCOc1cc(C(=O)N2CCC[C@@H](c3nnn[nH]3)C2)ccc1OCC(=O)N1CCCCC1 95432800 AOWALTSXYGDRKD-QGZVFWFLSA-N 442.520 2.010 0 40 IEAB COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)nc2ccc(C)cn2c1=O 96115706 CKSGDAYYIXCDKK-OAHLLOKOSA-N 435.436 2.254 0 40 IEAB biogenic CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4cccs4)cn23)CC1 96156010 XQUWPYSLZWWGJK-UHFFFAOYSA-N 439.585 2.184 0 40 IEAB CCN1C[C@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(c4nc(C)c(C(C)=O)s4)CC2)[C@@H]3C1=O 100186189 DJQWXXVMMUMIOI-SVQXRNPESA-N 429.542 2.162 0 40 IEAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(OC)c(OC)c4)[C@@H]3C2=O)cc1 101166038 GJYGAUGKTYFJKR-PMACEKPBSA-N 437.456 2.198 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222600920 BDFIREXRWGHCRL-KRWDZBQOSA-N 449.548 2.372 0 40 IEAB CCOc1ccccc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 222667665 PFEJVAUCIDSJFD-HNNXBMFYSA-N 434.514 2.500 0 40 IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2c(OC)cccc2OC)c(C)c1 222789075 SHPHJMQEFFNTME-UHFFFAOYSA-N 436.530 2.396 0 40 IEAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCSC3CCCC3)cc2)CC1 222877493 VDMKJPQCDWSSJR-UHFFFAOYSA-N 425.620 2.169 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223651321 QOVOXRKGWLKZDS-SFHVURJKSA-N 431.558 2.314 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(S(C)(=O)=O)cc1 223893579 KVHAPXFNRVQSPV-CQSZACIVSA-N 448.566 2.429 0 40 IEAB COc1cccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccccc3)n2)c1 224161597 LYKKYNBMDBWKPQ-UHFFFAOYSA-N 430.486 2.024 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 245230725 XPWQOLVPEJXEGD-AYNNDYFXSA-N 429.561 2.053 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC[C@@H]3CCCC[C@H]3C2)C1=O 245263993 BXHQHIHLEYCRGC-PBPSECFOSA-N 427.501 2.264 0 40 IEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 245284659 SYDGQILIZDTECC-BRWVUGGUSA-N 427.501 2.099 0 40 IEAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)OC)c(OC)c2)C1=O 409200767 JFNPHNCAZZQDLC-YBEGLDIGSA-N 436.486 2.200 0 40 IEAB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)c(Br)cc1OCC(=O)OC 409229116 JZBHVUOGZVDULB-WUXMJOGZSA-N 427.251 2.312 0 40 IEAB CN(CCOc1ccc(Br)cc1)C(=O)CN1CCC(Cn2ccnn2)CC1 510731751 GXOXIFHVPCCKDJ-UHFFFAOYSA-N 436.354 2.290 0 40 IEAB COc1cc(CN(C)C[C@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OCCN(C)C 585274626 YUNUPMANZYGULT-HSZRJFAPSA-N 432.540 2.243 0 40 IEAB CS(=O)(=O)c1ccc(-c2nnn(CC(=O)Nc3ccc(Br)cc3)n2)cc1 1078456 FGSDCUDQNQQKKJ-UHFFFAOYSA-N 436.291 2.145 0 40 IEAB COc1ccc(OC)c(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)c1 1451325 WAXWUJVGSXPUGF-WQRHYEAKSA-N 441.896 2.320 0 40 IEAB COCCNS(=O)(=O)c1ccc(OC)c(-c2nnc3c4ccccc4c(C)nn23)c1 2448861 RRDMHJLEUSZGHZ-UHFFFAOYSA-N 427.486 2.186 0 40 IEAB COc1ccc(C(OC[C@H](O)CN2CCC(C(N)=O)CC2)c2ccc(OC)cc2)cc1 3422554 STEMWCURQRXHIP-HXUWFJFHSA-N 428.529 2.368 0 40 IEAB O=C(O)C1CCC(CNC(=O)[C@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1 8791283 KCHRTDQGIZBUNV-NGICGMGXSA-N 449.507 2.481 0 40 IEAB biogenic CCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)c1ccccc1F)c(=O)n2Cc1ccccc1 9983219 CZTYRVSALZUUQD-INIZCTEOSA-N 449.486 2.444 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@H](c2ccc(OC)cc2OC)n2nnnc2N1 10232068 BOKFXABPTXKIQP-SFHVURJKSA-N 439.403 2.154 0 40 IEAB C[C@@H](OC(=O)c1sccc1S(=O)(=O)NC1CC1)C(=O)Nc1ccc2c(c1)OCO2 10563953 PPXPMWUYAKHDJQ-SNVBAGLBSA-N 438.483 2.102 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cc1 12937957 LHCODTVGPCWAML-HNNXBMFYSA-N 432.498 2.436 0 40 IEAB CN(CC(=O)Nc1ccccc1Br)C(=O)CNC(=O)c1ccc2c(c1)OCO2 13005055 FCFBTXQULCKLSW-UHFFFAOYSA-N 448.273 2.005 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 13040501 DYHNKFIVPMLGEZ-JOCHJYFZSA-N 427.570 2.495 0 40 IEAB COc1cccc(-n2c(=O)n(CC(=O)c3ccc(C)cc3)c3c(C(N)=O)nc(C)nc32)c1 13226977 YXUICYMHNRVNRC-UHFFFAOYSA-N 431.452 2.189 0 40 IEAB COc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1 16635357 HULGBHQTFVLHKD-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB CCn1c2c(=O)n(C)c(=O)n(C)c2n2c(-c3ccc(OCc4ccccc4)cc3)nnc12 16838095 LAVBPGJPGOHFRS-UHFFFAOYSA-N 430.468 2.347 0 40 IEAB O=C(NCCN1C(=O)CSC1=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 19405654 ZHWIGFDIMAPVAS-UHFFFAOYSA-N 432.527 2.072 0 40 IEAB COC(=O)c1ccc(C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 19592524 GSYOBTWLDIGNPT-LJQANCHMSA-N 429.498 2.056 0 40 IEAB CNc1nc([C@H]2CCCN2CC(=O)Nc2ccc(OC)cc2)nc2c1CCN(C(C)=O)C2 19708604 OLCKHAUNDZKSFM-HXUWFJFHSA-N 438.532 2.207 0 40 IEAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)CN1CCC(C)CC1)CC2 19710378 ZWWOOZXLAIMXFM-HXUWFJFHSA-N 428.581 2.208 0 40 IEAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(CN3CCOCC3)cc2)ncc1C(=O)N(C)C 19756007 XMUIOZCIQHAMEA-NRFANRHFSA-N 437.544 2.296 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2=O)cc1 19928775 VSUAXJQRJKSTJA-SFHVURJKSA-N 437.496 2.121 0 40 IEAB CCN(c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1)S(=O)(=O)c1ccccc1 19937930 DOUBSDOLJSBCDP-UHFFFAOYSA-N 445.541 2.005 0 40 IEAB CCN(CC)CCn1c(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)nc2ccccc21 25391663 FATJGJMVWKGCES-IAGOWNOFSA-N 425.533 2.492 0 40 IEAB COC(=O)c1c(NC(=O)c2nn(C)c3c2Cc2cc(OC)c(OC)cc2-3)c(C)nn1C 32106525 OUQPWCQGNYVTQC-UHFFFAOYSA-N 425.445 2.089 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)c1csc(-c2ccsc2)n1)C(=O)NCCN1CCOCC1 32925718 CFRXXGJIYVFGRL-PBHICJAKSA-N 436.603 2.465 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2)CC1 35681143 ZQOSPMNIHBKHQP-KPKJPENVSA-N 444.582 2.149 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1ccc2c(c1)OCO2 36594770 SUBBBFBYXBEEFD-RDTXWAMCSA-N 432.502 2.090 0 40 IEAB biogenic O=C(CCc1nc(Cc2ccccc2)no1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 40129732 DMYQEFHXUCPMIQ-KRWDZBQOSA-N 429.498 2.402 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1nc2c(Oc3ccc(C)cc3)nccn2c1=O 49008305 KFNIOJLJEWEVSR-UHFFFAOYSA-N 433.424 2.417 0 40 IEAB COc1cc(C[C@]2(c3ccc(Br)cc3)NC(N)=NC2=O)cc(OC)c1OC 71975067 VESBDZOINVILDB-LJQANCHMSA-N 434.290 2.357 0 40 IEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 72296798 AVOXALIOYHXVNU-OAGGEKHMSA-N 448.589 2.196 0 40 IEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCCN2CC(=O)N2CCC2)cc1 72345666 AZELPFYGJVHREC-OAQYLSRUSA-N 437.544 2.483 0 40 IEAB COc1ccc(-c2cc(C(=O)NCc3ccncc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 72405317 NSENBAJYJZSTQM-QGZVFWFLSA-N 426.498 2.243 0 40 IEAB COc1ccc(CN2CCN(C(=O)COc3ccc(C=O)cc3)CC2)c(OC)c1OC 78737221 GAWDHGDEAPYDFF-UHFFFAOYSA-N 428.485 2.248 0 40 IEAB Cc1ccc(NC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)s1 79017809 LMBKSNNZMAARPX-UHFFFAOYSA-N 444.579 2.155 0 40 IEAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)NC[C@H]2CSCCS2)c1 79060846 XBNUJBWDFBCSBL-IHVVCDCBSA-N 433.573 2.017 0 40 IEAB Cc1ccc(-c2noc(CNC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 222736864 PZCRWYFKOJUXMG-UHFFFAOYSA-N 430.486 2.136 0 40 IEAB CCN(c1ccc(C(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)c1ccccc1 224365904 WVCJZWDQJUJWIR-UHFFFAOYSA-N 431.558 2.354 0 40 IEAB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224828914 HVGLORIKIOFCSB-UHFFFAOYSA-N 437.470 2.233 0 40 IEAB O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 225264381 PNYMFVOUVIMROR-GOSISDBHSA-N 448.516 2.324 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225421394 JRQDXLPDZUKZCB-QGZVFWFLSA-N 449.548 2.372 0 40 IEAB CC1=NS(=O)(=O)c2cc(C(=O)NCCSc3nc(C)n[nH]3)ccc2N1CC(C)C 225867322 YMJABKQXCFSEJE-UHFFFAOYSA-N 436.563 2.218 0 40 IEAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)N2CCC(N3CCOCC3)CC2)Oc2ccccc21 247959196 PIUZUXOCHPMGSP-GQKWOBABSA-N 439.556 2.265 0 40 IEAB CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248204437 AEIZHXWFYSWLLE-SMOZNVCYSA-N 437.471 2.295 0 40 IEAB Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@H](C)O)CC2=O)cc1 408614611 FFBPHVZGIGKQIE-ZWKOTPCHSA-N 439.512 2.171 0 40 IEAB CC(=O)Nc1cccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 408704775 SRTXNXKJNZSKSR-ZDUSSCGKSA-N 433.486 2.209 0 40 IEAB COC(C)(C)C(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OC[C@H](C)NC(=O)C1 643559172 PAPIBPTXPYYKMP-AWEZNQCLSA-N 439.940 2.001 0 40 IEAB CC(C)N1CC(=O)NCCCCCOc2ccc(CCC(=O)N3CCC(O)CC3)cc2C1 643575127 GMFSUVZPDKSPLL-UHFFFAOYSA-N 445.604 2.492 0 40 IEAB O=C(c1cnc[nH]1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575663 YAVSZRQMSDHKEF-UHFFFAOYSA-N 426.517 2.330 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)N(Cc1ccco1)C[C@@H]1CCCO1 1160502566 LKQJEKRLAORRNI-FQEVSTJZSA-N 448.541 2.246 0 40 IEAB COc1ccc([C@@H](CC(=O)NCC(C)(C)N2CCOCC2)c2oc(C)cc(=O)c2O)cc1 1547139556 STSMASCMHHWKRO-LJQANCHMSA-N 444.528 2.411 0 40 IEAB biogenic Cn1nccc1CN1CCC[C@@]2(CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 2056223467 NBNOIEYLJUBUFX-JOCHJYFZSA-N 446.573 2.258 0 40 IEAB O=C(CSc1nnc(CNc2ccc(F)cc2)n1C[C@@H]1CCCO1)N1CCOCC1 899930 RDTSCJUGUJIOEY-KRWDZBQOSA-N 435.525 2.159 0 40 IEAB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCSc1nc2ccccc2o1 6530665 WFHJNKKVOAVMGK-UHFFFAOYSA-N 426.502 2.347 0 40 IEAB C[C@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)NCC1CCCCC1 7219960 JFULHIGLKYIQPO-HNNXBMFYSA-N 427.592 2.280 0 40 IEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(=O)Nc2cccc(C)c2C)C1=O 8891720 DVJLJRFBMRNWKW-QHCPKHFHSA-N 440.475 2.355 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)cc1 8971803 CBPOOYULSIEABU-FEELKSARSA-N 441.459 2.147 0 40 IEAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O 9452390 UXWDLUDEVQAADP-AWEZNQCLSA-N 430.482 2.141 0 40 IEAB Cc1cc(C)n2c(CNC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)nnc2n1 9592861 JGFPSJORAATWOS-UHFFFAOYSA-N 439.479 2.429 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)NCc2ccccc2C)c1 9807482 OBHWEWVFLLBJOB-FQEVSTJZSA-N 443.569 2.198 0 40 IEAB COC(=O)c1ccc(CNC(=O)COC(=O)c2ccc(OCc3noc(C)n3)cc2)cc1 11262732 HBMAJIUAFNHEGX-UHFFFAOYSA-N 439.424 2.217 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nccc(=O)[nH]2)c1 12311775 UBEMUCCKNWMYMC-UHFFFAOYSA-N 430.511 2.326 0 40 IEAB COc1ccc(CCNC2=CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC 12323989 OPAKWQBNXIOTKC-UHFFFAOYSA-N 440.496 2.349 0 40 IEAB CC(=O)c1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 13030366 HYFQDRAESNCCEV-UHFFFAOYSA-N 437.468 2.112 0 40 IEAB O=C(CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccc(N2CCCC2=O)cc1 14141957 PPKDPIPYMYEVOZ-ZDUSSCGKSA-N 435.527 2.149 0 40 IEAB CC(C)[C@@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc2c(c1)OCCO2 15027289 FPJGLLZUTOEWEK-OAQYLSRUSA-N 443.525 2.400 0 40 IEAB CCOC(=O)C1=C(CN2CCN(c3ccccc3OC)CC2)NC(=O)N[C@@H]1c1ccco1 15375906 VMVVARVXNXSZFV-OAQYLSRUSA-N 440.500 2.282 0 40 IEAB COc1ccc(-n2[nH]c3[nH]c(CSc4nnnn4-c4ccccc4)cc(=O)c3c2=O)cc1 19645870 RMDSTHNWCDGVRM-UHFFFAOYSA-N 447.480 2.284 0 40 IEAB CNc1nc([C@H]2CCCN2C(=O)COc2ccc(F)cc2)nc2c1CN(C(C)=O)CC2 19710887 XUADSVNJWNHUJO-LJQANCHMSA-N 427.480 2.305 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1NS(C)(=O)=O 19932508 RTFUCWBPLHSIOL-UHFFFAOYSA-N 437.587 2.181 0 40 IEAB NC(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 20050270 LIIVDEGFYZUFII-LJQANCHMSA-N 429.542 2.399 0 40 IEAB Cc1nc2sc3c(c2c2nc(C(=O)NCCCN4CCOCC4)nn12)C[C@@H](C)CC3 20503854 QSPCRDRJIHEIJM-ZDUSSCGKSA-N 428.562 2.224 0 40 IEAB CCOC(=O)[C@@]1(C(C)=O)Sc2nnc(C)n2N(C(C)=O)[C@@H]1c1ccc(OCC)cc1 27300562 XNBCCCSPLSUMCJ-XLIONFOSSA-N 432.502 2.208 0 40 IEAB CSc1nnnn1-c1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1 31668738 XEEIMHXZQWMGLF-GFCCVEGCSA-N 444.542 2.483 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3cn(C)c4ccccc34)CC2=O)cc1 32106008 CSONBRTZNOOOSG-INIZCTEOSA-N 434.496 2.086 0 40 IEAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(=O)N1CCCCC1 32444767 YBXOXPJOEVKWSQ-UHFFFAOYSA-N 425.732 2.402 0 40 IEAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCN(C(=O)OC(C)(C)C)CC1)cn2CC(=O)O 36356858 DNUDWYFJFZDQSU-IBGZPJMESA-N 447.488 2.413 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3cccs3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 55408650 CDEHTROZQHCAPW-DLBZAZTESA-N 440.974 2.467 0 40 IEAB CN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 58177764 YVGFGURBXZVNNU-UHFFFAOYSA-N 445.950 2.186 0 40 IEAB CN1CCCN(c2ccc(CNC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)CC1 58246712 JYMFWPGSOAIHKS-UHFFFAOYSA-N 431.581 2.487 0 40 IEAB Cc1c(C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)[nH]c2c1C(=O)CCC2 72338880 LRHORXLXWVUPMP-OAQYLSRUSA-N 442.541 2.424 0 40 IEAB COc1ccc(C2(CNC(=O)CCCN3C(=O)c4cccnc4C3=O)CCOCC2)cc1 95473343 MJYKTGBYAQMTGK-UHFFFAOYSA-N 437.496 2.331 0 40 IEAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccc(F)cc2)CC1 219434127 UVVAHAIZBMQRBE-UHFFFAOYSA-N 431.489 2.099 0 40 IEAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1C 224100340 ZWVREYNQTQPMGM-UHFFFAOYSA-N 432.542 2.442 0 40 IEAB COc1ccc(CCN2C[C@H](C(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)CC2=O)cc1OC 230205076 BILVACWSJNEWCP-HBMCJLEFSA-N 443.588 2.476 0 40 IEAB biogenic Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CC[C@H](c2ccc3c(N)n[nH]c3n2)C1 257259694 KZNOJONHHMJAIW-AWEZNQCLSA-N 440.529 2.154 0 40 IEAB COCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1Cl 408635963 KMXAPONQDDGWHI-UHFFFAOYSA-N 428.894 2.291 0 40 IEAB COc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1C(=O)N1CCOCC1 408693051 CXCGTENBJSACBQ-UHFFFAOYSA-N 436.555 2.238 0 40 IEAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)NCc3ccccc3)C[C@H]2NC2CCOCC2)[nH]1 2332241911 HGQLFXVRNVKOAG-YVNJGZBMSA-N 426.561 2.451 0 40 IEAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1 694568 WEAGPTPURRRNJG-ROUUACIJSA-N 442.472 2.069 0 40 IEAB Cc1noc(C)c1C(=O)COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 3271748 JJMOXKQAHJFCSZ-CHWSQXEVSA-N 436.486 2.129 0 40 IEAB COC(=O)c1sc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)c(C(=O)OC)c1C 3361218 HILYQKPOTNBCNC-UHFFFAOYSA-N 449.514 2.415 0 40 IEAB COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1OC 3874119 MABODVGUOXUNNB-DEOSSOPVSA-N 437.496 2.312 0 40 IEAB biogenic COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1 4897685 OLTYOXGJTDARCS-OAQYLSRUSA-N 429.561 2.430 0 40 IEAB COc1ccc2c(c1)[C@@]1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2CCc1ccccc1 6073680 NYAWLJPMLFPPNI-JOCHJYFZSA-N 438.509 2.440 0 40 IEAB COc1cccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)c1OC 6558910 NJLHMMFSBDAMBF-LBTNJELSSA-N 425.363 2.203 0 40 IEAB Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 9187753 MYTGSDZNYFCWFL-CYBMUJFWSA-N 445.882 2.478 0 40 IEAB COc1ccc(OC)c(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 9282355 FMOIXGRQLKURIW-UHFFFAOYSA-N 431.452 2.360 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)OCO2 9588370 ZBABMMNBJWQQRI-IBGZPJMESA-N 434.470 2.128 0 40 IEAB Cc1ccccc1-n1nc2c(c1NC(=O)C(=O)N[C@H](C)c1ccccc1)CS(=O)(=O)C2 10250591 WCNYCWUCQPDBNQ-OAHLLOKOSA-N 438.509 2.425 0 40 IEAB COc1cccc([C@@H](NS(=O)(=O)CCn2cnc3ccccc32)c2nccn2C)c1 10519214 DIPPLXGUWHQQLZ-HXUWFJFHSA-N 425.514 2.487 0 40 IEAB O=S1(=O)CC[C@@H](n2nc(-c3ccco3)cc2NS(=O)(=O)c2ccc(F)cc2)C1 11795956 XOZAYGQBYMSHPK-CYBMUJFWSA-N 425.463 2.443 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 12234856 BITAVLXOCMNDFU-UHFFFAOYSA-N 429.498 2.081 0 40 IEAB C[C@H]1CCCC[C@H]1NC(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 12239810 HCHXQGHAOSBCSQ-QFBILLFUSA-N 436.560 2.484 0 40 IEAB O=C(NCCC(=O)N1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 12322199 GNESVZDPFIEKGX-MRXNPFEDSA-N 441.981 2.260 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2c(C)cc(C)cc23)c1 12891245 CIEIKHHDHGIWSP-MMXXCSMYSA-N 439.512 2.466 0 40 IEAB biogenic CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(N3CCCC3=O)cc2)c(=O)[nH]c1=O 13005776 SLHRKOXEFPDSIH-UHFFFAOYSA-N 441.532 2.349 0 40 IEAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N(C)CC(=O)NC(C)(C)C 16390606 NTHGJRCZFVKZKJ-UHFFFAOYSA-N 430.471 2.128 0 40 IEAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nccnc32)c(C)c1 16841550 WTZBTRWZJYZFBF-UHFFFAOYSA-N 433.443 2.396 0 40 IEAB C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)C[C@H](C)O1 17325819 UKXVFRNFOXWZKH-OALUTQOASA-N 443.569 2.447 0 40 IEAB Cc1cccc([C@@H]2CN(S(=O)(=O)CCc3ccncc3)C[C@]23CCCCC(=O)N3)n1 19236396 AOHIFSHNQBTJRX-SIKLNZKXSA-N 428.558 2.186 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)ncc1C(=O)N1CCOCC1 19764114 PXTVLNBLWALCFV-LJQANCHMSA-N 437.544 2.343 0 40 IEAB Cc1nc([C@@H]2CCN(S(=O)(=O)c3cnn(C)c3C)C2)ncc1C(=O)Nc1ccccc1 19766036 QIRSGJNJBMYRGI-MRXNPFEDSA-N 440.529 2.257 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCOc3ccccc31)n2C 24585910 WDNGIEBEVIXKQW-UHFFFAOYSA-N 428.514 2.182 0 40 IEAB COc1cc([C@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO)[C@H]2CO)cc(OC)c1O 33831904 WKDDUPJDCWIWAP-DQEHQXCCSA-N 436.457 2.162 0 40 IEAB biogenic,in-vitro O=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1)N1CCCC1 35344122 NQQSRWAWUBISEL-UHFFFAOYSA-N 444.539 2.315 0 40 IEAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1ccco1 40059937 VAQDUBSKXLYBLD-HNNXBMFYSA-N 435.502 2.144 0 40 IEAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CCN(Cc3ccccc3)CC2)c1=O 44840616 MKDJPJOYECTYQY-LJQANCHMSA-N 434.540 2.479 0 40 IEAB O=C([C@@H]1CSCN1C(=O)c1ccccc1)N1CCN(CCOc2ccccc2)CC1 69947042 GCUNGVYWEBQVBV-NRFANRHFSA-N 425.554 2.425 0 40 IEAB CSc1ccc(S(=O)(=O)NC2CCC(C(N)=O)CC2)cc1C(=O)N1CCCCC1 98087214 BZLSZPWPPNPURS-UHFFFAOYSA-N 439.603 2.357 0 40 IEAB O[C@@H]1C[C@@H](SC2=N[C@@H](C(F)(F)F)C[C@@H](c3ccc4c(c3)OCO4)N2)[C@@H]2CO[C@@H]1O2 222436893 HWZQGAWBBFDJRA-YXKRVKSXSA-N 432.420 2.345 0 40 IEAB COCCCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCc3ccccc3C2)n1 225900869 DIVOFRLYDHLHKQ-UHFFFAOYSA-N 442.589 2.199 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@]21O3 245230779 YQLYQETVFQLIKY-FJFBRFEOSA-N 443.588 2.443 0 40 IEAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCC4(O)CCCC4)[C@H](O)[C@@]3(O)[C@@H]1C2 257257606 KQKCCOKEQOVHAH-HLVXHJOFSA-N 431.529 2.409 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(CCOc3cccc(F)c3)n(C)n2)C1 257272083 NAZWVLPVOWTKKL-FQEVSTJZSA-N 440.541 2.141 0 40 IEAB CCOc1ccc(N([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 260903880 QVFXCIITMWTZLU-YJBOKZPZSA-N 434.514 2.196 0 40 IEAB COc1ccc(CN2CCO[C@]3(CN(Cc4cnn(C)c4)C[C@H]3c3cccnc3)C2=O)cc1 306125499 CSOACUNZUPNPRK-ZCYQVOJMSA-N 447.539 2.221 0 40 IEAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)C24CC5CC(CC(C5)C2)C4)C3)n1 306143283 XXTYMPJCNSVAPU-ONUXSRJRSA-N 445.585 2.396 0 40 IEAB CCOC(=O)c1c(NC(=O)CN2CC[C@@H](Nc3ccccc3)C2)sc(C(N)=O)c1C 532681647 GTAGNEVILKJUCB-OAHLLOKOSA-N 430.530 2.457 0 40 IEAB Cc1noc(C)c1[C@H](C)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 608025572 TUCLKFLVVRIAKY-VIFPVBQESA-N 443.323 2.284 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)NC2COC2)C12CCN(C(=O)C1CCC1)CC2 1549174607 LZURQXJDGYXZKZ-OAQYLSRUSA-N 439.556 2.311 0 40 IEAB COC(=O)c1c(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)sc2c1CCCCC2 3454129 NDCHYFXSUYBLMZ-UHFFFAOYSA-N 435.502 2.189 0 40 IEAB CCOC(=O)[C@@H](CC)Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[nH]1 8584036 KKPDZSCCTNYEDQ-CYBMUJFWSA-N 436.490 2.055 0 40 IEAB Cc1c(C)n2c3c(=O)n(CC(=O)OCc4ccccc4)c(=O)n(C)c3nc2n1CC(C)C 10233659 IJDKNCLGUCOFDD-UHFFFAOYSA-N 437.500 2.166 0 40 IEAB Cc1nc2cc(C(=O)N3CCC[C@H]([C@H]4Nc5ccccc5S(=O)(=O)N4)C3)ccc2n1C 12088094 CKIBYHCKUJSYDE-KKSFZXQISA-N 439.541 2.464 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC3(CC2)CNC(=O)c2ccc(OC)cc2O3)cc1 12233664 FISDCSWLSMZMNM-UHFFFAOYSA-N 432.498 2.050 0 40 IEAB CCOc1ccc(C(=O)OCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1OC 12974301 RIOUNTHATPTVKS-HXUWFJFHSA-N 442.512 2.268 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)C2(c3ccccc3F)CCCC2)c(=O)n(C)c1=O 14013902 LTIIVJNQNALQSQ-UHFFFAOYSA-N 445.491 2.162 0 40 IEAB COc1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC 15137100 XQJKFVUYEUTBKT-UHFFFAOYSA-N 442.921 2.303 0 40 IEAB CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)cc(O)n3n2)c1 19116698 RNKXKXVYBXJGIZ-KRWDZBQOSA-N 447.492 2.158 0 40 IEAB CC[C@@H](C)C(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C1 19499766 CIDHQCRDWBTBFB-HUUCEWRRSA-N 426.492 2.470 0 40 IEAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)c2ccc(=O)[nH]n2)C1 19528607 AYSKRWHZSUVJGF-VWLOTQADSA-N 445.523 2.433 0 40 IEAB CC(C)[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc2c(c1)OCCO2 24176475 IQFABKBKRNZKKF-XMMPIXPASA-N 449.507 2.343 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N(C)Cc2ccc(OC)c(OC)c2)Oc2ccccc21 30753366 ZEYCGQAAZCQGJC-FQEVSTJZSA-N 434.514 2.280 0 40 IEAB COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)c1 35088566 BDPLDTAWXWEASQ-MPGHIAIKSA-N 425.363 2.203 0 40 IEAB COCCOC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=S)N[C@@H]1c1csnn1 40152399 ZOSBDMDMBPARPF-GOSISDBHSA-N 448.570 2.484 0 40 IEAB Cc1noc(C)c1CCC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382403 JOLCSCPXLAHCAM-OALUTQOASA-N 425.485 2.427 0 40 IEAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NCCCN1CCc2ccccc2C1 70005864 QMSTUJBKXSAZAY-DEOSSOPVSA-N 446.551 2.027 0 40 IEAB CCNC(=O)C1CN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)C1 79017697 KUNNXBDHRWSFGJ-UHFFFAOYSA-N 430.349 2.329 0 40 IEAB COc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)c1 101169611 MWEISQKPEYZLKQ-SJORKVTESA-N 431.811 2.420 0 40 IEAB COCCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C)c(C)cc21 101345284 OHSSKDZGLUDBOP-DNTCVELPSA-N 425.576 2.065 0 40 IEAB CC(C)NC(=O)C1CCN(C(=O)[C@@H](C(=O)c2ccc(F)cc2)n2ccccc2=O)CC1 199404666 LJTUZCSLVHYRNU-HXUWFJFHSA-N 427.476 2.175 0 40 IEAB CCc1ccc(CCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224479219 CIDZULYDKWTAIW-UHFFFAOYSA-N 446.569 2.398 0 40 IEAB O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCc2nc3ccc(F)cn3c(=O)c2C1 225783032 FFMSBWGXNQBOIG-UHFFFAOYSA-N 437.399 2.028 0 40 IEAB COc1ccccc1CCN1CC(=O)N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@H]21 230035585 NRAVIPCMUUVSPL-MOPGFXCFSA-N 434.945 2.406 0 40 IEAB CC(C)Sc1ccc(CC(=O)N2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1 238814371 BCBSHEMNUPEULU-UHFFFAOYSA-N 436.603 2.386 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCC(C(N)=O)CC2)cc1 2202774 LGLGQXFVHUWEMY-UHFFFAOYSA-N 425.514 2.441 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@H]1c1ccccc1OC 2230263 DCBSQNRTTIRNJD-KBXCAEBGSA-N 426.469 2.212 0 40 IEAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cnc4n(c3=O)CCS4)cc2)c1C 4001692 AKMSPRLGQRTZGS-UHFFFAOYSA-N 447.498 2.007 0 40 IEAB COc1cc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=S)[C@@H]2C)OCO4)cc(OC)c1OC 6003216 JUNCLJIIVWLKKX-FEPWDSCHSA-N 447.513 2.265 0 40 IEAB CN1CCN(c2ccc(NC(=O)CSc3nnnn3-c3ccccc3F)cc2)CC1 8974617 NIPODYJWNUYHCJ-UHFFFAOYSA-N 427.509 2.284 0 40 IEAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9660409 DMLYIOOJVVIZCN-INIZCTEOSA-N 446.511 2.361 0 40 IEAB COc1ccccc1CCNC(=O)c1cn(C)c2c(=O)n(Cc3ccccc3)c(=O)[nH]c12 9821256 JETDHMXCQYWPBR-UHFFFAOYSA-N 432.480 2.058 0 40 IEAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21)c1ccc(Br)o1 9822845 XQDUYIIEJHYDJZ-UHFFFAOYSA-N 442.273 2.427 0 40 IEAB CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1Cl 9877489 KKHXMOQOAONJNP-QGZVFWFLSA-N 449.916 2.497 0 40 IEAB Cc1cccc(Cn2c(=O)c3c(nc4n(CCCn5ccnc5)c(C)cn34)n(C)c2=O)c1 10233357 RAHTYJHTUHLRTO-UHFFFAOYSA-N 431.500 2.101 0 40 IEAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)NCc1ccccc1Cl 12085652 GDAFYOKFWZFQCS-JOCHJYFZSA-N 427.888 2.487 0 40 IEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(Cc2ccc(F)cc2)C[C@@H]1C(=O)N(C)C 12124672 JZAPGIMUDMNQPC-QPPBQGQZSA-N 425.504 2.469 0 40 IEAB C[C@H]1CN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)C[C@@H](C)O1 12233295 HAPLPJWOJVSQND-DVOMOZLQSA-N 443.504 2.394 0 40 IEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 13117581 FWACPGDPMNXWNM-XMMPIXPASA-N 435.480 2.200 0 40 IEAB O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C(=S)NCc2ccccc2)CC1 13683153 HKKARTJTFOQKHN-UHFFFAOYSA-N 429.489 2.485 0 40 IEAB CC(C)Cc1cnc2c(c1SCC(=O)NCCc1ccccc1)c(=O)n(C)c(=O)n2C 15883694 PUNYRCZVVQOYBI-UHFFFAOYSA-N 440.569 2.282 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccnc3)[nH]c2=O)C1 19337588 ZYBOXFMYCSXNKV-HXUWFJFHSA-N 444.495 2.126 0 40 IEAB C[C@H](NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1 19357538 YKAVPVZCAOEBRJ-QUSOVRKFSA-N 444.528 2.178 0 40 IEAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@H]3CCS(=O)(=O)C3)cc2n1 19522257 IYQPHWNWGNRNGZ-FZMZJTMJSA-N 430.452 2.409 0 40 IEAB CN(C)[C@@H]1CCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)C1 19581724 MYPFHMOEXWAKNE-VJBWXMMDSA-N 448.615 2.455 0 40 IEAB COc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN(S(C)(=O)=O)C4)nc32)cc1 19739415 JIBDQSTVEBABHD-KRWDZBQOSA-N 444.557 2.412 0 40 IEAB Cc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1 20140642 UXSQYLZPGDXOHH-TZIWHRDSSA-N 436.516 2.301 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(F)cc1 20674679 FXLXXRLTQAYOKT-SFTDATJTSA-N 438.503 2.350 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 23873303 ZKOIUBBCMFTCNG-UHFFFAOYSA-N 438.557 2.167 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)CC3CCCCC3)CC2)cc1 25047187 FFTJTDYCDLCWMR-UHFFFAOYSA-N 435.590 2.234 0 40 IEAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1ccnc(-n2cccn2)c1 25123421 OTGOXOXEDUCDFE-UHFFFAOYSA-N 435.513 2.340 0 40 IEAB O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCN(C(=O)[C@@H]2CCCO2)CC1 58392797 NIDCHFCEPXVVBB-INIZCTEOSA-N 438.410 2.141 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2sc(C)c(C)c2C)CC1 72304829 PDVLWFJIBWSIQR-UHFFFAOYSA-N 426.564 2.223 0 40 IEAB Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NCc1c(C)nc3c(c1C)c(=O)[nH]n3C)CC2 79101822 BNHIWLOSBSIKAE-LBPRGKRZSA-N 448.449 2.417 0 40 IEAB COC(=O)c1ccc(OC)c(CN2N=N[C@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@@H]32)c1 95481471 ICXKDMNISLCUNS-IAGOWNOFSA-N 430.367 2.253 0 40 IEAB CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 96003384 BFXLAVNAWYBKNJ-UGSOOPFHSA-N 436.350 2.331 0 40 IEAB Cc1occc1C(=O)N1CCC[C@]2(C(=O)NCC3CC3)CN(Cc3cnn(C)c3)C[C@@H]2C1 96251457 XSPVKBVEVGGETL-YKSBVNFPSA-N 439.560 2.202 0 40 IEAB O=C(Cc1cccnc1)N1CC[C@]2(C1)c1ccccc1S(=O)(=O)N2Cc1cccnc1 96261928 XKMCCQVYEAOCKE-QHCPKHFHSA-N 434.521 2.351 0 40 IEAB CC1=C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C[C@@H]1n1[nH]c(=O)n(Cc2ccccc2)c1=O 100934328 XYTLCKXGZKYPTP-UFYCRDLUSA-N 430.464 2.083 0 40 IEAB CCn1c(S)nc2cc(C(=O)Nc3ccc(F)c(NS(C)(=O)=O)c3)ccc2c1=O 102910408 BNMYJHGPMPHSJN-UHFFFAOYSA-N 436.490 2.468 0 40 IEAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3ncn[nH]3)cc2)cc1 222673360 KGQXSLHJUMCNCY-UHFFFAOYSA-N 447.542 2.201 0 40 IEAB COc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1C(=O)NC(C)C 223883358 YSVMXQJZHLAAIH-UHFFFAOYSA-N 434.514 2.425 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)c(OC)c1 224063863 ZLIBMNLJWRCGMM-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB CC(C)Sc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)s1 224690326 SSAALMOLJTWIKY-UHFFFAOYSA-N 442.588 2.453 0 40 IEAB Cc1ccc(C)c(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(=O)(=O)N(C)C)c1 225044859 DZTWGAYKYRVUKT-UHFFFAOYSA-N 448.570 2.468 0 40 IEAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](CCNS(=O)(=O)c4c(C)noc4C)OCC[C@@]31C2 257214470 CMCRJRSFADBASZ-VVBRCAISSA-N 439.578 2.306 0 40 IEAB CNc1nc([C@H]2CCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)nc2c1CCN(C(C)=O)C2 257236489 HCKULASLYLRJLW-HNNXBMFYSA-N 447.536 2.049 0 40 IEAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3cccc(Cc4ccccc4)n3)CC2)OC[C@]1(C)O 257260381 LCPKYNDJRUXMTK-UPVQGACJSA-N 437.540 2.323 0 40 IEAB O=C(NC1CCCCC1)c1nnc2n1CC1(CCN(C(=O)c3ccco3)CC1)COC2 306132260 LDBDWOJVVPPBRI-UHFFFAOYSA-N 427.505 2.386 0 40 IEAB Cc1c(NS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)cnn1-c1ccc(Cl)cc1 581033429 GOHRDIRKYKUNTK-UHFFFAOYSA-N 448.888 2.449 0 40 IEAB CCCn1cc(C(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)cn1 585286122 NCRDMSTXVAGTDT-OAQYLSRUSA-N 434.924 2.421 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 2688570 CQBRJPBFBLPCGA-QAPCUYQASA-N 445.522 2.026 0 40 IEAB Cc1cc(C)n2nc(SCC(=O)N(Cc3ccccc3)[C@@H]3CCS(=O)(=O)C3)nc2n1 3373957 SLJQSWVEJNXDGH-QGZVFWFLSA-N 445.570 2.049 0 40 IEAB O=C(NCCc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 3439977 NWFNWXUWKXITSQ-UHFFFAOYSA-N 448.516 2.357 0 40 IEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)N1CCc3ccccc31)C2=O 5365193 YYRDVRCGGKRKLB-WNSKOXEYSA-N 427.501 2.256 0 40 IEAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 8792466 JVWWLZIATOOHAQ-HXKBJWFLSA-N 428.492 2.204 0 40 IEAB biogenic Nc1cccc2c1C(=O)N(C(=O)c1ccc3c(c1)S(=O)(=O)N=C1CCCCCN13)C2=O 9284130 FFWDHZDHLIWSRS-UHFFFAOYSA-N 438.465 2.186 0 40 IEAB COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1 9591293 AOBGLAIZEXOVDW-AWEZNQCLSA-N 430.844 2.268 0 40 IEAB Nc1nc(SCC(=O)N2CCc3ccccc32)[nH]c(=O)c1NC(=O)c1cccs1 9599475 GTNPLFVWJLTTQV-UHFFFAOYSA-N 427.511 2.347 0 40 IEAB Cc1ccc(NC(=O)CSc2nnnn2C2CC2)cc1S(=O)(=O)N1CCCCC1 9712309 VUSDABYUTBFHJG-UHFFFAOYSA-N 436.563 2.222 0 40 IEAB CCCn1c(COC(=O)c2cc(CO)oc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 10725376 SOGVCVIHLPRQOU-UHFFFAOYSA-N 435.502 2.447 0 40 IEAB CCOc1c(Cl)cc(C(=O)OCC(=O)N2CCN(c3ncccn3)CC2)cc1OC 10819029 BLDXTDZZCRRWCH-UHFFFAOYSA-N 434.880 2.043 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 11565388 HMWXJXCSPPTDNB-UHFFFAOYSA-N 443.529 2.194 0 40 IEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 11634821 SSOIFOUGTABUDC-ZDUSSCGKSA-N 434.474 2.230 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)cc1 12796474 RGKUIENLAPBLSP-JYYAWHABSA-N 438.546 2.277 0 40 IEAB COc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC 13145834 SIBVGFGNDWQMNQ-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 14246558 FXBGTFUVIBLPPU-RMKNXTFCSA-N 427.570 2.473 0 40 IEAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 16790378 ALBFTSQMPOFVIU-UHFFFAOYSA-N 429.420 2.290 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@@H]1c1ccccc1 17100280 JDOHYXNJOJZTRX-LEWJYISDSA-N 436.512 2.224 0 40 IEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(Cc2ccccc2F)C[C@@H]1C(=O)N(C)C 19580956 ZGJQXTLQWHBYPX-YKSBVNFPSA-N 425.504 2.469 0 40 IEAB CCc1nccn1[C@H](C)C(=O)N1CCC(c2ccc(C(=O)N3CCN(C)CC3)cn2)CC1 19708417 MLSVCXIPODOEBG-GOSISDBHSA-N 438.576 2.195 0 40 IEAB COCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20005963 AWULCLGVQCMNGY-QGZVFWFLSA-N 426.922 2.001 0 40 IEAB CC(=O)Oc1ccccc1C(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134360 WMZCLYFFRFYFQT-UHFFFAOYSA-N 440.891 2.199 0 40 IEAB O=C(NCCCN1CCN(c2ccccc2)CC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 31241236 CHOJKKKIIXSZIM-HSZRJFAPSA-N 434.584 2.406 0 40 IEAB Cc1nc(C(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)nn1-c1ccc(F)cc1 32820677 FHPROLIPWLXTEP-QFIPXVFZSA-N 436.447 2.303 0 40 IEAB CCn1nc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2c1=O 32910529 PKJVWTAAMOAEHO-UHFFFAOYSA-N 436.468 2.049 0 40 IEAB CN1CCN(c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)cc2)CC1 33158308 FVNQWLVOSLSWJX-IBGZPJMESA-N 442.585 2.478 0 40 IEAB O=S(=O)(c1ccc(I)cc1)N1CCN(c2ccccn2)CC1 35622993 HNNHIZNIPZUXHP-UHFFFAOYSA-N 429.283 2.197 0 40 IEAB COc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)c2cccnc2SC)CC1 43942732 IVFFSVARGHLVSQ-UHFFFAOYSA-N 442.541 2.419 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc(C)c4ccccc4n3)CC2)o1 58245257 OHWXIUIWBOSEDA-UHFFFAOYSA-N 444.513 2.214 0 40 IEAB CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1ccc(OCC)c(OC)c1 67286741 RMQVNWMKCKCPLW-IBGZPJMESA-N 435.546 2.314 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)c2cn[nH]c2-c2cccc(Br)c2)cc1 72329078 NCGDNOBWLBTMMT-UHFFFAOYSA-N 449.330 2.459 0 40 IEAB Cn1nccc1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 72399094 PNIUCTSFNIDPRP-GOSISDBHSA-N 438.557 2.491 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 100771978 SZPHHKGIDOFWOT-MTSZKFMLSA-N 441.569 2.438 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1ccc(C)c(C)c1)c1ccc2c(c1)OCCO2 224163273 YAXFOOIQYKYQPZ-UHFFFAOYSA-N 448.541 2.426 0 40 IEAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCOCC3)ccc21 224857652 YABDLQHXOXEVOS-UHFFFAOYSA-N 443.525 2.259 0 40 IEAB O=C(NC1CCCCC1)[C@H]1[C@@H]2C(=O)N(C3CC3)[C@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 245230459 SERHDJBFTOPWOL-RCCCMVMJSA-N 441.572 2.197 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C5(CCCCC5)[C@H]34)[C@@H]2C1=O 247430264 ULJQFMBPPQGCOO-QCUBABQUSA-N 434.539 2.064 0 40 IEAB COC(=O)[C@]1(CC(=O)N2C[C@@H](C)O[C@H](C)C2)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 247810808 CMZGYCIEXZXDJV-ONMAOXHTSA-N 446.519 2.317 0 40 IEAB Cc1nc2cc([C@H]3CCN(C(=O)c4ccncc4)C3)nn2c(O)c1CCC(=O)NC(C)C 257274205 NJZIOOMKWNHABX-KRWDZBQOSA-N 436.516 2.225 0 40 IEAB Cc1cn([C@H]2CCN(C(=O)CCCc3nc4ccccc4s3)C[C@]2(C)O)c(O)nc1=O 257300117 RSYNBEKFOVVBPK-JTSKRJEESA-N 442.541 2.414 0 40 IEAB CNC(=O)[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(NC(C)=O)cc2Cl)C1 257311920 ULPHFSDHDIKYOF-QFIPXVFZSA-N 443.935 2.412 0 40 IEAB C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CC[C@@H](CNc2ccccn2)C1 506071569 LNRDFUXRFQVHMN-OFNKIYASSA-N 437.588 2.353 0 40 IEAB Brc1ccc(CCN2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1 1889138996 VJTDUJDCNSFAJM-UHFFFAOYSA-N 432.366 2.440 0 40 IEAB COc1cc2c(=O)c(-c3ccc(OC(=O)[C@@H](C)O)cc3)coc2cc1OC(=O)[C@H](C)O 2060990716 VHLGZVLPSYCFEK-NEPJUHHUSA-N 428.393 2.041 0 40 IEAB COc1cc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4cccs4)CO[C@H]23)cc(OC)c1 4222847 XFPWEQPQIXPNIC-BURFUSLBSA-N 434.470 2.279 0 40 IEAB biogenic,in-vitro CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccncc1 8974850 QTMMURJTPFNNKQ-BUFVEUBRSA-N 438.553 2.499 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 9806835 PXRMEKLSCUCVQU-SFHVURJKSA-N 445.541 2.220 0 40 IEAB O=C(CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)OCc1ccccc1 9963536 YTDMWUKHOQCVEK-UHFFFAOYSA-N 428.466 2.231 0 40 IEAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 10149528 SESPWZXYTSFNCU-UHFFFAOYSA-N 447.444 2.254 0 40 IEAB CCn1nnc2cc(C(=O)O[C@H](C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21 10853993 JBQOXKFBQAOHHW-OAHLLOKOSA-N 448.483 2.433 0 40 IEAB O=C(CCc1cccnc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 12550557 WABZTFIQBXBAMX-UHFFFAOYSA-N 438.347 2.310 0 40 IEAB CCN(C(=O)[C@H](C)Sc1nnc(NCc2ccco2)s1)[C@H]1CCS(=O)(=O)C1 13127979 ZQBHWZNAJCZIEU-RYUDHWBXSA-N 430.577 2.259 0 40 IEAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 14093341 DRBIRAQRLYWXHQ-CYBMUJFWSA-N 436.490 2.053 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nnn(-c4ccccc4)c3=S)CC2)cc1 14253922 SXBBJRJNVQFBIU-UHFFFAOYSA-N 430.559 2.071 0 40 IEAB CCN1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1CN(C[C@H]1CC=CCC1)CC2 14534724 DCAMCXHGMQDVHE-VQTJNVASSA-N 429.609 2.458 0 40 IEAB COc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2OC)cc1OC 16959857 OAWGGAIPYTYXNP-UHFFFAOYSA-N 427.432 2.370 0 40 IEAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCN(c2ncccn2)CC1 17299260 GNQVCPZMFHASHA-UHFFFAOYSA-N 438.538 2.325 0 40 IEAB Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)c1ccc(F)cc1F 19240615 MASFPARCVMYCCZ-UHFFFAOYSA-N 441.369 2.290 0 40 IEAB CC(=O)NCc1ccc([C@H]2CN(C(=O)c3cn4cccc(C)c4n3)C[C@@H]2C(=O)N(C)C)cc1 19698692 PNAXBMXVYLVNDC-RTWAWAEBSA-N 447.539 2.223 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1C 21326393 DEJHARPQUMOKON-UHFFFAOYSA-N 448.497 2.170 0 40 IEAB CCn1cc2c(n1)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCc1ccc(C)cc1 21713724 GYLNMXVJBFPPIQ-UHFFFAOYSA-N 431.496 2.053 0 40 IEAB COc1ccc(OC)c(N(CC(=O)N[C@H](C)COc2ccc(C)cc2)S(C)(=O)=O)c1 22333953 UFGVBAIHPBRVGD-MRXNPFEDSA-N 436.530 2.362 0 40 IEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2CN2CCOCC2)c1 23148597 PMRCXHSQGVAWKV-UHFFFAOYSA-N 438.933 2.437 0 40 IEAB Cc1ccc(N2N=C(C(=O)NCc3ccc(CN4C[C@H](C)O[C@@H](C)C4)cc3)NCC2=O)cc1 25857722 LGDNAOUKDKHFQZ-OALUTQOASA-N 449.555 2.170 0 40 IEAB CC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 29384070 VAMURRUCCDDEMR-UHFFFAOYSA-N 438.413 2.122 0 40 IEAB COc1ccccc1N1CCN(C(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)CC1 32073359 USJUZFCRTOFBKH-UHFFFAOYSA-N 428.510 2.158 0 40 IEAB CCOC(=O)C(NC(=O)c1cnn(-c2ccc(Br)cc2)c1C)C(=O)OCC 32909614 LQOINFURSSNOSB-UHFFFAOYSA-N 438.278 2.168 0 40 IEAB COC(=O)c1cnc(NC[C@H]2CCCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1 40153547 WAPUSVFOLHHGSU-QGZVFWFLSA-N 445.541 2.421 0 40 IEAB CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 49087932 WHSOLWOTCHFFBK-ZQGJOIPISA-N 434.554 2.225 0 40 IEAB investigational Cn1cc(-c2ccncc2)c(-c2cccc(CNC(=O)CCN3C(=O)NC(C)(C)C3=O)c2)n1 72344985 FWUHKTDSTRDNFK-UHFFFAOYSA-N 446.511 2.486 0 40 IEAB CCn1ccc(-c2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc(C)n2)n1 72373277 QVWMTYRISFMZDQ-UHFFFAOYSA-N 426.546 2.488 0 40 IEAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc[nH]n1 72394871 FGWUJSJSTFQNAD-RBBKRZOGSA-N 447.539 2.102 0 40 IEAB COc1ccc(CN2CCC(NC(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)cc1OC 79493121 NAPXUKBAUHSCGQ-IBGZPJMESA-N 439.560 2.491 0 40 IEAB CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@H](C(C)C)N2CCOCC2)s1 95455469 FCPCJMPTYROVLM-GOSISDBHSA-N 445.651 2.088 0 40 IEAB CCOc1ccc(S(=O)(=O)NN[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 102304204 PHTGCJZNPIHAEI-MRXNPFEDSA-N 437.905 2.162 0 40 IEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc(CN2CCOCC2)c1 216303877 IBMMWDNNQUAVNT-UHFFFAOYSA-N 447.557 2.466 0 40 IEAB C[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O 224724799 FGKUPFRDJDAYQJ-QGZVFWFLSA-N 449.548 2.129 0 40 IEAB CC(C)n1c(=O)sc2cc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)ccc21 225143881 FVSTUXWFZOLVBD-UHFFFAOYSA-N 431.495 2.427 0 40 IEAB Cc1c(NC(=O)CN2CCO[C@@H](c3cc(CCOc4ccccc4)n(C)n3)C2)cnn1C 257324112 WNFSOEJEHJKYPJ-JOCHJYFZSA-N 438.532 2.096 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)Cc2c(C)n[nH]c2C)CC1 257338109 YVWJEPWNKZIJNP-CQOQZXRMSA-N 426.561 2.405 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 260800833 YREWDCJXNUTERR-CVEARBPZSA-N 436.530 2.442 0 40 IEAB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1Cl)[C@@]1(C3OCCO3)C=C[C@H]2O1 409306629 QHXGSCNXDSRXDC-HPTBWKMGSA-N 426.650 2.288 0 40 IEAB COC(=O)c1sc(S(=O)(=O)Nc2cc(C)cc(C(=O)O)c2)c(C(=O)OC)c1C 507601409 GBCPKMKRFDLNGN-UHFFFAOYSA-N 427.456 2.437 0 40 IEAB CC(=O)N1CCN(Cc2ccc(OCCN(C)C)cc2)C[C@@](O)(COc2ccccc2)C1 585270823 DFICNJNXGARAMF-VWLOTQADSA-N 441.572 2.101 0 40 IEAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC 932370 WRRGFFYTLWGXFT-UHFFFAOYSA-N 429.458 2.182 0 40 IEAB COc1ccc(C)cc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C 932556 CRBRUFXUMFHPRX-UHFFFAOYSA-N 431.518 2.062 0 40 IEAB CCOCCn1c(=O)c2c(nc3n(-c4ccc(OCC)cc4)c(C)c(C)n23)n(C)c1=O 4386382 XAGYATREJVVPPV-UHFFFAOYSA-N 425.489 2.191 0 40 IEAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)COc2ccc(C)cc2)c1 4710850 SYZJFYMAHVELJA-UHFFFAOYSA-N 425.485 2.468 0 40 IEAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 8705499 YFNKRXQTDUCGOT-MTTLDHAHSA-N 444.532 2.373 0 40 IEAB COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)c1 8992297 JNLCGODQODQSLE-SFHVURJKSA-N 445.541 2.371 0 40 IEAB Nc1nc(SCC(=O)NCCc2ccccc2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 9518065 QKHLGJPVHDVVEK-UHFFFAOYSA-N 441.488 2.195 0 40 IEAB COC(=O)c1c(NC(=O)c2ccccc2S(C)(=O)=O)sc2c1CCN(C(C)=O)C2 9712678 KQLFJVKRCGEMRF-UHFFFAOYSA-N 436.511 2.095 0 40 IEAB C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N[C@]2(CCCc3sccc32)C1=O 12697885 JNAFRYPBGFZIGY-QKVFXAPYSA-N 427.482 2.265 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)O 12884274 VIABPXCUXYVHTH-NXOXCILZSA-N 447.557 2.155 0 40 IEAB biogenic COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)CC(=O)Nc1ccccc1Cl 12995356 NYDRBYPZDQCWHM-IBGZPJMESA-N 429.904 2.337 0 40 IEAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12998152 JWLSBSMITVIPIG-HXUWFJFHSA-N 435.496 2.291 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 16682380 LEGXKDBOXVHHQL-MTGKDYNDSA-N 435.505 2.202 0 40 IEAB COc1ccc(C)cc1NC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2nccnc21 16841552 VUFWHQWFFLLJNA-UHFFFAOYSA-N 449.442 2.096 0 40 IEAB CCOc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OCC 17315423 BIBUZVGPLHUTTA-UHFFFAOYSA-N 441.532 2.073 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)C3[C@H]4CCCC[C@@H]34)[nH]c2=O)C1 19404942 UGDAXLDIUINBEU-BTZQBXNDSA-N 447.539 2.463 0 40 IEAB CCn1nccc1C(=O)N1CCc2nc([C@@H]3CCCN3C(=O)C3CCCC3)[nH]c(=O)c2C1 19524159 HNEUBZZRLSKGQF-SFHVURJKSA-N 438.532 2.039 0 40 IEAB Cc1nonc1C(=O)NCC(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 19558852 FISYUIPNDHLRKU-UHFFFAOYSA-N 445.951 2.464 0 40 IEAB O=C(NCc1ccccc1)c1ccc(=O)n(CC(=O)N2CCCC[C@@H]2CN2CCCC2)c1 19751319 RPMFMCBKHDKABW-JOCHJYFZSA-N 436.556 2.255 0 40 IEAB CC[C@@H](C)NC(=S)N(CCN1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O 20081349 UPSUNVHHLZQNEN-MRXNPFEDSA-N 432.590 2.344 0 40 IEAB CN(C)[C@@H]1N(C(=O)c2ccc(Br)cc2)N=C2c3ccccc3S(=O)(=O)N21 20145967 LOKBDCJOMPACRA-QGZVFWFLSA-N 435.303 2.116 0 40 IEAB COc1cccc2c([C@H](C(=O)O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c[nH]c12 20732587 RFLQPQUWBZPOFS-HXUWFJFHSA-N 429.498 2.309 0 40 IEAB O=C(NCCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1c(F)cccc1Cl 20886253 YCYQLLDBMBTSJT-UHFFFAOYSA-N 425.913 2.215 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1 22310231 KTSZNGFACDNLAE-UHFFFAOYSA-N 429.542 2.269 0 40 IEAB O=S(=O)(c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc1)N1CCOCC1 23866658 MHSVVWNMVWDWBK-SFHVURJKSA-N 431.514 2.215 0 40 IEAB Cc1sc2ncn(CCC(=O)OCCN3C(=O)c4ccccc4C3=O)c(=O)c2c1C 24136697 VTYIWOAFIALFDJ-UHFFFAOYSA-N 425.466 2.304 0 40 IEAB Cc1ccc(-c2noc(CSCCCn3c(=O)c4c(ncn4C)n(C)c3=O)n2)cc1 28908365 YBJXRDNMKGXENX-UHFFFAOYSA-N 426.502 2.116 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(O[C@H](C)C(=O)OC)c3)C2=O)o1 33452495 WNXSNJZOVWFAJV-YUSFRKCESA-N 428.397 2.099 0 40 IEAB COc1ccc(/C=C/C(=O)Nc2ccc(-n3nnc(C(=O)NC4CC4)n3)cc2)cc1OC 71000905 MYMPAOXHJDNHSA-UUILKARUSA-N 434.456 2.224 0 40 IEAB COc1ccc(-c2nc(CCNC(=O)c3ccc(N4CCOCC4)nn3)cs2)cc1 77099915 PACYDQLZHPXQHK-UHFFFAOYSA-N 425.514 2.418 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nn(C)c(=O)n4C4CC4)CC3)CC2=O)cc1C 77148684 DPJXKEIIFUWHGL-SFHVURJKSA-N 437.544 2.293 0 40 IEAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 78752136 FQMYSZIEQBEXJR-GHTZIAJQSA-N 446.567 2.125 0 40 IEAB COC(=O)c1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 89614382 POTZKLBBUAETMZ-UHFFFAOYSA-N 445.541 2.035 0 40 IEAB O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2sc3c(c12)CCC3 89788105 REZSRKXNTZZUCW-UHFFFAOYSA-N 448.545 2.119 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 95995992 GYGCGVYJJXPUMQ-RTBURBONSA-N 425.595 2.385 0 40 IEAB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 225244311 DNBRIMKLTXAGPA-OAHLLOKOSA-N 444.431 2.428 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 225284819 PBEKBQSRAZWHCU-KRWDZBQOSA-N 446.573 2.240 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)c1 225474051 PKZCGVFQPFXJHT-VLIAUNLRSA-N 434.514 2.498 0 40 IEAB CCN1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)CC1 409385523 AEGHJQIQOYAMBE-UHFFFAOYSA-N 445.585 2.359 0 40 IEAB CO[C@H]1[C@H]2C[C@H]3CN(C(=O)[C@H]4CCC[C@H]4C(=O)N4C[C@H]5C[C@H]6C[C@@H]5[C@@H]4[C@@H]6OC)[C@@H]1[C@@H]3C2 553324215 GMSJEEKRUSNIFB-XBECTCPMSA-N 428.573 2.166 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(Cc1cccn1C)C2 1549167627 QKCZSKQYPHVVSH-QFIPXVFZSA-N 436.556 2.086 0 40 IEAB O=C(Nc1nonc1OCCOc1nonc1NC(=O)c1ccccc1)c1ccccc1 3016734 DHVBHTNHVGGSPC-UHFFFAOYSA-N 436.384 2.415 0 40 IEAB Cc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1 8692597 AEUFQMMHORQIAB-QPJJXVBHSA-N 430.482 2.397 0 40 IEAB aggregator CCN(CC(=O)NC(C)C)C(=O)COc1cc2ccccc2cc1C(=O)N1CCOCC1 9255664 PQZHLNXLBGIKKD-UHFFFAOYSA-N 441.528 2.064 0 40 IEAB Nn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1n[nH]c2c1CCC2 9450901 ICOSAKGIJMZMBA-UHFFFAOYSA-N 434.323 2.364 0 40 IEAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(OC)cc4OC)nc32)cc1 9739092 NVRWQHAVTQMCLH-UHFFFAOYSA-N 435.440 2.291 0 40 IEAB Nc1cc(N)nc(SCC(=O)Nc2ncc(Br)cc2Br)n1 9805334 AEUCIVUMYVPFHS-UHFFFAOYSA-N 434.117 2.292 0 40 IEAB COc1cccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3CC(C)C)c1 10525737 DLAHRDSIWIGIMZ-UHFFFAOYSA-N 443.529 2.194 0 40 IEAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccccc21)N1CCOCC1 12377450 JROKTXFDGUZORR-UHFFFAOYSA-N 436.917 2.329 0 40 IEAB CCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)COCc1nc2ccccc2c(=O)[nH]1 12757204 SMPRRMYUQCYMSO-UHFFFAOYSA-N 439.497 2.177 0 40 IEAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)ccc12 12871294 MAADTXLXEYXYCO-ZSEKCTLFSA-N 446.500 2.164 0 40 IEAB biogenic CCc1ccc(NC(=O)[C@H](C)NC(=O)C2CCN(C(=O)[C@@H](N)CCSC)CC2)cc1 12871920 GYCYHTLTNKPDGV-KXBFYZLASA-N 434.606 2.011 0 40 IEAB biogenic CCCCOc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OCC 12907777 ALECGGSEPCPMKZ-UGAXZCSASA-N 439.530 2.124 0 40 IEAB CCCCN(C(=O)C[C@H]1OC(=O)c2ccccc21)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14719869 XQSIOLYCMTYHRG-MRXNPFEDSA-N 428.489 2.210 0 40 IEAB COc1ccc(C[C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3)C2=O)cc1OC 15552780 CIPCQACCVNVAIB-OAQYLSRUSA-N 433.411 2.474 0 40 IEAB CCc1cccc2c1NC(=O)[C@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 16020721 FIWJEROXCFEZOZ-GJCNVREDSA-N 425.529 2.073 0 40 IEAB CCN(CC(=O)N1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(OC)cc1 16678362 XVAXRFCNKFEKLA-UHFFFAOYSA-N 447.557 2.063 0 40 IEAB COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2OC)CC1 19593966 BEVUWAQWBQXOKS-OAQYLSRUSA-N 426.496 2.379 0 40 IEAB COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccccc2F)CC1 19593990 ALSHPQUXWURKPV-NRFANRHFSA-N 426.496 2.379 0 40 IEAB Nc1ncnc2nc([C@@H]3CN(C(=O)CN4CCC(c5ccccc5)CC4)CCO3)ccc12 19704817 MPTQRVKTXBSDAD-NRFANRHFSA-N 432.528 2.387 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)CCN1CCC[C@@H](C)C1)CC2 19711394 URTQXYIAOGLCNC-QGZVFWFLSA-N 442.608 2.251 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCCN3C(=O)CN(C)C)nc2C)c1 19753996 KQUNSUFJZRPLSD-FQEVSTJZSA-N 425.533 2.339 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2-n2ccnc2)Oc2ccccc21 20110228 HYKGERCQTWGFLB-HXUWFJFHSA-N 426.498 2.106 0 40 IEAB COc1ccc(CN(C(=O)/C=C/C(=O)O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 20131682 QUBQCBFHFRMCTD-CVTTXWKISA-N 438.436 2.005 0 40 IEAB C[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 21790346 JBGUQNKSVOEVDZ-OAHLLOKOSA-N 442.493 2.104 0 40 IEAB C[C@@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21 22613297 HOIFMECXRIOZEO-MRXNPFEDSA-N 430.526 2.303 0 40 IEAB COc1cccc([C@H](NC(=O)CCn2nc(O)c3ccccc3c2=O)c2nccn2C)c1 24019249 OIHJMIWXMFCKIF-FQEVSTJZSA-N 433.468 2.140 0 40 IEAB Cc1ccc2c(c1)C(=O)N(CCCC(=O)N1CCC(NC(=O)c3ccncc3)CC1)C2=O 40151775 AXRNWIYDVXRJIW-UHFFFAOYSA-N 434.496 2.187 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43941947 RPWJIFPLGHEKTG-UHFFFAOYSA-N 439.468 2.059 0 40 IEAB CCCCCCn1c(N2CCN(Cc3ccc(F)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952451 XHDIEVALISVPRO-UHFFFAOYSA-N 442.539 2.465 0 40 IEAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccccc1OCC 67286801 DQGCBUFIUZPLJI-HXUWFJFHSA-N 445.516 2.095 0 40 IEAB CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3ccccc3OCC)NC(=O)N2)C1 67287868 KUPKEJMAXAJKGG-YWZLYKJASA-N 445.516 2.141 0 40 IEAB CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)NCc3ccccc3F)c(N)n2)CC1 71772292 OPOBXMQEXAOWBW-UHFFFAOYSA-N 430.484 2.185 0 40 IEAB Cc1cc(C)n(-c2ccc([C@H](C)NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2)n1 79062641 FHCSIJFVWOOJEF-HNNXBMFYSA-N 434.543 2.176 0 40 IEAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)no1 96010162 BQLPIYDNWGGSFG-SJKOYZFVSA-N 436.921 2.396 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1 96121558 ZHBJLHLVFVZVLP-UHFFFAOYSA-N 444.479 2.461 0 40 IEAB CC(C)C(=O)N1CCC(c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CCC2)CC4)CC1 100243094 MZPBSFSTGNQNTA-UHFFFAOYSA-N 425.533 2.482 0 40 IEAB COC(=O)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1)C(C)C 101413068 SOVAMZYDBNWLGE-SWLSCSKDSA-N 440.547 2.128 0 40 IEAB COc1cccc(C(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5)[nH]c4n3)CC2)c1 102463616 GVRVLRIYSQBFNI-UHFFFAOYSA-N 444.495 2.051 0 40 IEAB COc1ccc(NC(=O)c2ccc3nnc([C@@H]4CN(c5ncccn5)CCN4C)n3c2)cc1 107189452 QXKCDKHHJDPBIT-IBGZPJMESA-N 444.499 2.273 0 40 IEAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 147115255 QWVQSHFTJPGNED-IBGZPJMESA-N 444.605 2.291 0 40 IEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCc1nc(-c2ccc(Cl)cc2)no1 219672586 XKUZUOLHLKOBCW-UHFFFAOYSA-N 446.872 2.241 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2ccc(C)cc2C)S(C)(=O)=O)cc1OC 223660087 BXZSFPNVVWHJLL-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCC2)c1)Cc1ccccc1F 224639188 GDTIDZMMPDTERZ-UHFFFAOYSA-N 433.549 2.500 0 40 IEAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225679206 IKIXTPYRERSMDE-UHFFFAOYSA-N 435.527 2.167 0 40 IEAB CCN(CC(=O)N1C[C@@H](C(=O)OC)Oc2ccccc21)S(=O)(=O)c1cc(C)ccc1C 225931737 FCHZEKGPIIJUOP-IBGZPJMESA-N 446.525 2.281 0 40 IEAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(Cc3ccccc3)S(C)(=O)=O)c2)n1 226079979 ZHDYVRQELJWFPB-UHFFFAOYSA-N 426.498 2.146 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@H](Oc3ncccc3Br)C2)cc1 238885436 PXXFFMMPBZQZGL-ZDUSSCGKSA-N 441.303 2.473 0 40 IEAB COCCC(=O)N1CCC2(CC1)CN(C(=O)OC)Cc1nnc(-c3ccc(F)cc3)n12 306137371 QUKXVKRPZBCXMU-UHFFFAOYSA-N 431.468 2.020 0 40 IEAB CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1O 409411379 HKCJQSYFKOOKDZ-UHFFFAOYSA-N 433.515 2.049 0 40 IEAB Cc1cccc(OC[C@@]2(O)CN(Cc3cccc(OCCn4cncn4)c3)CC[C@@H]2O)c1 585283590 SBFFMIYBOONQNK-ZEQRLZLVSA-N 438.528 2.042 0 40 IEAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)C1 679966838 SFPFLBUFQBCYFJ-ZDUSSCGKSA-N 431.440 2.437 0 40 IEAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)NCCCc1nnc2ccccn12 1565524822 OVZPFMXEAXTNGL-UHFFFAOYSA-N 433.512 2.373 0 40 IEAB CCCNC(=O)N[C@@H]1C[C@H](C(=O)NCc2ccccc2)[C@@H](O)[C@H]1c1cnc(C2CC2)[nH]1 2332241891 CGWDMKSZTBLQRO-ONCXSQPRSA-N 425.533 2.146 0 40 IEAB COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)NC(C)(C)CO 2380174 PGLROZLUUZKITB-UHFFFAOYSA-N 441.513 2.311 0 40 IEAB COc1cc(OC)c(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC 3370053 POYSRFQLRYPWKL-UHFFFAOYSA-N 430.457 2.345 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 3557140 AXRTZFJCFWNBGE-RUDMXATFSA-N 444.509 2.013 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H](Cc1ccccc1)n1cnnn1 9252656 SBLOQLGRZGYMRQ-HXUWFJFHSA-N 440.529 2.270 0 40 IEAB CCCCc1nc(SCC(=O)Nc2cccc(OC)c2)c2c(=O)n(C)c(=O)n(C)c2n1 9517429 HEYHASNZAKUDAA-UHFFFAOYSA-N 443.529 2.109 0 40 IEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9740149 GJXYITFXHFXKGJ-KRWDZBQOSA-N 435.480 2.254 0 40 IEAB COc1cc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc(OC)c1OC 9884089 RZUGOOSRJNMQKY-UHFFFAOYSA-N 434.420 2.105 0 40 IEAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N[C@@H]4C=CS(=O)(=O)C4)cc3)cc2c1 12322405 UXDFRMZNIUBVKR-MRXNPFEDSA-N 441.461 2.274 0 40 IEAB CC(C)N(C(=O)COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccccc1 12624397 MYVGJWPLSZKJDY-HNNXBMFYSA-N 429.498 2.098 0 40 IEAB NS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccc2Cn2cccn2)c1 12850743 OCLAYENACXWFFJ-UHFFFAOYSA-N 449.330 2.271 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccccc1Br 12927349 ZXHYPUGJNRGVJI-UHFFFAOYSA-N 440.319 2.034 0 40 IEAB CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)CC(=O)Nc1c(F)cccc1F 15103710 YPDNXGBTQOPWJQ-UHFFFAOYSA-N 434.399 2.302 0 40 IEAB COc1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)Cc2cn(C)nc21 19701587 FOBUWHNHEQOTLD-KRWDZBQOSA-N 426.498 2.356 0 40 IEAB CCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OCC 20038583 SXUUGAWMFZOESZ-NVXWUHKLSA-N 427.567 2.180 0 40 IEAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCc1ccc(Cl)cc1 20744282 DSFICRXVVUPNJK-UHFFFAOYSA-N 435.933 2.486 0 40 IEAB CCN1CCN(C(=O)[C@@H](C)Sc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CC1 21738229 VASHLQLHEGDJHH-CYBMUJFWSA-N 436.534 2.407 0 40 IEAB COCCN(CC(=O)Nc1cccc(C)c1C)CC(=O)N(CCC(N)=O)c1ccccc1 23053636 CYIJSNVHMVKVJB-UHFFFAOYSA-N 440.544 2.099 0 40 IEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 23820252 FLHOPGAVPGWBGA-HXUWFJFHSA-N 433.367 2.422 0 40 IEAB CS(=O)(=O)N1CCC(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 32771042 XTIQLIHIUSDNPH-UHFFFAOYSA-N 425.514 2.088 0 40 IEAB Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)c1 32825181 LGDUHUIEFWBTIC-UHFFFAOYSA-N 428.558 2.140 0 40 IEAB COc1cccc(C[C@@H](C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)n2nnnc2C)c1 48366551 GZDFQOXXXNITKQ-ICSRJNTNSA-N 446.515 2.223 0 40 IEAB Cc1nc(-c2nnc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)o2)cs1 56904598 XBKBOMTWOYHPRM-NSHDSACASA-N 425.517 2.355 0 40 IEAB CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3ccc(OCC)cc3)NC(=O)N2)C1 67287165 UTOKUDLUBBLBBZ-JXFKEZNVSA-N 445.516 2.141 0 40 IEAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c1CCO 67316844 JKVKPTAIEJAHNG-UHFFFAOYSA-N 439.443 2.303 0 40 IEAB CCN(CC)CCN(CC)C(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1ccccc1N2 72326574 MDJFBUDALUJUJT-UUOWRZLLSA-N 443.592 2.130 0 40 IEAB COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220230518 VQXZSSUXFKAWGV-OAHLLOKOSA-N 436.530 2.226 0 40 IEAB CN(c1cccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1)S(C)(=O)=O 222415582 GRDKJFCVUHVFHN-KRWDZBQOSA-N 431.514 2.244 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223001886 FVUAQSCXHGENRW-OAQYLSRUSA-N 445.585 2.477 0 40 IEAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1=O 643557452 WFFIWIFUUSMYNL-DEOSSOPVSA-N 430.545 2.274 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@H]2CN(c3ccccn3)C[C@H]21 1889237071 KUBIGBHPIBRHMJ-AZUAARDMSA-N 426.542 2.217 0 40 IEAB COc1cc2cc(CN(CCO)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1OC 895335 TVPQNQIDVZMFRZ-UHFFFAOYSA-N 427.526 2.414 0 40 IEAB Cn1c(=O)[nH]c(=O)c2c1nc(N(CCO)Cc1ccccc1)n2CCCc1ccccc1 1275402 ZIIICUJWRNKEQR-UHFFFAOYSA-N 433.512 2.055 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccccc1 2697415 FBLRMKXMLGABIY-HQMFNGAOSA-N 445.500 2.121 0 40 IEAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCn1nnc2ccccc2c1=O 3279479 SFRZWHIXODFWKY-QGZVFWFLSA-N 446.916 2.497 0 40 IEAB O=C1NC(=O)[C@H](CC(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1 4100247 GFIRRYBPZSBTPG-SFHVURJKSA-N 426.517 2.379 0 40 IEAB Cc1nnc(SCCn2c(N(C)Cc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)s1 6444709 JLHNQVAJADDLJN-UHFFFAOYSA-N 443.558 2.012 0 40 IEAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@@]4(CCOc5ccccc54)C3=O)n2)cc1 8779699 OWZAKNJLPYBUOW-JOCHJYFZSA-N 431.456 2.236 0 40 IEAB CSCC[C@@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)O 9058330 IASAJVBNAROAHJ-CKXDQPNJSA-N 432.454 2.102 0 40 IEAB Cc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)c1 9584682 AVAMIFMOANXZIB-UHFFFAOYSA-N 432.498 2.120 0 40 IEAB COc1cccc(-n2nnc3c(N4CCN(C(=O)Cc5cccc(C)c5)CC4)ncnc32)c1 9851063 SXXXIHUINGEJEG-UHFFFAOYSA-N 443.511 2.419 0 40 IEAB CNC(=O)NC(=O)[C@H](OC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O)c1ccccc1 9882612 LUXCAFCRXHFMGQ-ZWKOTPCHSA-N 437.452 2.047 0 40 IEAB Cc1nnc(NC(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)s1 12233253 WSBXUDNEXHQPTH-LBPRGKRZSA-N 425.499 2.418 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1C 12818035 DQDKJTWELULCEK-UHFFFAOYSA-N 425.510 2.292 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12832135 WMJRHSLWFXMUGC-LJQANCHMSA-N 442.497 2.241 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 12986491 TXAHKMZAYKWNMX-MHECFPHRSA-N 437.496 2.451 0 40 IEAB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1 13597828 ZIKLDZAGSMECHS-UHFFFAOYSA-N 436.559 2.292 0 40 IEAB O=C(CN1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)CC1)Nc1cccc(F)c1 14306143 NBJRVVOGNDEHFP-GOSISDBHSA-N 438.503 2.500 0 40 IEAB COc1ccc(C(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC 15379069 JZVWOAMUCDJKTI-UHFFFAOYSA-N 430.501 2.062 0 40 IEAB CCn1c(=O)n(CC(=O)N2CCCCCC2)c2c(C(N)=O)nc(-c3ccc(C)s3)nc21 19524216 LQOVOJXPDNBQRB-UHFFFAOYSA-N 442.545 2.151 0 40 IEAB CNc1cc(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)nc(CN(C)C(C)=O)n1 19710108 DRYYQCMTEYYAIW-UHFFFAOYSA-N 439.516 2.288 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)nc2C)c1 19763420 GEGHQSNQAUAGGL-KRWDZBQOSA-N 434.500 2.467 0 40 IEAB CCCn1cc(S(=O)(=O)N2CCC[C@H]2c2nc(C)ncc2C(=O)NC2CC2)c(C)n1 19766728 PKZSCBKTDJBFQE-KRWDZBQOSA-N 432.550 2.118 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(OC)c(OC)c1 19818072 GSEOROMSUQVCRU-RTWAWAEBSA-N 437.496 2.468 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)cc1 23042625 VJORCHOMOMYZRP-NRFANRHFSA-N 442.537 2.425 0 40 IEAB CC1(C)CC(NC(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)CC(C)(C)N1 23216223 XEUJZNCADIQRDO-UHFFFAOYSA-N 430.593 2.429 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 23404416 SCALRUTVWBFCKS-UHFFFAOYSA-N 426.491 2.387 0 40 IEAB CN(Cc1ccc(Cl)s1)C(=O)Cn1c(=O)c2ccc(C(F)(F)F)nc2n(C)c1=O 31452080 YFDQWHYDPOENKL-UHFFFAOYSA-N 446.838 2.488 0 40 IEAB NC(=O)c1ccc(-c2nnn(CC(=O)Nc3cc(C4CC4)nn3-c3ccccc3)n2)cc1 31763414 PZDDVFHVFPCUED-UHFFFAOYSA-N 428.456 2.141 0 40 IEAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 36395034 DWFBHLHENSKVNF-IEBWSBKVSA-N 428.510 2.240 0 40 IEAB CCOC(=O)c1cc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)cc(C(=O)OCC)c1 40129231 RFMKQZXEFXPPPD-UHFFFAOYSA-N 425.445 2.276 0 40 IEAB O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 40149833 SSJOMRJQPITZMS-CYBMUJFWSA-N 431.356 2.225 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)C1 57428751 MCXDDIVFTYEVLQ-OAHLLOKOSA-N 441.509 2.016 0 40 IEAB O=S(=O)(Cc1ccc(Br)cc1F)NC1CCN(c2ncccn2)CC1 58245555 QXULKYIZWYPNPN-UHFFFAOYSA-N 429.315 2.467 0 40 IEAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3CO)cc2)nn1C 72321117 PRMWHOPWODDUBW-FYYLOGMGSA-N 434.496 2.442 0 40 IEAB biogenic,in-vitro COc1ccc(-c2noc(CN3CCN(Cn4c(=O)n(C)c5ccccc54)CC3)n2)cc1 84314581 NBSPWUXOMYHSMV-UHFFFAOYSA-N 434.500 2.174 0 40 IEAB CC(C)CCN1Cc2c(C(=O)NC[C@@H]3CCCO3)ncn2-c2ccccc2S1(=O)=O 96062724 BADFAXLOOMEUSX-INIZCTEOSA-N 432.546 2.332 0 40 IEAB CCc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NC[C@H]2CCCO2)Cn2ccnc23)o1 96243759 ZZQAFMSPQOYOTQ-UYAOXDASSA-N 428.533 2.224 0 40 IEAB CN(C)C(=O)[C@]12CCCN(C(=O)c3ccc(F)cc3)C[C@H]1CN(Cc1cnn(C)c1)C2 96251294 IANZYWHTSXKXDD-XXBNENTESA-N 427.524 2.002 0 40 IEAB COCC(=O)N1CCc2c(nc3cc([C@H]4CCCN4Cc4ccccc4F)nn3c2O)C1 100234442 IRKZGMLTVKCROW-HXUWFJFHSA-N 439.491 2.442 0 40 IEAB O[C@]1(Cn2cccn2)CN(Cc2ccccc2)CCN(Cc2ccnc(N3CCCC3)n2)C1 257225220 FFIVOPGZBCCYHU-RUZDIDTESA-N 447.587 2.022 0 40 IEAB CCn1cc(S(=O)(=O)N2CCO[C@@H](c3cncc(-c4cccc(OC)c4)n3)C2)c(C)n1 257286501 PLVDYNWRMSINMB-HXUWFJFHSA-N 443.529 2.439 0 40 IEAB CN([C@@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1)S(C)(=O)=O 260843424 RNYOYISVIOQCTR-YLJYHZDGSA-N 445.541 2.167 0 40 IEAB CCOC(=O)c1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1 408550846 FTWKEVYZAAAOOA-UHFFFAOYSA-N 448.273 2.319 0 40 IEAB Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c1 408661402 VROGEQKISZIOFP-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2ccccc2)c(OC)c1 408975238 KZTRTTFLYLLFIL-IBGZPJMESA-N 448.541 2.190 0 40 IEAB C[C@H]1c2nc(CC(=O)N3CCOCC3)cn2CCN1C(=O)C12CC3CC(CC(C3)C1)C2 585097705 MXIHWZBQJGXHQE-RNXZQOMOSA-N 426.561 2.404 0 40 IEAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147651 MPNHBKYOBVEAGP-CQSZACIVSA-N 445.497 2.033 0 40 IEAB COc1cc(CN(C)C[C@]2(O)CCN(c3ccccn3)C2)ccc1OCCCN(C)C 585274326 VGWXHMNPAUXGOQ-XMMPIXPASA-N 428.577 2.494 0 40 IEAB Cc1ccnc(NC[C@H]2CCN([C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C2)c1 590935781 XECDNMRVCWIIRI-ZWKOTPCHSA-N 445.589 2.401 0 40 IEAB O=C(c1cc[nH]n1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575428 RVCUFPFHQSXUGI-UHFFFAOYSA-N 426.517 2.330 0 40 IEAB COC(=O)[C@@H](CCCCNC(=O)COc1ccccc1)NC(=O)COc1ccccc1 6142520 KKEQXMISLIUQMZ-HXUWFJFHSA-N 428.485 2.089 0 40 IEAB O=c1[nH]c2cc3c(cc2cc1CN(CCCO)C(=S)NCc1ccco1)OCCO3 6445906 PPYCIMOHSKGJDP-UHFFFAOYSA-N 429.498 2.151 0 40 IEAB CCOC(=O)C1=NN[C@@]2(c3ccc(Cl)cc3)C(=O)N(c3ccccc3OC)C(=O)[C@@H]12 8451607 OPVSWHGRCRQCOW-IIBYNOLFSA-N 427.844 2.256 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N)C2=O 8704837 RFAZLJNSWHQJFP-UHFFFAOYSA-N 443.287 2.264 0 40 IEAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@@H]2C(=O)N(Cc3ccncc3)C[C@]23C=C[C@H]1O3 8792469 JVWWLZIATOOHAQ-WTEVXDJOSA-N 428.492 2.204 0 40 IEAB biogenic CN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9047908 WRMRVMKDQUGFCQ-SFHVURJKSA-N 447.532 2.001 0 40 IEAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)N[C@H]1CCS(=O)(=O)C1 9612838 AYJRHSNNQGXGQX-ZDUSSCGKSA-N 430.507 2.423 0 40 IEAB O=C(CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O)Nc1nc(-c2ccccn2)cs1 9671468 ZUJMIABIXZOAIY-OAQYLSRUSA-N 435.465 2.373 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 12194614 SEQGLOHRKGZWBF-UHFFFAOYSA-N 446.481 2.442 0 40 IEAB COC(=O)c1ccc(N2C[C@H](C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)CC2=O)cc1 12391592 PYIVWGZFDQPETM-ZWKOTPCHSA-N 447.495 2.275 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1C 12554930 NSLVNTJRZJVWEG-OAHLLOKOSA-N 429.473 2.439 0 40 IEAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1C 12799836 FIXOCUAANYJYLO-UHFFFAOYSA-N 433.530 2.263 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2c(C)cccc23)c1 12890066 NRVIXZWDGPUGHO-FNPWNURISA-N 425.485 2.157 0 40 IEAB biogenic O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)NCC1(N2CCOCC2)CCCCC1 12906080 UWWNOBDTPVQALJ-UHFFFAOYSA-N 442.604 2.488 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)NC1CCCCC1 12976981 SHVLQZNGVRCMJZ-UHFFFAOYSA-N 444.395 2.204 0 40 IEAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2n[nH]c(=O)[nH]2)C1 19528565 GXSGETHJBYWEFM-DEOSSOPVSA-N 433.512 2.366 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)C1CCN(C(C)C)CC1)C2 19710644 LUIZGHVZKPTETN-UHFFFAOYSA-N 442.608 2.249 0 40 IEAB O=C(NCCNC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1cccc(Br)c1 20745726 CXJXAPCPNSSCLX-UHFFFAOYSA-N 429.274 2.415 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCCn1nc(C)cc1C 22412731 FAVBINWUFGVTFV-LJQANCHMSA-N 438.619 2.415 0 40 IEAB Cc1c(C(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)cnn1-c1ccc(O)nn1 27091411 DDQLAXRBWHFYDJ-CQSZACIVSA-N 432.444 2.325 0 40 IEAB O=C(O)CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2C2(CCCCC2)[C@H]31 32594705 FUPMLKHYFHMFNU-VMFVLUETSA-N 448.566 2.454 0 40 IEAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 32845644 NEQIDTNMUNAZNQ-GOSISDBHSA-N 445.516 2.449 0 40 IEAB COc1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)cc1OC 33935935 XFIDXAICANIFSG-RKVPGOIHSA-N 425.363 2.203 0 40 IEAB CCCS(=O)(=O)NC1CCN(c2nc(C)nc3sc(C(=O)OC)c(C)c23)CC1 40083211 BETASJYIWVJUNL-UHFFFAOYSA-N 426.564 2.393 0 40 IEAB COc1cc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc(Cl)c1OC 40135091 UATDMQIZMGLBBM-UHFFFAOYSA-N 449.916 2.264 0 40 IEAB CCC(=O)N1CCC[C@@H](C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)C1 40146517 JGYPWPLCXVBILL-MRXNPFEDSA-N 437.562 2.457 0 40 IEAB O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)Nc1cc(F)ccc1F 49409254 ILPSTMBVLAMBPV-UHFFFAOYSA-N 425.457 2.330 0 40 IEAB O=C(Nc1ccc(Br)cn1)C1CCN(C(=O)NCCCn2ccnc2)CC1 58157632 TZJJDJYVLHSKTR-UHFFFAOYSA-N 435.326 2.491 0 40 IEAB Cc1cc(-c2cc(=O)n(CC(=O)N3CCN4CCC[C@H]4C3)nc2-c2cccs2)on1 72337279 XNWDAPCBPOHOFP-HNNXBMFYSA-N 425.514 2.242 0 40 IEAB CCCN1CCN(C(=O)[C@H]2CC(=O)N(C)C2)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 72351905 KUFCCZSQEOTFGJ-FCHUYYIVSA-N 434.540 2.219 0 40 IEAB C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100538045 DVSSZZYKNXCIRL-ZMPPFODHSA-N 432.270 2.371 0 40 IEAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(CC(=O)Nc1ccc(N4CCOCC4)cc1)[C@H]3C2 101753872 JYOBJNXXJWTXBQ-WVBUVRCRSA-N 433.574 2.302 0 40 IEAB CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 205113177 IFTJEMBCNXZLST-UHFFFAOYSA-N 449.536 2.462 0 40 IEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)n2)cc1 223906934 KEUKONUSZHREMJ-UHFFFAOYSA-N 432.458 2.191 0 40 IEAB O=C1CCCN1c1ccc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)cc1 224735783 ZJDAXASXPKEXPM-UHFFFAOYSA-N 429.542 2.124 0 40 IEAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225731968 GGDPWLCRALPGOA-UHFFFAOYSA-N 432.472 2.401 0 40 IEAB CCCOc1ccc(-c2nc3sc(=Cc4ccc(OCC(N)=O)cc4)c(=O)n3n2)cc1 254381891 WMHFEJLELCQAAP-UHFFFAOYSA-N 436.493 2.019 0 40 IEAB Cc1nc(N)cc(C2(C)CCN(C(=O)[C@]3(Cc4ccc(F)cc4)CN(C)CCO3)CC2)n1 257222028 DRPGVSUPYKWNSX-DEOSSOPVSA-N 441.551 2.330 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@@H](c2ncncc2-c2ccnc(N)c2)C1 257319917 VUOZLKDCBRUOSI-CQSZACIVSA-N 429.477 2.447 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 390832159 XRSMCZYYSJAYSJ-UHFFFAOYSA-N 439.534 2.488 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 408643602 AVKDQBMINZQYNC-OAHLLOKOSA-N 432.498 2.229 0 40 IEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 575426112 MURZKEJVLNOKCJ-QGZVFWFLSA-N 438.527 2.036 0 40 IEAB NC(=O)c1cc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)cc(C(N)=O)c1 3430948 WVWNTMALYCMJNG-UHFFFAOYSA-N 431.448 2.271 0 40 IEAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc2c(s1)CCCC2 3437464 CUTUNFLNFGXTFI-UHFFFAOYSA-N 448.566 2.317 0 40 IEAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)O[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 8880045 OFCXDEVBVUKANP-OPAMFIHVSA-N 440.496 2.347 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCc1ccccn1 9220768 UYQMWUOZLRXLEZ-INIZCTEOSA-N 426.336 2.463 0 40 IEAB O=C(NCCc1ccc(O)cc1)C(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21 9341505 OLTRJHHAXXJHOR-QFIPXVFZSA-N 429.476 2.455 0 40 IEAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccccc2)cc1N(C)S(C)(=O)=O 10272077 GNBOCCZIXKLRDI-UHFFFAOYSA-N 439.559 2.006 0 40 IEAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC1)CNC2=O 12086677 FRVLBLRDILQVOX-XVTZWQNCSA-N 443.544 2.073 0 40 IEAB Cc1ccc([C@@]23CCC(=O)N2[C@@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)CS3)cc1 13150153 YCBPYBOXKHJNSA-XLIONFOSSA-N 431.539 2.172 0 40 IEAB CCOC(=O)c1cnn2c(-c3cccc(N4C(=O)[C@H]5[C@@H]6CC[C@@H](O6)[C@@H]5C4=O)c3)ccnc12 13960372 OUQYAYDPARSMDI-RDGPPVDQSA-N 432.436 2.240 0 40 IEAB O=C(NCCCCN1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCO2 17178449 ZEVURDGLYPNRAB-OAQYLSRUSA-N 425.485 2.324 0 40 IEAB CCCN1C(=O)NC2(CCN(S(=O)(=O)c3ccc4cccc5c4c3CC5)CC2)C1=O 17271989 VSGYAOJRPZXWOT-UHFFFAOYSA-N 427.526 2.424 0 40 IEAB CCc1ccc([C@H](CNC(=O)CCNC2=NS(=O)(=O)c3ccccc32)N(C)C)cc1 18017151 MGPCSPUYHVDLTM-IBGZPJMESA-N 428.558 2.097 0 40 IEAB O=C(c1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCS(=O)(=O)CC1 19372515 ZVIYFYWGPJOMID-NHCUHLMSSA-N 444.528 2.014 0 40 IEAB COc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c2cc1OC 19550911 SCMAAIPDBQOVTE-HXUWFJFHSA-N 440.504 2.069 0 40 IEAB Cc1ncc(C(=O)N2CCO[C@H](c3c(C(=O)NCCO)sc4ccccc34)C2)c(C)n1 19696936 HKCCVRUXVXYEGR-KRWDZBQOSA-N 440.525 2.244 0 40 IEAB COc1ccc(CN(C)CC(=O)N2CCC[C@@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 19755958 IRDBAZYTRRVNTF-HXUWFJFHSA-N 425.533 2.291 0 40 IEAB COc1cc([C@H]2CC(=O)c3c(C)nc(N4CCN(C=O)CC4)nc3C2)cc(OC)c1OC 20101571 XEUUESLOCBJGFM-OAHLLOKOSA-N 440.500 2.002 0 40 IEAB Cc1cc(/C=C/C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1Cc1ccco1 23995290 LYUUGISYQMTSQF-XJDXJNMNSA-N 431.558 2.091 0 40 IEAB CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3cnn(CC)c3C)C2)c(C)n1 36611195 UYLOKVBCKFKKHH-WMLDXEAASA-N 436.582 2.014 0 40 IEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)cc2)nc(C)n1 39345289 JWKHEYBKKYDHPM-CFGMGRTJSA-N 442.497 2.356 0 40 IEAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3=NN(c4ccccc4)C(=O)[C@@H](C)N3)c2)n1 48277620 DIMRJMSLOOUEGQ-CQSZACIVSA-N 430.468 2.276 0 40 IEAB O=C(NC1CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)CC1)c1ccc2c(c1)OCO2 49406097 ZTKTZCZNHLGQOR-UHFFFAOYSA-N 437.431 2.170 0 40 IEAB CN(C)C1(CNC(=O)C2=C(c3ccccc3)N3CCS(=O)(=O)N=C3S2)CCCC1 58080398 QLVMCUQEEZWKMO-UHFFFAOYSA-N 434.587 2.094 0 40 IEAB CC(C)[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1)c1nc(-c2ccncc2)no1 58403499 JYLWBXYPZPFQBO-PBHICJAKSA-N 433.472 2.283 0 40 IEAB O=C(NCCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)C1CCCC1 60334852 OANAWRFJRLFNKO-QGZVFWFLSA-N 436.350 2.476 0 40 IEAB CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCc2ccccc2C(=O)N3)CC1 72334396 UTWGDUHCDMJMLN-JYFHCDHNSA-N 432.568 2.007 0 40 IEAB CCN1CCN(C(=O)CCn2cnnn2)[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 72351936 GZTQJKOWUFMKPA-NRFANRHFSA-N 436.491 2.171 0 40 IEAB CC(C)CNC(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2S(C)(=O)=O 96144926 FFLPTNLSKINOIF-UHFFFAOYSA-N 445.589 2.482 0 40 IEAB CCc1nn2c(C)c(C(=O)N3CCN(CC)CC3)nnc2c1-c1ccc(OC)c(OC)c1 96301121 QCKCKFYSDITOHP-UHFFFAOYSA-N 438.532 2.457 0 40 IEAB O=C(c1ccccc1F)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 97137023 GXKQYLVTCWBSLQ-FQEVSTJZSA-N 435.459 2.287 0 40 IEAB Cc1n[nH]c(SCCNC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)n1 222868252 MJAMPGDJRXOMRT-UHFFFAOYSA-N 425.580 2.031 0 40 IEAB CN(CC(=O)NCc1ccccc1CN1CCCC1=O)S(=O)(=O)c1ccc(Cl)cc1 224020006 MANRWFCUQMILPC-UHFFFAOYSA-N 449.960 2.399 0 40 IEAB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 260828822 DIVNUZITUADPOW-CQSZACIVSA-N 448.497 2.220 0 40 IEAB CC(=O)N1CCc2ncnc(-c3ccccc3)c2C[C@H](C(=O)NCCc2cccnc2)C1 306129304 IAHHFDFDHNGTOP-NRFANRHFSA-N 429.524 2.461 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC(C)(C)C)c1ccccc1 408621824 PCCOMYHYEGULQP-UHFFFAOYSA-N 432.546 2.466 0 40 IEAB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(OC)ccc2OC)cc1 408661091 DEECIDSGJSDRIY-UHFFFAOYSA-N 444.440 2.391 0 40 IEAB OC1(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCN(c2ccccc2F)CC1 585287518 NOCZGYIWIGQHPO-XMMPIXPASA-N 448.510 2.438 0 40 IEAB COCC(=O)N1CCCN(C)CCN(S(=O)(=O)c2ccccc2)Cc2ccccc21 643558864 VQQVANLNKXEKMF-UHFFFAOYSA-N 431.558 2.192 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1ccccc1 634176 OIYGAQYHKVFFEZ-CNSVBDKNSA-N 448.500 2.334 0 40 IEAB CCC[C@]1(C(=O)O)N[C@H](c2cc(OC)ccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 1078269 UGJJHDCNDKZJEW-KTIHBUSBSA-N 438.480 2.470 0 40 IEAB Cc1ccc(NC(=O)CNc2ccccc2N2CCOCC2)cc1S(=O)(=O)N(C)C 5941900 OAWRVJVZFLFZAY-UHFFFAOYSA-N 432.546 2.133 0 40 IEAB CN(CCOc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 9255929 CEUWJNQCKAXVTD-UHFFFAOYSA-N 432.542 2.178 0 40 IEAB Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 9263837 RJELAIXZOUJRFA-UHFFFAOYSA-N 438.513 2.315 0 40 IEAB O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]1 9588828 GUHRVBSXQBJRKO-UHFFFAOYSA-N 426.420 2.386 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1C 9823267 UCZQZCPGSWAZTH-UHFFFAOYSA-N 428.363 2.415 0 40 IEAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)Nc1ccc(F)cc1Cl)C2=O 10055692 SKKVVQLYMOESIL-UHFFFAOYSA-N 425.844 2.462 0 40 IEAB Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(C)c3cc12 11865650 FIPJAFAZQCIJAX-MRXNPFEDSA-N 443.456 2.107 0 40 IEAB biogenic COc1ccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1S(=O)(=O)N(C)C 12689217 IDZNVLWZGKYUPF-HNNXBMFYSA-N 431.514 2.475 0 40 IEAB O=C(NC1=NCCS1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 13019753 RJLKRYSENMFZFI-UHFFFAOYSA-N 432.365 2.456 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(Cl)c3)CC2)cc1 13055872 BJXGGXVYSHEDDR-UHFFFAOYSA-N 435.933 2.488 0 40 IEAB O=C(NCc1ccc(Cl)cc1)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 13139653 FWOUZRNEKCOGOQ-NVXWUHKLSA-N 429.325 2.434 0 40 IEAB COc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(C(=O)c3ccco3)CC2)cc1OC 13504333 YJDHUZZXSUUORN-FQEVSTJZSA-N 440.504 2.412 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 14236505 YEVSYAQOTKWPFV-KRWDZBQOSA-N 447.513 2.363 0 40 IEAB O=C(OCc1nnnn1-c1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 17530897 CAFRZMZIFYFPJN-UHFFFAOYSA-N 445.476 2.333 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)CNS(=O)(=O)/C=C/c1ccc(C)cc1 18113481 ZHQGHNXJTPOPNF-MDZDMXLPSA-N 434.514 2.227 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 19344736 WMEHDQOBCIDANR-OAHLLOKOSA-N 435.483 2.332 0 40 IEAB COCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 19593208 YDBUHSQCRPOUTK-KRWDZBQOSA-N 428.508 2.210 0 40 IEAB CN(C)C(=O)c1ccc(C2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)nc1N 19765944 TVTDOYJHGIJRQO-IBGZPJMESA-N 449.555 2.120 0 40 IEAB COC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009958 LPBBIDUWRGLRQQ-RHSMWYFYSA-N 440.949 2.389 0 40 IEAB CN1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccc3c(c2)OCO3)CC1 22798271 PYCVMAXXJHSNNO-GOSISDBHSA-N 437.949 2.336 0 40 IEAB CCc1sc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C 24748202 JVBKBFZACQZSFQ-UHFFFAOYSA-N 449.598 2.190 0 40 IEAB CC(C)(C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)c1ccccc1 24749316 NMDJJPTUMMJSCX-QGZVFWFLSA-N 436.555 2.068 0 40 IEAB CCNC(=S)N1CCN(CCn2c(OCC)nc3sc4c(c3c2=O)CCCC4)CC1 28559789 FWQZBUQXXUTXFM-UHFFFAOYSA-N 449.646 2.248 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(-n4cncn4)nc3)C2)s1 32769354 HZSUWTQLQUEYSS-CQSZACIVSA-N 432.531 2.072 0 40 IEAB C[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1)n1cncn1 48273571 GYOPXOAYWOMFID-IRXDYDNUSA-N 439.520 2.344 0 40 IEAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2cc(-n3cnnn3)ccc2C)C(C)C)c1 59284174 VPPGRPLQROEWRK-HXUWFJFHSA-N 438.488 2.381 0 40 IEAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@H]1c1cccc(F)c1 67287242 WYRYXHDAAKEPEG-IBGZPJMESA-N 433.480 2.272 0 40 IEAB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC3CC3)C2)C1 69950897 AQUHYTGJKIJGKK-GJZGRUSLSA-N 449.349 2.280 0 40 IEAB Cc1c([C@H]2C[C@H](C(=O)Nc3cc(Cl)ccc3Cl)N(C)S(=O)(=O)N2)cnn1C 72335065 XFCVRXLXCNAGPB-UKRRQHHQSA-N 432.333 2.254 0 40 IEAB COc1ccc(-c2cc(C(=O)NCCc3ccncc3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 96125578 BQHWVPQBFCYESY-GOSISDBHSA-N 440.525 2.286 0 40 IEAB O=C(NCC(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1)OCc1ccccc1 220865385 CEFBRFOAIDNWJD-QGZVFWFLSA-N 436.472 2.234 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1c2ccccc2C[C@H]1C 222792890 NUKJTXQZVUZUEI-QGZVFWFLSA-N 430.526 2.373 0 40 IEAB Cc1cc(S(=O)(=O)NC2CC2)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 223056996 ZYTZHJXDTQKYFO-UHFFFAOYSA-N 447.532 2.302 0 40 IEAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1 223875119 UKBNYMPXSKAPGP-UHFFFAOYSA-N 448.541 2.387 0 40 IEAB CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 224381387 HRKSPVBGZWMZSP-UHFFFAOYSA-N 425.536 2.319 0 40 IEAB COCCNC(=S)Nc1nc(Sc2ncccn2)cc(Sc2ncccn2)n1 225899041 BLVBVJRITFAQGK-UHFFFAOYSA-N 432.560 2.292 0 40 IEAB Cc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)on1 257247301 IYJAYRWEFKMLSZ-PXNSSMCTSA-N 444.507 2.196 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)c1 260830826 TVFLXBBQGSHONK-SFHVURJKSA-N 429.542 2.371 0 40 IEAB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1 408650984 COXBEDLKEJJWLY-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 540473888 XACREQOKJVOQNG-UEQSERJNSA-N 428.488 2.463 0 40 IEAB CCN(CC)CCCN(CC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 575424503 TUWJNIOUTFUCKE-GOSISDBHSA-N 426.579 2.108 0 40 IEAB Cc1ccc(NC(=O)N2CCC3(CC2)N(CC2CC2)C(=O)[C@H]2CN(C)CCN23)cc1F 1772595409 UANIEBAURCITCZ-HXUWFJFHSA-N 429.540 2.326 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1OC[C@H](C)N)C(C)C)C(=O)O 2037879748 NQSJTEZEPKUUSW-LUVWLHFXSA-N 441.956 2.436 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)Cc5ccccc5)C[C@@H]4C3)ncn2)n1 2086896870 RFIOAAZLXCNOIQ-PMACEKPBSA-N 438.557 2.177 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 854920 IXRYBXCSVHORIN-XGHXRCDJSA-N 440.477 2.018 0 40 IEAB COc1ccc(CCN(C)C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1OC 3334986 KHBQWNBCIDHWLE-HSZRJFAPSA-N 425.485 2.172 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(OC)c3)cc2C1=O 3522598 VZRSVUCRTBNPJP-UHFFFAOYSA-N 426.425 2.123 0 40 IEAB CCCS(=O)(=O)N1CCC[C@H](c2nc(O)c3nnn(Cc4ccc(F)cc4)c3n2)C1 6161913 GWSDIWSKLXPWHA-AWEZNQCLSA-N 434.497 2.034 0 40 IEAB Cc1cc(=O)oc2cc(NC(=O)[C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]4OC(C)(C)O[C@@H]34)ccc12 8433015 CXIGOAJPSBUGFJ-ZMIKWESLSA-N 431.441 2.436 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CCC(=O)N2[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 9033977 CGIPXYGWHXZFDV-AOMKIAJQSA-N 440.452 2.189 0 40 IEAB biogenic CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(Cc1cccnc1)c1ccc(Cl)cc12 9422697 CDMNTHPICIMVDF-IBGZPJMESA-N 429.889 2.437 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCC1 9448351 HCCFURGRJBLPMC-MCFFVMPBSA-N 443.544 2.400 0 40 IEAB COc1cc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc(OC)c1 9674530 UQWSLXNFMAJWOM-MSOLQXFVSA-N 443.847 2.289 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1Br 9987326 OFVJILPDUWCOQL-UHFFFAOYSA-N 445.360 2.462 0 40 IEAB C[C@@H](C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1)n1nnc2ccccc21 12085499 FHYOSYKZIZRRKH-FYSMJZIKSA-N 446.511 2.326 0 40 IEAB COC(=O)[C@](NC(C)=O)(N(Cc1ccc(OC)c(OC)c1)C[C@@H]1CCCO1)C(F)(F)F 12364198 LGBCFKQRFMNWSL-KXBFYZLASA-N 448.438 2.253 0 40 IEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 12569203 VUTLGDBGIPHZJA-UHFFFAOYSA-N 448.545 2.054 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(-c2nnco2)cc1 13146191 QCJGILIZZLPOGE-UHFFFAOYSA-N 432.458 2.013 0 40 IEAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 13732438 OGUDAVLUSBTFQS-AWEZNQCLSA-N 438.527 2.191 0 40 IEAB COc1ccc(OC)c(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)c1 15675212 UXNWAXUVLYPNAU-UHFFFAOYSA-N 429.860 2.368 0 40 IEAB Cc1ccc2oc(=O)n(CC(=O)NCCn3nc4c(C)cc5ccc(C)cc5n4c3=O)c2c1 19234285 SEKKSXBUYIHSRN-UHFFFAOYSA-N 445.479 2.299 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN(CC(=O)Nc3ccccc3F)C2)n1 19709569 FPCKNMAUPGCTBC-QGZVFWFLSA-N 442.539 2.478 0 40 IEAB Cc1nccn1C[C@H]1CCCN(C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)C1 19750044 RAZCRQCHVYVPNO-LJQANCHMSA-N 439.560 2.355 0 40 IEAB COc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23105426 YADQISHVLHGUED-UHFFFAOYSA-N 431.876 2.360 0 40 IEAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@H]2COc3ccccc3O2)C1=O 24971767 KIZHVYFAFZMXDG-WNSKOXEYSA-N 435.436 2.156 0 40 IEAB CC(C)c1ccc(NC(=O)Cn2nc3ccc(S(=O)(=O)C(C)(C)C)nn3c2=O)cc1 33268172 WNNBPMXRVPQZDH-UHFFFAOYSA-N 431.518 2.225 0 40 IEAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCC(=O)O 33776446 FOXZLVZAVNQFJV-LICLKQGHSA-N 448.497 2.453 0 40 IEAB Cc1ccc(NC(=O)Cn2nc3c(N4CCOCC4)nc4ccccc4n3c2=O)c(C)c1 35425656 FROQYHPXHLTYQW-UHFFFAOYSA-N 432.484 2.136 0 40 IEAB O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H](c1ccc(F)cc1)c1cccs1 36007166 CYXFSUAYTHDBHF-RXVVDRJESA-N 431.533 2.416 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc4c(c3)OCCO4)CC2)cc1 36611208 BEGHBGZKRMZFFI-UHFFFAOYSA-N 446.525 2.046 0 40 IEAB CCOc1ccc(N2C(=O)CN(Cc3ccc(OC)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55387460 JYIRYEAJGNRJCT-LEWJYISDSA-N 430.526 2.108 0 40 IEAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccccc2OC)c1 57313284 WLSBARLSBYXERC-UHFFFAOYSA-N 442.541 2.360 0 40 IEAB Cc1cc2ncn(C[C@@H](O)CNC(=O)Cn3c(S)nnc3-c3cccs3)c2cc1C 58063337 VEQLOIYHUVEICJ-AWEZNQCLSA-N 442.570 2.439 0 40 IEAB COc1cc(C(=O)NCc2cccc(CS(N)(=O)=O)c2)ccc1OCc1cscn1 58305119 LBFXNQWEIZRZFX-UHFFFAOYSA-N 447.538 2.449 0 40 IEAB COc1ccc(CCNC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 59515842 HCBFYBPODNRZLD-UHFFFAOYSA-N 430.501 2.129 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)c(C)c1 89614439 CVABMOBPXVFGDE-UHFFFAOYSA-N 431.562 2.374 0 40 IEAB Cc1cccc([C@H](C)CNC(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)c1 89669093 JKJCKHNRCAPAQY-HXUWFJFHSA-N 438.572 2.480 0 40 IEAB Cc1nnc(NC(=O)CCc2nc(CSc3nc(-c4cccnc4)n[nH]3)no2)s1 95481966 WEUCXZVXWHGGOP-UHFFFAOYSA-N 429.491 2.273 0 40 IEAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC(N2CCS(=O)(=O)CC2)CC1 95996821 ISZFCGYHYANFJJ-UHFFFAOYSA-N 435.521 2.135 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O 222951196 OSDJWGKJKBYYSE-MRXNPFEDSA-N 435.521 2.145 0 40 IEAB COc1ccc2c(c1)CN(C(=O)C[C@H]1CCS(=O)(=O)C1)C[C@]1(CCCN(C)CC1)O2 248086658 SBAUAEZAAWZJLS-VGOFRKELSA-N 436.574 2.096 0 40 IEAB CC(C)C[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23 248189269 JRWGMVQNKKWNRY-CYMHYUIHSA-N 444.491 2.159 0 40 IEAB biogenic,in-vitro C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 248239599 GKDVANQPFQFGLX-ZFPINULOSA-N 425.529 2.459 0 40 IEAB CN1CCn2c(C(=O)N3CCCCC3)nnc2C12CCN(Cc1ccc(F)cc1)CC2 306127729 GFSJHIVPMACOIS-UHFFFAOYSA-N 426.540 2.480 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2CC)cc1 408599809 LFCMDLYVMIQCMJ-UHFFFAOYSA-N 433.534 2.038 0 40 IEAB C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C1 408614277 ALGHUEYEECJSOT-CABCVRRESA-N 445.903 2.207 0 40 IEAB Cc1ccc2nc(CS(=O)(=O)[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)cc(=O)n2c1 502602841 WOEBDADBWVVMLX-JKSUJKDBSA-N 425.510 2.284 0 40 IEAB C[C@@H]1C[C@@H](NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)C[C@H](c2ccccc2)C1 1561648887 WJDXTTAVFGPBTC-NUEKZKHPSA-N 428.514 2.285 0 40 IEAB NC(=O)COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cc1 1775979084 ZJJSHLXFSVJDKH-GOSISDBHSA-N 432.523 2.291 0 40 IEAB O=C(OCn1nnc2ccccc2c1=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 3364681 HABPQXWOQSAPIF-DYESRHJHSA-N 440.456 2.022 0 40 IEAB CS(=O)(=O)c1ccc2nnn(OCC(=O)NC(c3ccccc3)c3ccccc3)c2c1 3400043 FWGWTDXXYLRNNC-UHFFFAOYSA-N 436.493 2.169 0 40 IEAB CCN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 8724627 LJLXJTDMRNOVKD-AWEZNQCLSA-N 440.616 2.393 0 40 IEAB CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)c2ccc(Cl)cc2)CC1 9272779 FWUUVUFDESXARV-UHFFFAOYSA-N 429.908 2.206 0 40 IEAB COc1ccc(C(=O)NCc2cn3ccccc3n2)cc1S(=O)(=O)NC1CCCC1 9466952 IRHJVSJORDEWBL-UHFFFAOYSA-N 428.514 2.494 0 40 IEAB CC[C@H](C)n1c(C)c(C)n2c3c(=O)n(CC(=O)OCc4ccccc4)c(=O)n(C)c3nc12 10104296 FTBLMPHYVNZGKZ-AWEZNQCLSA-N 437.500 2.481 0 40 IEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN(c2nccs2)CC1 10270413 YCOJFCPRXWGUBP-UHFFFAOYSA-N 439.467 2.498 0 40 IEAB CCc1cccc(OC[C@H](O)Cn2c(NCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385174 YCRVABCULYKGFL-GOSISDBHSA-N 449.511 2.038 0 40 IEAB COc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 11796327 GTNOUKUNBJVVBN-UHFFFAOYSA-N 435.521 2.106 0 40 IEAB CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1c(F)c(F)c(OC)c(F)c1F 12816854 KHHJBJVLJKKBAD-LLVKDONJSA-N 432.395 2.113 0 40 IEAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1C(N)=O 12944803 BVYXLLHSMHHSFO-UHFFFAOYSA-N 446.573 2.461 0 40 IEAB CCOC(=O)c1cc(CC)sc1NC(=O)CSc1nnc(C2CC2)n1CC(N)=O 12986805 OXLDSPIFGXZERM-UHFFFAOYSA-N 437.547 2.172 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3COCCO3)S(=O)(=O)c3ccccc3)cc2c1 13512964 XVEHTIRWUCAAJS-LJQANCHMSA-N 428.510 2.443 0 40 IEAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCCCN2CCOCC2)cc1 13678565 KRNUBTBJZBSFFC-UHFFFAOYSA-N 449.548 2.244 0 40 IEAB COc1ccc(Cl)cc1NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 15047921 YHAZUDHXDVXRRW-HXUWFJFHSA-N 445.903 2.414 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2N)cc1OC 16756082 BNAWMEPRBBVROC-UHFFFAOYSA-N 428.518 2.473 0 40 IEAB COc1ccc(CN2CCc3c(O)nc([C@H]4CCN(C(=O)[C@@H]5CCCO5)C4)nc3C2)cc1 19555633 OALOIAZRVIPDJN-UWJYYQICSA-N 438.528 2.244 0 40 IEAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccccc1CN1CCOCC1 23956537 GARJYUFSLHSNQU-UHFFFAOYSA-N 425.573 2.468 0 40 IEAB CCN(CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C[C@H]1COc2ccccc2O1 31174011 PUQTXPVZLPUXGV-INIZCTEOSA-N 433.530 2.051 0 40 IEAB COc1cc([C@@](O)(CCN2CCOCC2)c2ccc3c(c2)OCO3)cc(OC)c1OC 31623918 XWBSCGPJAQTQQO-HSZRJFAPSA-N 431.485 2.399 0 40 IEAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2-c2ccccc2)c1=O 32682554 ICOHWJJOXDARHR-UHFFFAOYSA-N 433.512 2.425 0 40 IEAB O=C1C[C@@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(N2CCOCC2)cc1 36092077 YZAJBQKGUZTHMP-JOCHJYFZSA-N 438.503 2.116 0 40 IEAB O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1ccc(Cl)cc1F 36413039 ZDPRVIBRZQBCEP-UHFFFAOYSA-N 432.949 2.156 0 40 IEAB COc1ccccc1CCN1CC(=O)N(c2ccc(Cl)cc2)[C@H]2CS(=O)(=O)C[C@@H]21 56998029 NRAVIPCMUUVSPL-OALUTQOASA-N 434.945 2.406 0 40 IEAB CC(C)CCn1c(=O)c2sccc2n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O 57426679 TXMQGVMREUTNSA-UHFFFAOYSA-N 429.498 2.316 0 40 IEAB CCCCN(C)C(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21 57428224 MVANMCFARXHNCD-UHFFFAOYSA-N 429.498 2.260 0 40 IEAB CCOC(=O)C1CCN(CC2=C(C(=O)OC)[C@H](c3cccc(Cl)c3)NC(=O)N2)CC1 67285557 VUXWSNYPOWTUBR-SFHVURJKSA-N 435.908 2.396 0 40 IEAB CNC(=O)[C@H](NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C(C)(C)C 95932274 CIQVAPLINBCHKH-HNNXBMFYSA-N 449.905 2.153 0 40 IEAB Cc1ccc2c(c1)O[C@@H](C(=O)NCc1cccc(CN3CCCC3)c1)CN2S(C)(=O)=O 224625281 BYSJHNHNGAFSSX-JOCHJYFZSA-N 443.569 2.434 0 40 IEAB CN1CCC(Cc2cccc(F)c2)(C(=O)NC[C@@]2(O)CCCN(c3cnccn3)C2)CC1 257207394 BHNZCISRLCTLSJ-DEOSSOPVSA-N 441.551 2.018 0 40 IEAB C[C@H](C(=O)NCCN1CCOCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 408616122 WEFDJQIAJPVNJB-GOSISDBHSA-N 447.557 2.082 0 40 IEAB O=C(C(=O)N1CCO[C@]2(CCc3ccccc32)C1)N1CCO[C@]2(CCc3ccccc32)C1 513498565 ARJTVGGTWYLNRJ-CLJLJLNGSA-N 432.520 2.387 0 40 IEAB CN1c2ccccc2N(C2CCN(C(=O)NCc3ccc4c(c3)OCO4)CC2)S1(=O)=O 575615178 MVOIPPXXNXJVEL-UHFFFAOYSA-N 444.513 2.291 0 40 IEAB CC1=C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C[C@@H]1n1nc(O)n(Cc2ccccc2)c1=O 5842580 XYTLCKXGZKYPTP-AABGKKOBSA-N 430.464 2.496 0 40 IEAB CC(C)CCNC(=O)CN(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N 6133971 ILXKKLNMQVLFCG-UHFFFAOYSA-N 437.953 2.282 0 40 IEAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)cc1 9787201 RSODJEJEPWZLBL-OAHLLOKOSA-N 429.498 2.384 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O 10135389 CDTKTHBMLSQNKF-UHFFFAOYSA-N 431.489 2.458 0 40 IEAB COc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cc(C)ccc2OC)c1 10300106 ZDAIHJMANSHZEJ-UHFFFAOYSA-N 434.514 2.066 0 40 IEAB COc1ccc(C(=O)N[C@@H](C(=O)NC2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1 11528682 XFBSBHDNAKWXNR-HXUWFJFHSA-N 427.501 2.464 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 11697727 UIISLGZGLRSVKE-UHFFFAOYSA-N 440.529 2.443 0 40 IEAB CCn1cc([C@@H]2C[C@@H](C(=O)Nc3cc(Cl)ccc3OC)N(C)S(=O)(=O)N2)c(C)n1 12130431 QNYCQGKDFPGAQW-HOCLYGCPSA-N 441.941 2.092 0 40 IEAB CCOc1ccc2c(c1)SC1=N[C@](C(=O)OC)(C(F)(F)F)N=C(N3CCOCC3)N12 12412269 AREUBTVKKCKFGW-QGZVFWFLSA-N 444.435 2.487 0 40 IEAB COc1ccc([C@@H]2OC(=O)N(CCN3CCOCC3)[C@@]2(O)c2ccc(OC)cc2)cc1 12420524 IDMMCXPEDHIIMH-JTHBVZDNSA-N 428.485 2.375 0 40 IEAB Cc1ccc(C)c2sc(N3CCN(C(=O)[C@H]4CCCCN4S(C)(=O)=O)CC3)nc12 13793068 QGTUMZQYLFMIBX-MRXNPFEDSA-N 436.603 2.376 0 40 IEAB CC(=O)N1CCN(C(=O)CN2C[C@H](c3ccc(Cl)cc3)[C@@H](c3csnn3)C2)CC1 19017817 SQFVPKNMNKLDFN-MSOLQXFVSA-N 433.965 2.065 0 40 IEAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)CCn2cnnn2)C1 19591100 OULQXPUPKKMHEZ-JOCHJYFZSA-N 438.557 2.389 0 40 IEAB COc1ccc(CC(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1C 19692688 QRRVOYQANQMENO-OAQYLSRUSA-N 448.527 2.459 0 40 IEAB CNc1nc([C@H]2CCCN2)nc2c1CCN(S(=O)(=O)c1cc(C)c(OC)cc1C)C2 19707110 URFJYWJVSSQVHX-MRXNPFEDSA-N 431.562 2.315 0 40 IEAB CC(C)(C)N1C[C@H](C(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)CC1=O 20354422 CKOKANLTEVRZMA-HXUWFJFHSA-N 440.588 2.221 0 40 IEAB COc1ccc([C@@H](CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)NC(C)=O)cc1 21521919 VTLYLMLJFNNHTO-HXUWFJFHSA-N 431.514 2.342 0 40 IEAB CC(C)C(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2cc(F)ccc2F)cc1 21682574 CESTZCCXPRKBNA-UHFFFAOYSA-N 425.457 2.268 0 40 IEAB O=C(CN1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1)N1CCOCC1 22799889 SCIIAAJSZBHRJP-UHFFFAOYSA-N 425.558 2.039 0 40 IEAB CCOC(=O)N[C@@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)CC(C)C 31702060 MICDWSQZPFOWAC-QGZVFWFLSA-N 430.505 2.213 0 40 IEAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 36589851 MKTKLCLKUIBEIR-PZJWPPBQSA-N 428.554 2.263 0 40 IEAB CCn1nc(C)c(CN2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1C 36614751 OWBOGWYEHWGIKM-UHFFFAOYSA-N 445.589 2.153 0 40 IEAB CS(=O)(=O)Nc1nnc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)s1 40157768 HCIGJXOQAFWCRZ-UHFFFAOYSA-N 447.477 2.277 0 40 IEAB COc1ccccc1N1C[C@H](C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CC1=O 48308716 PMZRTHOESVVSSC-MRXNPFEDSA-N 443.466 2.161 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCC2=CCCCC2)cc1 55408411 ONMKRLMRDYLQCH-PMACEKPBSA-N 440.587 2.064 0 40 IEAB O=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCO[C@H](c3ccccc3)C2)cc1 77200741 WFWGIKOYQFTPMZ-FQEVSTJZSA-N 436.555 2.379 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1 96223850 KTDCPHUHTXDUNB-IBGZPJMESA-N 444.576 2.364 0 40 IEAB COc1ccc([C@H]2Cn3nnc(C(=O)N4CCN(C(=O)c5ccccc5)CC4)c3CO2)cc1 97943592 FMHABINXIQAZHV-OAQYLSRUSA-N 447.495 2.156 0 40 IEAB Cc1nn(C)c(C)c1CCNc1c(N2CCN(c3cccc(Cl)c3)CC2)c(=O)c1=O 101701257 PDGSBMAAQKZVDI-UHFFFAOYSA-N 427.936 2.268 0 40 IEAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1C 224846137 CVJOPXMRBZIPFN-UHFFFAOYSA-N 432.454 2.244 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12 225746014 OIJFQOKTFTYQHJ-UHFFFAOYSA-N 434.865 2.228 0 40 IEAB S=C(NCCCc1ccccc1)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 225965001 GWMNJLMCHKTPOJ-UHFFFAOYSA-N 442.589 2.069 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCc2c(OC)cccc2OC)cc1 226046543 AERPTFJXSYCXBJ-UHFFFAOYSA-N 436.530 2.430 0 40 IEAB COc1ccc(Cl)cc1C(=O)N1CCCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 253398864 HTDYQHREJPEDNS-UHFFFAOYSA-N 440.953 2.236 0 40 IEAB CCc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 260571667 ARTAZXDKXCMRRS-GOSISDBHSA-N 445.585 2.487 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(C)cc2)c(Cl)c1 408636667 SIWRJUOYJJTPTO-UHFFFAOYSA-N 426.922 2.268 0 40 IEAB CC(C)n1nc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C)c2ccccc2c1=O 577902562 NUBLAGVMANLNSR-ZIAGYGMSSA-N 432.550 2.031 0 40 IEAB C/C(=C\C(=O)N1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1)c1ccc(F)cc1 584908444 LYHPTYDIWFYYDS-UEBLJOKOSA-N 425.508 2.302 0 40 IEAB CCOc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)O[C@@H](C)C2 1136514860 WAIGESWITOFXIY-KBPBESRZSA-N 434.514 2.320 0 40 IEAB COc1cc(C(=O)NCC(=O)OCC(=O)Nc2cccc(C)c2C)cc(OC)c1OC 1778987 KLYRDMQJRFKQSV-UHFFFAOYSA-N 430.457 2.241 0 40 IEAB C[C@H](OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCCc2ccccc21 3312025 IYIDJKGWJJIGIZ-VOGRQWBCSA-N 428.510 2.488 0 40 IEAB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cccc(O)c1 9426851 JKPGZKKBKOUUKB-UHFFFAOYSA-N 429.477 2.363 0 40 IEAB COC(=O)C1=C(N)OC(C)=C(C(=O)OCc2ccccc2)[C@]12C(=O)N(C)c1ccccc12 9427921 JFOIELPKRAEHRQ-DEOSSOPVSA-N 434.448 2.292 0 40 IEAB CN(C)c1cccc(C(=O)OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 9492025 VGVDIQCIMMFJNB-FQEVSTJZSA-N 430.526 2.125 0 40 IEAB COc1ccc(CCN2C[C@H](C(=O)NCc3ccc(OC)c(OC)c3)CC2=O)cc1OC 9778148 DTRLSEHVKFXDIS-GOSISDBHSA-N 442.512 2.428 0 40 IEAB C[C@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccccc1 9787656 ASSJGOHZYACNSZ-CVEARBPZSA-N 443.525 2.314 0 40 IEAB O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NC[C@H]1CCCO1 9831247 AQWBCWCLKGLNQC-GOSISDBHSA-N 431.496 2.320 0 40 IEAB COc1ccc2c(COC(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)cc(=O)oc2c1 10744146 WZIFYFZVPGWAKW-MCMMXHMISA-N 428.441 2.346 0 40 IEAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CCN(CC(N)=O)CC2)cc1 10958801 SMVNDCXCJVHAFR-UHFFFAOYSA-N 433.512 2.227 0 40 IEAB Cn1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 11666169 VAOSAUAVLPEPQZ-UHFFFAOYSA-N 441.491 2.274 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 11698094 VSZIIJDUMVVISW-UHFFFAOYSA-N 427.429 2.239 0 40 IEAB Cc1nc2cc(C(=O)N3CCC[C@@H]([C@@H]4Nc5ccccc5S(=O)(=O)N4)C3)ccc2n1C 12088091 CKIBYHCKUJSYDE-IIBYNOLFSA-N 439.541 2.464 0 40 IEAB Cc1ccc2c(c1)N(CCC(=O)N1CCC(O)(Cn3ccnc3C)CC1)C(=O)[C@H](C)O2 12143540 TZQNDWBCPJGEDN-KRWDZBQOSA-N 426.517 2.058 0 40 IEAB COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1OC 12378273 CWXWKVYDDRYHPU-UHFFFAOYSA-N 432.458 2.256 0 40 IEAB Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)ccc1F 12520844 HWEBFPAMKGCRPP-UHFFFAOYSA-N 435.521 2.387 0 40 IEAB CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(OC)cc1 12527500 XPBNZWZGGNEVHM-UHFFFAOYSA-N 433.530 2.329 0 40 IEAB COc1ccc([C@H](CNC(=O)CN2C(=O)CCOc3ccccc32)N2CCOCC2)cc1 12761555 JGMCSWVITXUNIV-NRFANRHFSA-N 439.512 2.000 0 40 IEAB Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O[C@H](C)C(=O)NC(C)(C)C)[C@@H]4C2=O)c(C)c1 12880402 UKQQBDFNACHYKG-COYHTZKBSA-N 426.513 2.436 0 40 IEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3C(=O)c4cccc(N)c4C3=O)c2)C1 13139593 LBKAPIHOKOHZFG-OKILXGFUSA-N 441.509 2.372 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2)cc1 14242931 XVVFFOGGHULMNM-GDBMZVCRSA-N 432.498 2.435 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 15716567 UNKDICUBHALSEH-RUDMXATFSA-N 428.510 2.319 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3)CC2)cc1 16046390 MGJGAIZYOHJZSF-UHFFFAOYSA-N 430.526 2.329 0 40 IEAB O=C(c1cccc(F)c1)N1CC[C@@H](c2nc(=O)c3c([nH]2)CN(Cc2cccnc2)CC3)C1 19293503 YBFHULVVHLWQSA-GOSISDBHSA-N 433.487 2.492 0 40 IEAB CC(C)NC(=O)[C@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@@H]1c1ccnc(N2CCCCC2)n1 19450099 KODMETQREOEUGY-UFYCRDLUSA-N 443.592 2.493 0 40 IEAB COCC(=O)N1CCC(C(=O)c2cnn(-c3ccc(OC(F)(F)F)cc3)c2N)CC1 19592728 SYIZFHZOYRNLDQ-UHFFFAOYSA-N 426.395 2.421 0 40 IEAB COCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(=O)CC4CCCC4)CC3)nc21 19742981 AUHHAOAZDFUBJX-UHFFFAOYSA-N 428.533 2.028 0 40 IEAB COc1ccc(CCCN(C)C(=O)CCNS(=O)(=O)c2c(C)noc2C)cc1OC 21972308 DZQYRUKCBXYQHM-UHFFFAOYSA-N 439.534 2.068 0 40 IEAB CCOC(=O)C1=C(CSc2nc(O)c3cnn(-c4ccccc4)c3n2)NC(=O)N[C@H]1C 23845856 XOJXQLHAKSGFOM-NSHDSACASA-N 440.485 2.132 0 40 IEAB COCCN(C(=O)c1cc(Cl)nc2ccccc12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32666234 KCIUCCDFEMKGLS-UHFFFAOYSA-N 445.907 2.270 0 40 IEAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CCCO1)[C@@H]1Cc2ccccc2CN1 35485243 MOTHUJKQNSAOTL-QDSKXPNFSA-N 446.551 2.205 0 40 IEAB biogenic Cc1ccc2c(c1)C(=O)N(CCCC(=O)NCc1ccc(N3CCCN(C)CC3)nc1)C2=O 58438415 QFONNJJYYSQEDC-UHFFFAOYSA-N 449.555 2.225 0 40 IEAB CCCCN(C(=O)COC(=O)[C@@H]1SCCc2sccc21)[C@H]1CCS(=O)(=O)C1 72305590 ORZGDIQBVRASBV-SUMWQHHRSA-N 431.601 2.438 0 40 IEAB O=C(Nc1cccnc1)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 72306816 HXCKUVNLBMGBIN-UHFFFAOYSA-N 444.282 2.256 0 40 IEAB Cn1cc(NC(=O)NCC2(N3CCOCC3)CCCCC2)cc(Br)c1=O 84314338 YHQHIDIJMNGIMP-UHFFFAOYSA-N 427.343 2.304 0 40 IEAB CC[C@H](C)NS(=O)(=O)c1cnn(-c2ccc(C)c(S(=O)(=O)N[C@H](C)CC)c2)c1 84726618 HUPVCVIOSJLHIU-LSDHHAIUSA-N 428.580 2.334 0 40 IEAB Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ccccn4)C[C@@H]3C2)o1 96251485 HZHCCBURLKAJAZ-CYFREDJKSA-N 438.528 2.201 0 40 IEAB CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3 104955441 ZVYVPGLRVWUPMP-UPCLLVRISA-N 435.455 2.473 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1C(=O)NC(C)C 113946179 UZYTXFBSFIOURB-UHFFFAOYSA-N 446.573 2.386 0 40 IEAB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCN(CCO)CC3)c2c1 215700925 KEHZLFQIEVWLJM-HAHDFKILSA-N 448.523 2.084 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222600863 BDFIREXRWGHCRL-QGZVFWFLSA-N 449.548 2.372 0 40 IEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 223272198 LZUDQRGXDJHRGT-UHFFFAOYSA-N 433.599 2.373 0 40 IEAB Cc1ccc(C)c(OCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1 224032713 YGILXFCSIVOCFG-UHFFFAOYSA-N 445.585 2.357 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1N1C(=O)CCC1=O 225112703 NDUMADMBFUTZAD-UHFFFAOYSA-N 438.889 2.359 0 40 IEAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225694994 SNCKJNGPMUBBCX-NRSPTQNISA-N 439.556 2.312 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)COc3ccc(F)cc3F)C2)nc2c1CN(C(C)=O)CC2 257281703 OQORQXNAKSRMML-CQSZACIVSA-N 445.470 2.096 0 40 IEAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 408704774 SRTXNXKJNZSKSR-CYBMUJFWSA-N 433.486 2.209 0 40 IEAB CCC[C@@H]1N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2C(C)=C1C(=O)OCC 408731681 OVYOAVSKWLQRBQ-BRYHAGSVSA-N 430.526 2.439 0 40 IEAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 575426613 WWBVHFXJABOOIY-MRXNPFEDSA-N 442.946 2.366 0 40 IEAB COc1nc(CNS(=O)(=O)c2cc(Cl)ccc2OC)nc(N2CCCCC2)n1 575608660 XHHFUTSCQYABMU-UHFFFAOYSA-N 427.914 2.011 0 40 IEAB O=C(NCC1CCCCC1)c1nnc2n1CCN1CCN(C(=O)c3cccs3)C[C@H]21 585109909 KPLVTOVRCVTPLA-MRXNPFEDSA-N 428.562 2.162 0 40 IEAB O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888870134 DPCXLLHWXCBULB-ZDUSSCGKSA-N 437.397 2.336 0 40 IEAB O=C(OCCOc1ccc(Br)cc1)c1nn(CCO)c(=O)c2ccccc12 3302895 QXCWYLOKODBESA-UHFFFAOYSA-N 433.258 2.387 0 40 IEAB CN(CC(=O)N1CCCC1)CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 8923114 HVRFYFFHZNNFEL-UHFFFAOYSA-N 434.584 2.474 0 40 IEAB CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc1OC 9260004 WUJBVCHIMZZSIB-GZTJUZNOSA-N 448.497 2.296 0 40 IEAB CCOc1ccc(C(=O)NCC(=O)OCc2cc(=O)n3ccsc3n2)cc1OCC 9635207 RBRJOAKLMHZOHY-UHFFFAOYSA-N 431.470 2.027 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCc2cccs2)cc1 9744943 MTNZXVJWZIGCOH-KRWDZBQOSA-N 449.598 2.422 0 40 IEAB CC[C@H](C)NC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 11021483 BKFMNVNIRKNBPR-AWEZNQCLSA-N 440.591 2.084 0 40 IEAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCc1ccc(F)cc1 12004616 UTAWNMQFZGXLAH-UHFFFAOYSA-N 428.507 2.243 0 40 IEAB CC(=O)N1CC2(CCN(C(=O)Cn3ncc4ccccc4c3=O)CC2)Nc2ccccc21 12086146 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23709327 IRBZQFXFEADINZ-UHFFFAOYSA-N 429.590 2.094 0 40 IEAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)NCCc1cccc(Cl)c1 29142621 KESLRPMXTJXSRU-OAQYLSRUSA-N 443.931 2.125 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCN(c3ccccn3)CC2)cc1 32962522 GDDKDYIQKXOTFS-FQEVSTJZSA-N 430.574 2.432 0 40 IEAB COc1cc(C2=NN(C(C)=O)[C@@H](N[C@H](Cc3ccccc3)C(=O)O)C2)cc(OC)c1OC 36665008 FBKMIDJMPUHEBL-WIYYLYMNSA-N 441.484 2.280 0 40 IEAB O=C(NCCn1nc(-c2cccs2)ccc1=O)c1ccc(=O)n(Cc2ccccc2)n1 42379652 FNWMFWNTZJFNPZ-UHFFFAOYSA-N 433.493 2.007 0 40 IEAB CSc1nc(C)c(CCC(=O)NCCS(=O)(=O)N2CCc3ccccc32)c(C)n1 48252859 ILVYYTVPTZIORS-UHFFFAOYSA-N 434.587 2.257 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](OC[C@H]1CCCO1)C(C)C 58061178 XHVJTDZFYSOSMH-YLJYHZDGSA-N 440.562 2.175 0 40 IEAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccccc1Cl 67287307 LOVPEBNLJHSXOD-SFHVURJKSA-N 435.908 2.350 0 40 IEAB CN(C)C(=O)Cc1ccccc1NC(=O)N(CCCN1CCOCC1)Cc1ccncc1 83844110 SWZTYLHZQXJQHZ-UHFFFAOYSA-N 439.560 2.469 0 40 IEAB CC(=O)N1C[C@H]2C3(CCN(C(=O)c4cscn4)CC3)CC[C@@]2(C(=O)NCC(C)C)C1 96143785 RRHJURIGFQAXOK-PGRDOPGGSA-N 432.590 2.396 0 40 IEAB COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)c1 222795438 FOTMFBPFSGAXGT-UHFFFAOYSA-N 434.514 2.066 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223002026 NNIVVACJOFXQIZ-HSALFYBXSA-N 425.529 2.190 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1ccc(C)cc1C)c1ccc2c(c1)OCO2 224160939 XSMKVIMOKAZDMR-UHFFFAOYSA-N 434.514 2.383 0 40 IEAB COC(=O)CN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(C)cc1 224699920 AVVIGGGPGGOGIL-UHFFFAOYSA-N 437.470 2.167 0 40 IEAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)CC1 225409016 ZSULQVVVFUYPNB-UHFFFAOYSA-N 429.955 2.315 0 40 IEAB CCCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)s1 225553875 IIIGZPPSSLUJGM-UHFFFAOYSA-N 441.604 2.229 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@@H](c2cccnc2)C2CCOCC2)cc1 225625557 BGBCRUWVIBJMRG-OAQYLSRUSA-N 429.498 2.181 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)nc2c1CCN(C(C)=O)C2 257275637 NQFDIHPGRDTNIL-IBGZPJMESA-N 449.555 2.307 0 40 IEAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NCCN3CCOCC3)cc2)cc1 408597936 WTAJUPKBRPVVRI-UHFFFAOYSA-N 431.558 2.177 0 40 IEAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3OC)CC2=O)c1 408653260 DVYSNRUPOXLCES-CQSZACIVSA-N 428.441 2.247 0 40 IEAB COC(=O)c1ccccc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408702262 AMIBCVFETFKMHE-UHFFFAOYSA-N 434.470 2.387 0 40 IEAB O=C1NC(=S)NC(=O)C1=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 409118753 PZVIFBDESABELN-UHFFFAOYSA-N 442.294 2.280 0 40 IEAB CN(c1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1)S(C)(=O)=O 409122031 WSOQFMVWVJCLBY-UHFFFAOYSA-N 445.950 2.141 0 40 IEAB Cc1nc(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)co1 643556811 PUAUWJCQAYOYIC-HSZRJFAPSA-N 427.501 2.458 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CCC(n2c(O)nc3ccsc3c2=O)CC1 1775973313 PPPLXFSUQAYUHW-UHFFFAOYSA-N 439.490 2.337 0 40 IEAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cccc(C)c5)C[C@@H]4C3)ncnc21 1888930627 OOMMBWISMXLXPJ-ROUUACIJSA-N 426.546 2.053 0 40 IEAB Nc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)[nH]c(=O)c1NC(=O)c1cccs1 2712452 IFBRUXANBSUFAU-UHFFFAOYSA-N 445.482 2.125 0 40 IEAB COc1cc(-c2nnc(CSc3nnc(C(F)(F)F)n3N)o2)cc(OC)c1OC 8883953 KVGRQFLWPYXTRV-UHFFFAOYSA-N 432.384 2.379 0 40 IEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1=O 8891823 WNHZNTQSBDPQBI-JOCHJYFZSA-N 426.448 2.323 0 40 IEAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(OC)c2)cc1 9090739 VWTWCHBIILPPFJ-UHFFFAOYSA-N 431.452 2.360 0 40 IEAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 9219350 BMJYVPQCPLWVHS-MRXNPFEDSA-N 441.962 2.478 0 40 IEAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1 9510009 ULYVTFIOHWQUIO-IAGOWNOFSA-N 432.542 2.466 0 40 IEAB O=C(Cc1ccc2c(c1)CCCC2)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 9549651 NHWUGQSTMHRBDK-UHFFFAOYSA-N 428.554 2.445 0 40 IEAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9731017 DXPZRWUDJYWFPS-RUZDIDTESA-N 448.523 2.418 0 40 IEAB COc1ccc(CC(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 9911131 XNFDZNQCKXMZOF-FQEVSTJZSA-N 444.553 2.452 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(NS(C)(=O)=O)cc2)C(C)C)cc1 10549606 VRMNVFMTUWZOEF-SFHVURJKSA-N 439.559 2.308 0 40 IEAB COc1cccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)o3)n2)c1 12480749 NQIGIXKTROVEHJ-UHFFFAOYSA-N 438.488 2.342 0 40 IEAB Cn1cnc2c1c(=O)n(CCCSc1nnc(-c3cccc(Cl)c3)o1)c(=O)n2C 12525760 TUVOTGRHHSKECH-UHFFFAOYSA-N 432.893 2.320 0 40 IEAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(S(N)(=O)=O)cc1 12972723 XHFQPCLHSRZYAP-CZUORRHYSA-N 435.933 2.213 0 40 IEAB Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cn1 12988527 GFHXNQUFZUCGKU-AATRIKPKSA-N 429.329 2.273 0 40 IEAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@H]2CCCO2)c2cccc(F)c2)no1 13505861 PDOHIMYOCDXFBZ-QGZVFWFLSA-N 432.452 2.169 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)CC1 13712122 YZLJTTGOPJWRQX-MRXNPFEDSA-N 431.942 2.185 0 40 IEAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15139981 CBTGVGYNUSCJGD-UHFFFAOYSA-N 443.569 2.233 0 40 IEAB COc1ccc(CCNC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)cc1OC 16849586 UUEMQOARQQGNDN-UHFFFAOYSA-N 439.516 2.190 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1C 17192633 FUXSGHZUQUGRER-ZDUSSCGKSA-N 448.497 2.168 0 40 IEAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 20454867 LMGKJKUTFBDADX-UHFFFAOYSA-N 438.527 2.200 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)cc1 20674002 NIMWLTGJKRXGMT-OAHLLOKOSA-N 438.488 2.290 0 40 IEAB COc1cc(CNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc(OC)c1OC 22340489 HBVIUJOLSCXKLL-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB CCOC(=O)[C@]1(C(C)=O)Sc2nnc(C)n2N(C(C)=O)[C@@H]1c1ccc(OCC)cc1 27300567 XNBCCCSPLSUMCJ-YLJYHZDGSA-N 432.502 2.208 0 40 IEAB COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35485160 SVLBGGTVMQBQQR-SFTDATJTSA-N 427.570 2.264 0 40 IEAB biogenic Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 36380062 JUTMAHDOZVJYHO-QFIPXVFZSA-N 448.567 2.435 0 40 IEAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(S(=O)(=O)NC4CC4)c3)C2)n1 59335445 XESHWVNXETWWJQ-KRWDZBQOSA-N 442.541 2.322 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1cccc(F)c1 67287240 NCLOXHOSPVNJIO-KXBFYZLASA-N 433.480 2.272 0 40 IEAB CC(=O)N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F 77270559 YGFMQPHTQKCJPI-LLVKDONJSA-N 449.355 2.194 0 40 IEAB in-vitro CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2n[nH]cc2-c2cccc(Cl)c2)cc1 83882455 JCBGABILILMLQE-UHFFFAOYSA-N 426.907 2.439 0 40 IEAB C/C(=N\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cc(C)ccc1O 89610886 FRDLQURAJZPCSY-XSFVSMFZSA-N 434.474 2.466 0 40 IEAB CN(C)C(=O)N1CCC2(CC1)CC1(CCN(C(=O)NCc3ccccc3)CC1)N(C)C2=O 96143696 VKFHOISHCWKVRX-UHFFFAOYSA-N 441.576 2.357 0 40 IEAB COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)NCCn2cnc3ccccc32)C1=O 96224023 NXPGRDJSSXZSCV-SFHVURJKSA-N 435.484 2.062 0 40 IEAB C[C@@]12C=C[C@@]3(O1)[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CC1 100432056 ATOYAMUCSJBORR-FGOOLWONSA-N 449.551 2.065 0 40 IEAB CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2C(C)(C)[C@H]31 170612546 YMLJWSIWMJJMGD-VRABFAILSA-N 436.555 2.165 0 40 IEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCc3cc(OC)c(OC)c(OC)c3)ccc21 224780044 NAWKTDNJPCDQCE-UHFFFAOYSA-N 434.514 2.490 0 40 IEAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)n1 257332823 XYUYFLSIZVUZLG-FQEVSTJZSA-N 434.500 2.453 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)NC4CC4)CC[C@@H]3N2CC2CC2)cc1 306128999 HQWJXWTVGAQMKF-NYVOZVTQSA-N 426.561 2.358 0 40 IEAB CCS(=O)(=O)N1CCC(CNC(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 541656930 ZAGVUKQPEKHSIU-GFCCVEGCSA-N 438.516 2.344 0 40 IEAB O=C(NCc1cn(C2CC2)c(=O)nc1O)[C@@H](c1cccc(Br)c1)N1CCCC1 1643637914 NLSGNBRTWGBRHS-QGZVFWFLSA-N 447.333 2.500 0 40 IEAB CC1(C)Cc2cccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2O1 3262841 OQRWFEUNDOSZJA-UHFFFAOYSA-N 446.525 2.439 0 40 IEAB O=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCN(CC(=O)N2CCCC2)CC1 7749882 NIWRNJBYRCIELV-QHCPKHFHSA-N 426.586 2.194 0 40 IEAB C[C@H](C(=O)N1CCc2ccccc21)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 8880961 PYJQHOICYMNYNP-QGZVFWFLSA-N 431.533 2.500 0 40 IEAB O=C(OCc1nnnn1-c1ccccc1)c1cccc(S(=O)(=O)NCc2ccco2)c1 9747066 XCHOIOQWJDRIGZ-UHFFFAOYSA-N 439.453 2.091 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)C(C)C)cc1 9960318 UKXWWJMOCDQZCV-FQEVSTJZSA-N 447.513 2.358 0 40 IEAB CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1 9980876 ZLWURCYOWNZVKO-JTQLQIEISA-N 437.374 2.363 0 40 IEAB CNC(=O)c1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)cc1 10218034 GMYLGKIXOGDSCB-UHFFFAOYSA-N 435.933 2.413 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)Cc2ccsc2)C[C@]12Cc1ccccc1C(=O)N2 12126783 YESGOJYIEUOJBL-FDDCHVKYSA-N 425.554 2.389 0 40 IEAB Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[C@H](NC(=O)Cn4nc(C(F)F)cc4C)[C@@H]32)cc1 12236379 PSDXTXIVRKUQEP-SIXWZSSISA-N 438.500 2.405 0 40 IEAB Cc1cc(=O)n2nc(CN3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)sc2n1 12569300 ZJNUVBMTSNWMMQ-UHFFFAOYSA-N 427.486 2.039 0 40 IEAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 13566271 MLJATVDBWZBOLU-HNNXBMFYSA-N 436.515 2.437 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NCc1ccccc1 16524009 HSTWMHQJPCSZIC-UHFFFAOYSA-N 441.475 2.328 0 40 IEAB CNc1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C2CCN(S(C)(=O)=O)CC2)n1 19697332 LSGBZQDWTSSVAD-HNNXBMFYSA-N 447.536 2.317 0 40 IEAB CNc1nc([C@@H]2CCCN2C(=O)CN2CCc3ccccc3C2)nc2c1CCN(C(C)=O)C2 19707333 HOHVVYIMJRCUNF-QFIPXVFZSA-N 448.571 2.145 0 40 IEAB Cc1nc([C@H]2CCCCN2S(=O)(=O)N(C)C)ncc1C(=O)NCc1ccc(F)cc1 19764947 LTHSJYBQTRPWOA-GOSISDBHSA-N 435.525 2.188 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cnc(-n4cccc4)s3)CC2)cc1 20719019 DVVICVVEKJKGOC-UHFFFAOYSA-N 446.554 2.018 0 40 IEAB Cn1cccc1[C@@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCOCC1 21156275 FCRZDFHWTZTULO-QGZVFWFLSA-N 440.422 2.052 0 40 IEAB COc1cc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc(OC)c1 23155529 UFSOEHIHESGWJV-UHFFFAOYSA-N 446.529 2.412 0 40 IEAB CCC(CC)[C@@H](CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)N1CCOCC1 24836873 DRJYKDRMGWSRDV-OAQYLSRUSA-N 437.606 2.266 0 40 IEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C 32674455 PUBCQWBRDJDTNS-SFHVURJKSA-N 433.530 2.068 0 40 IEAB CN(C)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)cc1 40478061 IMYSXGQBCOTBCJ-UHFFFAOYSA-N 439.426 2.019 0 40 IEAB CC(C)S(=O)(=O)NC[C@H]1CCCN(C(=O)CCc2nc(-c3ccsc3)no2)C1 58344159 HZJIOUHGVOZJGV-CQSZACIVSA-N 426.564 2.297 0 40 IEAB COC(=O)c1ccccc1NC(=O)C[C@@H](CN1CCN(c2ccccc2)CC1)C(=O)O 61721734 ISRDSVPZWQQUEN-KRWDZBQOSA-N 425.485 2.325 0 40 IEAB Cc1nc(-c2ccccc2)cc2nn(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)n12 65196687 YHASWRGILSGODJ-UHFFFAOYSA-N 446.486 2.354 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(c3nc(C)cc(N4CCOCC4)n3)CC2)cc1 72337130 HJCYXUCAWKKZRW-UHFFFAOYSA-N 432.546 2.199 0 40 IEAB COc1ccc([C@@H](C)NC(=O)CCn2nnc3ccccc3c2=O)cc1Cn1cccn1 84647795 CQVRJVVLCOCRIZ-MRXNPFEDSA-N 432.484 2.312 0 40 IEAB COCCCn1c(SCc2cc(=O)n3ncnc3[nH]2)nc2cc(Cl)ccc2c1=O 101891401 HYAOIEMBBGGHBZ-UHFFFAOYSA-N 432.893 2.110 0 40 IEAB Cc1cc(Cl)c2c(c1)[C@@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 105349261 AGIHIDZNRIRCTO-MRUWREAYSA-N 445.947 2.472 0 40 IEAB O=S(=O)(Cc1ccco1)[C@H]1CCN(S(=O)(=O)c2ccccc2Br)C1 206695408 SCTJEWXQWQUWEN-ZDUSSCGKSA-N 434.333 2.420 0 40 IEAB COc1cccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c1 224478909 WMHFVGULSMOANN-SFHVURJKSA-N 440.905 2.071 0 40 IEAB C[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225499917 OWZNZRDGYGYQKC-GFCCVEGCSA-N 425.457 2.460 0 40 IEAB CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1 260892797 DNBRIMKLTXAGPA-HNNXBMFYSA-N 444.431 2.428 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 408588766 DXCOYMPLKYCAAB-OAHLLOKOSA-N 437.949 2.364 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C 408589428 FPAZOFNQLBPWJI-SFHVURJKSA-N 431.558 2.015 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)ccc1Br 408657425 KBHIWHLOLKQOLC-YDOWWZDFSA-N 449.301 2.270 0 40 IEAB O=C(NCc1cncc(-c2ccco2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 575618810 PGLQNNIAJDDSJK-UHFFFAOYSA-N 427.482 2.293 0 40 IEAB C[C@@H](C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1)n1nc(-c2cccs2)ccc1=O 575621630 ZZPGPDTYGULHLS-HNNXBMFYSA-N 436.541 2.160 0 40 IEAB COc1ccc(CCNC(=O)CN2c3ccccc3N(C3CC3)S2(=O)=O)cc1OC 585147797 WRWJZYVOECBDLO-UHFFFAOYSA-N 431.514 2.096 0 40 IEAB COc1ccc(CN2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)cc1F 1888921912 PDTYSYPZRWQZMO-KRWDZBQOSA-N 426.496 2.475 0 40 IEAB O=C1NCCNC(=O)[C@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1cccnc1)C2 2037818702 PPTCZNMSPAKUJL-RUZDIDTESA-N 448.523 2.189 0 40 IEAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2105032 RHXCZTGKYSMARR-IPMKNSEASA-N 425.554 2.316 0 40 IEAB COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 2723462 BLOLSVGNMGAXHA-UHFFFAOYSA-N 444.469 2.018 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)c1cc2c(n(-c3ccccc3)c1=O)CCCC2=O 2809810 AZUNEWKVJRSNEW-QGZVFWFLSA-N 428.510 2.381 0 40 IEAB COc1cc(/C=C/C(=O)OCC(=O)COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O 3275769 IBMBJDGCQSOXRD-NXZHAISVSA-N 442.420 2.497 0 40 IEAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 3333011 QKUHMRFPUSKXQH-MRXNPFEDSA-N 440.500 2.149 0 40 IEAB COCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(Br)cc2)n(C)c1=O 8710189 BFHUGBIQUUGFCQ-LBPRGKRZSA-N 448.321 2.093 0 40 IEAB COc1cccc(/C=C(/C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c2ccccc2)c1 8882176 KJUYEMIXQQCOCM-KNGGAZFVSA-N 443.521 2.425 0 40 IEAB COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nnc(C)s3)n2C)cc1 9328526 OREUECYQKHLVSV-JTQLQIEISA-N 447.546 2.205 0 40 IEAB C[C@@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9668842 MOMKHCULEVSQCE-LLVKDONJSA-N 442.526 2.283 0 40 IEAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)on1 12133138 KSVGZMHRIARNAX-KRWDZBQOSA-N 438.532 2.225 0 40 IEAB NC(=O)c1nn(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(=O)c2ccccc12 12675874 NESFOPIOBHVZHF-SFHVURJKSA-N 448.479 2.020 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)CSc3nnnn3Cc3cccs3)ccc21 12694619 RNNJQYVCOJYDCK-UHFFFAOYSA-N 435.556 2.080 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 12976452 UMJWIVNQELUXCH-MHECFPHRSA-N 437.496 2.409 0 40 IEAB CC(C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1)C(=O)O 13624171 RSBSMAQWXADQET-FZMZJTMJSA-N 426.520 2.039 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1 14248144 UEGLJKSGUVGZKU-UHFFFAOYSA-N 438.933 2.175 0 40 IEAB C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 15224721 KCRHOUMKGUYUND-OAHLLOKOSA-N 433.468 2.212 0 40 IEAB CN1C(C(=O)N2CCN(c3ccccc3)CC2)=CC(c2ccc(F)cc2)=NS1(=O)=O 15673388 JUTIJKFLQRSQHU-UHFFFAOYSA-N 428.489 2.038 0 40 IEAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)CN21)Nc1ccccc1 15708115 GJJCMTDJCKVQOI-ZCNNSNEGSA-N 437.569 2.333 0 40 IEAB biogenic,in-vitro CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@@H](C)C(=O)O)CC1 15958828 KIDORVQUOANXCJ-VAZJSPDQSA-N 441.569 2.438 0 40 IEAB biogenic Cc1cc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 17012696 GEQBBSPUQRPURX-UHFFFAOYSA-N 440.367 2.124 0 40 IEAB CCOC(=O)C1=C(COC(=O)Cc2ccc(OC)c(OC)c2)NC(=O)N[C@@H]1c1ccco1 18218116 MCFMNHGOPHOPFL-HXUWFJFHSA-N 444.440 2.254 0 40 IEAB COc1ccc(Cl)cc1COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1NCCO 18600253 SOCQNCCQHDWXKE-UHFFFAOYSA-N 442.921 2.360 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)Cc3cccs3)[nH]c2=O)C1 19343200 MMJLZCDVXMVUMA-LJQANCHMSA-N 449.536 2.331 0 40 IEAB O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)s1 21128377 INORLAVLHZDRQD-UHFFFAOYSA-N 427.276 2.245 0 40 IEAB C[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22331473 MEQIVPPCGPXWIM-CYBMUJFWSA-N 444.962 2.387 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cc1nn(C)c(=O)c2ccccc12 22980959 QBIBQJOJXUVCLT-UHFFFAOYSA-N 443.301 2.302 0 40 IEAB Cn1c(=O)c2cc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)cnc2n(C)c1=O 29280524 GUKLYMBVFDBUPE-IBGZPJMESA-N 432.505 2.482 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(CCCn3c(=O)[nH]c4ccccc43)CC2)cc1 32806041 UXRZXLVBAZBBLC-UHFFFAOYSA-N 428.558 2.425 0 40 IEAB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 38709622 QLSWCPYKAKNGNF-UHFFFAOYSA-N 444.553 2.451 0 40 IEAB O=C(NCC1CCN(C(=O)COc2ccccc2)CC1)C(=O)Nc1cc(F)ccc1F 43941739 BEWPJKAQYYADIJ-UHFFFAOYSA-N 431.439 2.337 0 40 IEAB Cc1cc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)c(N2CCc3ccccc3C2)n1 57506615 HYZRZOOEMOPUJD-UHFFFAOYSA-N 432.480 2.160 0 40 IEAB Cc1nnnn1-c1cccc(NC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)c1 78535146 GBAUNOYQKWITCG-UHFFFAOYSA-N 444.540 2.035 0 40 IEAB COCCN1CC2(CCN(C(=O)c3cccnc3)CC2)COc2ccccc2S1(=O)=O 96263517 NTWKVCCYWYBCQO-UHFFFAOYSA-N 445.541 2.034 0 40 IEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCC(=O)OC 205912086 QRURMZVZEJOTBA-GZTJUZNOSA-N 448.497 2.296 0 40 IEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccccc2F)CC1 222702196 NGBDUEPKUNPYIP-MRXNPFEDSA-N 435.521 2.338 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223084262 ACWUWUNTYOFESM-FQEVSTJZSA-N 449.548 2.454 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1C(=O)N1CCOCC1 224035334 BPIQFOWLWQFDCL-UHFFFAOYSA-N 448.541 2.142 0 40 IEAB O=C(COc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1)N1CCCCC1 256055687 PTWUPDWCXPDFTH-RGEXLXHISA-N 447.520 2.152 0 40 IEAB Cn1c(=O)oc2cc(NC(=O)CN3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)ccc21 257225049 FEOYJOFMLJERLI-UGKGYDQZSA-N 429.448 2.113 0 40 IEAB O=C(c1cn2ccccc2n1)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 1772595249 GDQHEEKCNBPOIW-OAQYLSRUSA-N 445.523 2.010 0 40 IEAB CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)N(NC(=O)c2cccc(F)c2)C1=S 976064 NKNKLCGGGGEKKG-MRXNPFEDSA-N 432.452 2.456 0 40 IEAB COc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 2658549 UPTBHMYAPKZWMG-UHFFFAOYSA-N 426.878 2.199 0 40 IEAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 3271819 JMUUUXGZOKOKSH-XCVCLJGOSA-N 448.472 2.042 0 40 IEAB COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cc1OC 3437277 YUKHYTBCDLCQGA-UHFFFAOYSA-N 426.922 2.385 0 40 IEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)CSc2nnc(C)s2)c(=O)[nH]c1=O 3451035 VPYMWKVJUFDWSZ-UHFFFAOYSA-N 440.595 2.250 0 40 IEAB Cc1ccc2ccccc2c1CSc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 4723119 NSYRTUCJWAVRER-OSGXGRJZSA-N 438.509 2.192 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)cc1C 8769348 GPWGPGGAPLNGMQ-UHFFFAOYSA-N 443.525 2.279 0 40 IEAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@]2(CCc3ccccc32)C1=O 9209018 RMCPMPJZQIQLSS-VOIUYBSRSA-N 434.496 2.244 0 40 IEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(OC(F)F)cc1 9451410 OIMYCKHFYPQMLU-UHFFFAOYSA-N 430.411 2.303 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1cc2ccccc2o1 9570032 CMNGCOUUMQJRPZ-UHFFFAOYSA-N 431.489 2.454 0 40 IEAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 9588059 AJHGGWREYFOJFC-UHFFFAOYSA-N 434.489 2.353 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1c(C)nc2nc(N)nn2c1C 10904766 JPMVASDLKPSTOI-UHFFFAOYSA-N 432.532 2.434 0 40 IEAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 11998165 VXUCOJYGQFJTAY-FQEVSTJZSA-N 427.526 2.320 0 40 IEAB O=C(NCCNS(=O)(=O)c1cccc2nsnc12)c1ccccc1Br 12390994 ZQOPWFBEKAZZLK-UHFFFAOYSA-N 441.332 2.162 0 40 IEAB C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccc2c(c1)OCO2 12425211 OUBXGAXPRLSTQY-SGTLLEGYSA-N 428.466 2.466 0 40 IEAB CC(C)[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(C(C)(C)C)cc1 12551359 VYJZAKDXTWIMPM-SFHVURJKSA-N 425.533 2.245 0 40 IEAB CCc1cccc(N2C[C@@H](C(=O)NCc3ccccc3S(=O)(=O)N(C)C)CC2=O)c1 13017995 DPDOSNZBAWQRST-SFHVURJKSA-N 429.542 2.169 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCCOc2cccc(Cl)c2)cc1 13019047 QDMAFIBNTKZZQA-UHFFFAOYSA-N 426.878 2.199 0 40 IEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)cc2O1 13549426 HAESEPFMXRAYQX-LSDHHAIUSA-N 438.480 2.322 0 40 IEAB CCOc1ccc(N([C@H](C)C(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)cc1 13671909 YKMJYWQRDFTHST-GOSISDBHSA-N 425.595 2.478 0 40 IEAB Cc1oc2cc(OCC(=O)NCCO)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 16249038 QPAXWTRDTOZWPM-UHFFFAOYSA-N 425.437 2.417 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCCCC3)CC2)cc1 16259153 KSEJJUCWJCQQIP-UHFFFAOYSA-N 437.606 2.478 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(Cc2ccccc2F)n1N 19010926 JGQBNSDNUOHBNI-UHFFFAOYSA-N 444.492 2.420 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1 19211906 CVESIKMYGLJKPG-GFCCVEGCSA-N 431.543 2.256 0 40 IEAB Cc1cc2c(cc1CN1CCC[C@@H](c3ncc(C(=O)N(C)C)c(C)n3)C1)n(C)c(=O)n2C 19763056 MTCQRYADHFQNLA-QGZVFWFLSA-N 436.560 2.365 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c1 25480909 KWOKXVYXKWQOQJ-LJQANCHMSA-N 445.516 2.081 0 40 IEAB COc1ccccc1N1C[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1=O 26538795 VETVNOBRCHUTMG-GOSISDBHSA-N 437.496 2.121 0 40 IEAB CCOC(=O)C1=C(Cn2cnc3ccccc3c2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 31681271 PVISRLBELHVGAX-HXUWFJFHSA-N 434.452 2.276 0 40 IEAB O=C1NC(=O)[C@]2(Cc3ccccc3N3CCSC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2 36056355 VZQGAPHWCYRBPY-PGRDOPGGSA-N 437.477 2.163 0 40 IEAB Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@H](c3ccccc3)N3CCN(C)CC3)cc2)o1 44894135 VMCUFADMAZKIIO-OAQYLSRUSA-N 448.527 2.088 0 40 IEAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(NC(=O)c2cnn(C)c2)CC1 48312765 XGQYYBBTBISNPO-FQEVSTJZSA-N 441.532 2.092 0 40 IEAB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCC(=O)N1CCCCCC1)C2=O 58152926 RAUNNNQVNTVIBQ-UHFFFAOYSA-N 434.581 2.422 0 40 IEAB CN1C[C@@H](NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1=O 58162286 PPZLCBGAYVMFEP-ZDUSSCGKSA-N 425.869 2.240 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H](C)O1 58309916 HWGOUXKXNIABSL-GJZGRUSLSA-N 439.534 2.289 0 40 IEAB COCCN(C(=O)CCNc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCS(=O)(=O)C1 83902694 VMWYAPHQDSMKGJ-LBPRGKRZSA-N 443.875 2.218 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)N4CCNC4=O)ccc32)cc1 96098396 CTPCCEXWOCHXQR-UHFFFAOYSA-N 430.486 2.394 0 40 IEAB CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O 96144409 PRNQZZXZUIVIIV-DEOSSOPVSA-N 425.577 2.434 0 40 IEAB O=C(c1ccco1)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 97097843 GCEUEVQGTBPGFT-GOSISDBHSA-N 441.875 2.394 0 40 IEAB CCOC(=O)Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(C)ccc21 100877194 DTWHDRSVBRIDGL-FCQUAONHSA-N 437.477 2.298 0 40 IEAB COc1ccc(OC)c(N(CC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c1 223656706 LDWBLFBWBMPKEK-UHFFFAOYSA-N 442.921 2.318 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223823218 JHDDYBUCSGHKGC-LZQZEXGQSA-N 429.492 2.020 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOCc3ccccc3)C2)cc1 224215672 SKWHVGOBHQPFOR-LJQANCHMSA-N 432.542 2.429 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC(C)C)cc2)cc1OC 224297852 VMGMHQCMXOXRIS-UHFFFAOYSA-N 436.530 2.428 0 40 IEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)s1 225607207 KUGXAFAQQOJILJ-UHFFFAOYSA-N 442.910 2.315 0 40 IEAB CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@@H]1Sc1[nH]c(=O)sc1C2(C)C 248267852 YMLJWSIWMJJMGD-AIGXORKKSA-N 436.555 2.165 0 40 IEAB COc1ccccc1[C@@H]1CN(CC(=O)Nc2ccc3c(c2)OCCO3)CCN1C(C)=O 257227110 FNSAFUBIOSRYDW-IBGZPJMESA-N 425.485 2.310 0 40 IEAB COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H]2c2ccc3c(N)n[nH]c3n2)cc1 257238167 HJWCHHLMJLZWNE-KRWDZBQOSA-N 429.502 2.076 0 40 IEAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCCC2)cc1 257239345 HOWSHPGNTZNWMQ-QHCPKHFHSA-N 435.572 2.158 0 40 IEAB CCN1CCN(S(=O)(=O)c2cn[nH]c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257330971 XQVOLHXFKQWUDJ-IBGZPJMESA-N 439.541 2.183 0 40 IEAB CC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)cc1 408550240 BTPWJGYPDTZEGN-UHFFFAOYSA-N 433.262 2.101 0 40 IEAB CN(C)CCOc1ccccc1N1CCN(C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 510308732 YQKVALXJZMWICT-FQEVSTJZSA-N 438.576 2.133 0 40 IEAB COc1ccc(CC(=O)N2CCO[C@@](COc3ccc(Cl)cc3)(CC(N)=O)C2)cc1 585286272 NRFZMKMENSAMIW-QFIPXVFZSA-N 432.904 2.443 0 40 IEAB C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCOc2ccc(Br)cc2C1 1155545344 MCGAAUYNEGTMMU-YVEFUNNKSA-N 425.323 2.226 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C)CC2)C12CN(Cc1ccncc1)C2 1549166741 HFDJLAYQMSESFN-HSZRJFAPSA-N 447.583 2.058 0 40 IEAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)Nc5ccc(F)cc5)C[C@@H]4C3)ncnc21 1888930698 VAVSEXNDANHIBZ-GJZGRUSLSA-N 425.468 2.212 0 40 IEAB COCCn1cnc2c(N3C[C@@H]4CN(C(=O)Nc5c(F)cccc5F)C[C@H]4C3)ncnc21 1888941725 IEHYJYVXSSTAAC-ZIAGYGMSSA-N 443.458 2.351 0 40 IEAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C2)n1 1888970045 FBHWTLOBAUFKDS-QGZVFWFLSA-N 444.491 2.355 0 40 IEAB COC(=O)c1cccc(NC(=O)CSc2nnnn2-c2cc(OC)ccc2OC)c1 932133 LUBMZYYCWWSUHH-UHFFFAOYSA-N 429.458 2.197 0 40 IEAB C[C@@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)N1CCc2ccccc2C1 2664446 RZKCDQMYQAMSNE-GFCCVEGCSA-N 435.274 2.289 0 40 IEAB CC[C@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@@H](CCSC)C(=O)O 8792098 WHXAGDDFGNLCJU-QRTARXTBSA-N 447.561 2.303 0 40 IEAB biogenic CCN(C(=O)CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 9216087 SCAYPHNGUKOZKH-DFSFMLJYSA-N 440.518 2.288 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 9245594 IFUPDLSCSRTMTK-UHFFFAOYSA-N 439.540 2.202 0 40 IEAB COc1ccccc1C(=O)NCc1nnc(SCC(=O)N2CCc3ccccc32)n1C 9263820 ZUNDMOXZYOYFOG-UHFFFAOYSA-N 437.525 2.435 0 40 IEAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c(O)[nH]c(=O)n(CCc2ccccc2)c1=O 9334867 ODRKDSFEGZQUNL-OAQYLSRUSA-N 432.480 2.210 0 40 IEAB biogenic COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1 9468009 LRMALLBXCXPOKL-UHFFFAOYSA-N 431.514 2.238 0 40 IEAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 9864960 LOKWPLAYYUAUKM-VGSWGCGISA-N 425.510 2.148 0 40 IEAB CC[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cnc2ccccc2c1=O 13721238 LUTVHAQFBTVVQY-FQEVSTJZSA-N 434.496 2.421 0 40 IEAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 14180712 HKNBBKYLJJPNAD-XMMPIXPASA-N 434.496 2.283 0 40 IEAB CC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(CN(C)S(C)(=O)=O)cc1 14396704 XHIPKPGCTFNSAV-UHFFFAOYSA-N 433.530 2.234 0 40 IEAB CCCCN(C(=O)Cc1cnn(-c2ccccc2)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 14899161 QEGLWEIJHYBPKM-UHFFFAOYSA-N 438.532 2.480 0 40 IEAB CC(C)c1ccc(OCc2cc([C@@H]3CCN(S(=O)(=O)N4CCOCC4)C3)n[nH]2)cc1 19704603 PFUXKUKKEJWCHV-GOSISDBHSA-N 434.562 2.478 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)Nc3ccc(C)cc3C)CC2)cc1 34887569 YSLBSILYIJQMSN-UHFFFAOYSA-N 444.557 2.266 0 40 IEAB CC(C)c1nc(CC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cs1 40093992 VHCXYVQPOBEPCR-UHFFFAOYSA-N 428.624 2.463 0 40 IEAB Cc1ccc([C@@H](CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)N2CCOCC2)o1 48367234 QCHROBGGWXKJHR-HXUWFJFHSA-N 437.500 2.388 0 40 IEAB CCOc1ccc(CCNC(=O)CN[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OCC 49604851 UIRREUZMJVHLRU-MRXNPFEDSA-N 449.573 2.141 0 40 IEAB CC(C)NC(=O)CN1C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]2(C)NC(=O)c2ccccc21 72341882 QBOPHUXTIQUPRS-CPJSRVTESA-N 434.540 2.178 0 40 IEAB O=C(CC[C@@H]1NC(=O)NC1=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 72393449 YVOOXMRWYVZZBT-IBGZPJMESA-N 430.524 2.206 0 40 IEAB COCCn1nc([C@H]2CCCN(C(=O)Cc3cn(C)c4ccccc34)C2)n(C2CC2)c1=O 77150144 PESANBYZAQEARO-KRWDZBQOSA-N 437.544 2.467 0 40 IEAB Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NCc1c(C)nc3c(c1C)c(=O)[nH]n3C)CC2 79101820 BNHIWLOSBSIKAE-GFCCVEGCSA-N 448.449 2.417 0 40 IEAB Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)N[C@@H](C)CCc2cccn2C)c1 89702533 OZSVFPAXNCNMGB-HNNXBMFYSA-N 430.534 2.309 0 40 IEAB COc1cccc(CN[C@@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)c1 96113487 BYOOEPBHXHLXKZ-RTBURBONSA-N 428.533 2.415 0 40 IEAB biogenic,in-vitro O=S(=O)(c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 96374219 HKHCWKJEFKAGAX-UHFFFAOYSA-N 441.502 2.224 0 40 IEAB Cc1nc2cc(-c3nccn3C)nn2c(N2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c1C 100177302 ZGVUORBMDQZILF-IRXDYDNUSA-N 432.532 2.499 0 40 IEAB COc1ccc(CCN2C(=O)C[C@@H](Nc3ccc(C(=O)N(C)C)cc3)C2=O)cc1OC 102121266 XUOVMLCXAOELLN-GOSISDBHSA-N 425.485 2.188 0 40 IEAB COCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC 108819859 QJYSBHKLNHLJNO-UHFFFAOYSA-N 436.530 2.047 0 40 IEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccc3c(c2)OCO3)s1 223223056 FBHIIZHJLCYQSZ-UHFFFAOYSA-N 432.483 2.306 0 40 IEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 224780188 VOLHOCZHNRURDG-UHFFFAOYSA-N 430.574 2.455 0 40 IEAB Cc1noc(-c2cccn3c(CNC(=O)[C@H]4CCCN4C(=O)OC(C)(C)C)nnc23)n1 225748114 NRVSNGAPHZXYOS-CQSZACIVSA-N 427.465 2.103 0 40 IEAB C[C@H]1Cc2cc(C(=O)NCCSc3ncn[nH]3)ccc2N1S(=O)(=O)c1ccccc1 225849669 LLHBANSXBWJFMB-AWEZNQCLSA-N 443.554 2.467 0 40 IEAB CNC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1 409109945 OJUMZKQJZCLYHY-UHFFFAOYSA-N 430.267 2.233 0 40 IEAB C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CC[C@H](CNc2ccccn2)C1 506071567 LNRDFUXRFQVHMN-NFBKMPQASA-N 437.588 2.353 0 40 IEAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 575425979 JZNQUJUCHKBIAO-HOTGVXAUSA-N 430.935 2.019 0 40 IEAB Cc1noc(C)c1CN1C[C@@]2(COCCN(c3cc(C(F)(F)F)ncn3)C2)CC1=O 585104221 LAWZVSJPTTVRGQ-GOSISDBHSA-N 425.411 2.356 0 40 IEAB COCCn1cnc2c(N3C[C@@H]4CN(c5ccnc(C(F)(F)F)c5)C[C@H]4C3)ncnc21 1888910668 MSDOOIKNNJMXCJ-KBPBESRZSA-N 433.438 2.459 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)Nc5ccc(OC)cc5OC)C[C@@H]4C3)nn12 1888944397 QFXWNNPXQUWBNW-GJZGRUSLSA-N 437.504 2.304 0 40 IEAB NS(=O)(=O)c1ccc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 2645425 PKQBQEALGGHUAM-UHFFFAOYSA-N 428.841 2.485 0 40 IEAB Cc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1 3498827 VPWMPILHGDEIAR-UHFFFAOYSA-N 426.458 2.182 0 40 IEAB COc1ccc(NC(=O)CN(C)CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 7703460 MZWBYJJMZDLIOD-UHFFFAOYSA-N 427.501 2.168 0 40 IEAB CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)N1CCSCC1 8582609 QOTDCCJXIFWQLX-SFHVURJKSA-N 442.545 2.179 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)c1 8883234 NARSFIXTWZOHJR-UHFFFAOYSA-N 429.498 2.390 0 40 IEAB CCOC(=O)/C=C1\SCC(=O)N1CCOC(=O)c1c(NC(C)=O)sc(C)c1C 8919219 JIAGZABKLXIKOD-ZSOIEALJSA-N 426.516 2.460 0 40 IEAB CCOc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(OC)c(OC)c3)CC2=O)cc1 9036078 ZOYMEFPLLZWBJR-HNNXBMFYSA-N 434.514 2.434 0 40 IEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C(=S)NC[C@H]2CCCO2)CC1 9052140 POEOJXDGGBPEQI-CQSZACIVSA-N 437.509 2.065 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 9190872 SFRPWCFNFOGIFW-HNNXBMFYSA-N 437.481 2.269 0 40 IEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(CC)CC(=O)NCc2cccs2)c1C 9336764 LEOLEPLKOGNZIQ-UHFFFAOYSA-N 449.529 2.191 0 40 IEAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 9664503 NPLJYIXHNYTICN-UHFFFAOYSA-N 432.498 2.120 0 40 IEAB Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cn1 12983731 FURJUFZFTMKCLL-GORDUTHDSA-N 429.329 2.273 0 40 IEAB Cc1nc(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c2ccccc2n1 13057568 UNEXBCOYITUPOW-JKSUJKDBSA-N 435.571 2.225 0 40 IEAB COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3O)n2C)cc1 13956062 WIWBZFAZUIBQGR-UHFFFAOYSA-N 427.486 2.190 0 40 IEAB CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cc(F)cc2c1OCOC2 14678508 PTXBJYJMZIUCHK-JOCHJYFZSA-N 426.400 2.344 0 40 IEAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(-n2ccnc2)cc1 16045810 FVAXJSPBIXVWOK-UPCLLVRISA-N 429.480 2.443 0 40 IEAB O=C(COC(=O)CCn1c(=O)oc2ccccc21)NCCc1nc2ccccc2s1 17991978 GLUVXJDCDSGSSP-UHFFFAOYSA-N 425.466 2.496 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc4nsnc34)C2=O)cc1OC 19078517 YLYAJTPXGPJPHX-HXUWFJFHSA-N 441.469 2.114 0 40 IEAB CNc1nc([C@@H]2CCCN(CC(=O)Nc3ccccc3F)C2)nc2c1CN(C(C)=O)CC2 19710460 IHFCOTQINROICM-MRXNPFEDSA-N 440.523 2.380 0 40 IEAB COCCOc1ccc(C(=O)N[C@@H]2CN(C(=O)Nc3ccccc3)CCC[C@H]2O)cc1 20462696 SZBQCTZIOJAHAS-NHCUHLMSSA-N 427.501 2.499 0 40 IEAB biogenic,in-vitro Cc1ccccc1CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 23805803 RHQNYISINORWSY-FQEVSTJZSA-N 435.524 2.464 0 40 IEAB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 25271674 FLDQSEXTNIADFW-UHFFFAOYSA-N 435.571 2.423 0 40 IEAB CS(=O)(=O)c1ccccc1C(=O)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 27162388 CNHDBLHDGLULJM-UHFFFAOYSA-N 438.452 2.290 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc2c(c1)OCO2 28721440 JPWPFONEIBXIOU-HSZRJFAPSA-N 447.495 2.329 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)cc1 32970550 RKWDARYGIRKEFA-WMZOPIPTSA-N 431.562 2.343 0 40 IEAB C/C(=C/C(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1)C(=O)O 37019037 XOXXGNAGIDHREK-RAXLEYEMSA-N 440.408 2.223 0 40 IEAB O=C(c1snc2c(=O)n(Cc3ccccc3)c(=O)[nH]c12)N1CCN(c2ccccc2)CC1 49409908 UCMRXOYPAKMQBV-UHFFFAOYSA-N 447.520 2.157 0 40 IEAB O=C(NC1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)CC1)c1ccc[nH]1 58173507 LEPXEOJFNUPJBD-UHFFFAOYSA-N 444.557 2.224 0 40 IEAB Cc1nccn1CCCC(=O)N1CCC2(CC1)CN(S(C)(=O)=O)Cc1ccccc1O2 72394370 SLIVHMZAPQNWHT-UHFFFAOYSA-N 446.573 2.187 0 40 IEAB Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)C[C@H]3NC(=O)c4ccccc43)CC2)on1 72396436 ZBAFSEXHWPTQKR-GOSISDBHSA-N 433.468 2.314 0 40 IEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H](O)c3ccc(Cl)c(F)c3)C2=O)cc1 89629923 XGZXAKIGHKPRHK-LAUBAEHRSA-N 433.867 2.404 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1OC 95476607 SYRFSHWAHRKJIU-CQSZACIVSA-N 426.448 2.431 0 40 IEAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C[C@@H]2CCCO2)cc1Cl 96347330 GQHIGFFBTDCNPJ-ZDUSSCGKSA-N 443.891 2.194 0 40 IEAB Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 138895814 AIZMAKHNRHQKKK-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB CC[C@@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222496823 ADZFQRRBMJVBDX-HNNXBMFYSA-N 446.953 2.305 0 40 IEAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 223777153 YICFMPSDPJFCOT-UHFFFAOYSA-N 427.891 2.272 0 40 IEAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223877303 QBISUFIXAUEVNJ-QRQLOZEOSA-N 443.519 2.410 0 40 IEAB COc1ccccc1OCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224354475 BHYHJMRNILXCKF-UHFFFAOYSA-N 448.541 2.444 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 224531666 MWWMXPHTPRRPRB-SFHVURJKSA-N 431.558 2.194 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 224586350 MZZDJZWZRLHEJM-UHFFFAOYSA-N 428.514 2.126 0 40 IEAB Cc1nc2ccccc2n1[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 585149225 PCTJMKKCKMPMGF-ZDUSSCGKSA-N 427.465 2.300 0 40 IEAB O=C(NCc1ccc(Br)cc1N1CCOCC1)[C@@H]1CC(c2ccccn2)=NO1 1566323974 NCHRUFHNVVARQP-IBGZPJMESA-N 445.317 2.490 0 40 IEAB CC(C)c1nc(S(=O)(=O)N2C[C@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)cn1C 1888914080 YRRPEFHNABGBKN-HZPDHXFCSA-N 428.562 2.187 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1ccccc1 634179 OIYGAQYHKVFFEZ-FNGUVFISSA-N 448.500 2.334 0 40 IEAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccc(F)cc4)CC3)N2)cc1 8777030 MGLXJSJNTLSTEJ-HXUWFJFHSA-N 437.475 2.034 0 40 IEAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NCc1ccccc1 8992104 ASTSHOJDQWRIKP-QGZVFWFLSA-N 449.960 2.173 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccc(OC)cc1 8995398 UBENITWJZOHZRX-SFTDATJTSA-N 436.512 2.224 0 40 IEAB CC(=O)Nc1cccc(NC(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)c1 9821602 TZJPMQIFDMWITQ-UHFFFAOYSA-N 431.452 2.287 0 40 IEAB COc1ccc(N(C)c2nnc(-c3ccc(NC(=O)C(=O)NCCCO)cc3)s2)cc1 11797288 PIPAILKUKUBXFZ-UHFFFAOYSA-N 441.513 2.419 0 40 IEAB Cc1nn(C)cc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2cccc(C(F)(F)F)c2)=C1 12155211 AGNNUUPVOOAFPB-UHFFFAOYSA-N 427.408 2.249 0 40 IEAB CC[C@H](C)N(C(=O)COC(=O)/C=C/c1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 12642954 ZALPMPVEYSKMKG-ZMMKQQPBSA-N 439.530 2.074 0 40 IEAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)NCc3ccco3)C(=O)[C@@H]1C2 12899975 YPPRVZYHJHJGTF-KRWDZBQOSA-N 427.457 2.082 0 40 IEAB biogenic Cn1ncc2c(N3CCN(CC(=O)NCc4ccc(Cl)cc4Cl)CC3)ncnc21 14856382 SNJYJRSMFIGXEL-UHFFFAOYSA-N 434.331 2.109 0 40 IEAB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc(OC)c1OC 15578650 NBQXZVGKRBXGMK-CYBMUJFWSA-N 428.441 2.475 0 40 IEAB COc1ccc(NC(=O)Nc2nc(CCC(=O)N3CCN(C(C)=O)CC3)cs2)cc1 16849111 PSJRPEJQNJFQCO-UHFFFAOYSA-N 431.518 2.419 0 40 IEAB Cc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 19078976 GHHSMEYRMJVKEL-OAHLLOKOSA-N 445.570 2.333 0 40 IEAB Cc1cc(C)n(CCC(=O)N2CCO[C@@H](c3c(C(N)=O)sc4ccccc34)C2)c(=O)n1 19697793 OCFKVEGPIAIYCS-MRXNPFEDSA-N 440.525 2.164 0 40 IEAB O=C(Cn1cc(C(=O)N2CCCC[C@H]2CN2CCCC2)ccc1=O)Nc1nccs1 19750939 QMJCXYHXEXWGIL-KRWDZBQOSA-N 429.546 2.034 0 40 IEAB COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1OC 20015717 ZDODBCZWYAYEEN-UHFFFAOYSA-N 442.921 2.303 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(F)cc1 20674670 FXLXXRLTQAYOKT-NHCUHLMSSA-N 438.503 2.350 0 40 IEAB O=C(NCCNC(=O)c1nc(Cn2cc(Cl)cn2)no1)c1ccc(Cl)c(Cl)c1 21454326 GCQDIGAKDOBZLE-UHFFFAOYSA-N 443.678 2.434 0 40 IEAB COc1cc(CNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(OC)c1OC 22329143 CYGPSGLMYJCRLD-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB COc1ccc([C@H](c2sc3ncnn3c2O)N2CCC3(CC2)OCCO3)cc1OC 22609373 UXDZKIDFLMRPPU-MRXNPFEDSA-N 432.502 2.442 0 40 IEAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)Nc1ccccc1C(=O)NC1CC1 22787666 FKVKLZLPHDRKDK-UHFFFAOYSA-N 434.540 2.270 0 40 IEAB CCn1c(-c2ccc(C)cc2)cnc1S[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 24942683 CWAILMQLOMOELG-CYBMUJFWSA-N 427.530 2.222 0 40 IEAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cccc(NC(C)=O)c2)cc1C 28210200 SDBTYCOJXCBPOO-SFHVURJKSA-N 445.497 2.280 0 40 IEAB COc1cccc([C@@H](CNC(=O)C2CCN(c3ccc4nncn4n3)CC2)N2CCCC2)c1 32779789 BAOZQDKGQKVKOL-OAQYLSRUSA-N 449.559 2.303 0 40 IEAB CCOC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 36666251 LULRKCSUIUIZHQ-LJQANCHMSA-N 443.475 2.097 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccnc(N3CCCC3)c2)cc1 40049921 JVUUDZJWHOBTKX-HXUWFJFHSA-N 428.558 2.460 0 40 IEAB CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 58370195 VAFLFAHVMMFWGS-QAPCUYQASA-N 439.541 2.430 0 40 IEAB CC1CCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)CC1 72329714 WKAGBBRDQFMMMN-UHFFFAOYSA-N 425.445 2.050 0 40 IEAB CCc1ccc(C(=O)N(C)Cc2ccc(O)c(OC)c2)cc1S(=O)(=O)N1CCOCC1 79109758 WAQMOBDVPHYRJB-UHFFFAOYSA-N 448.541 2.256 0 40 IEAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCCN1C(=O)Cc1cccs1 84536126 DSOXJCIWJOUHCM-FPOVZHCZSA-N 427.570 2.299 0 40 IEAB Cc1ccc(N2CCC[C@@H](C(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)C2)nn1 90592255 NQKPGNQXJYERKF-GOSISDBHSA-N 436.491 2.181 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CCN(C)CC1 95953823 MWFMPKIQJYABQY-HXUWFJFHSA-N 431.533 2.418 0 40 IEAB O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccccc1-n1cnnn1 96544245 KMSBTDRMGMMUTH-GZTJUZNOSA-N 438.444 2.268 0 40 IEAB CCCC(=O)N1CCc2c(nc3cc([C@@H]4CCCN4C(=O)C[C@H]4CCCO4)nn3c2O)C1 100234973 BOHYAOZEFSRGKX-BEFAXECRSA-N 441.532 2.352 0 40 IEAB Cc1ccc2nccc(N3CCC(O)(CN(C)C(=O)c4ccc(OCCN)cc4)CC3)c2n1 257212736 CESATZDMFSDCKJ-UHFFFAOYSA-N 449.555 2.379 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@H]3COc4ccccc4O3)C2)cc1 260895299 HRDPQZTWHIHSOM-WMZOPIPTSA-N 446.525 2.052 0 40 IEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c(C)c1 408614349 BFBKVKFQTQTQAE-MSOLQXFVSA-N 439.512 2.171 0 40 IEAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 408647448 SXZIDARTPXRCNE-INIZCTEOSA-N 440.452 2.407 0 40 IEAB COc1ccc(CN(C)[C@H]2CN(Cc3ccc(OCCN(C)C)c(OC)c3)C[C@@H]2O)cc1 585274434 WOUKZBWGRPNMTB-GOTSBHOMSA-N 443.588 2.321 0 40 IEAB O=C(NCC1(N2CCOCC2)CCSCC1)C(=O)Nc1cccc(C(F)(F)F)c1 1775973508 FCECGLPUCFLHMG-UHFFFAOYSA-N 431.480 2.358 0 40 IEAB CCOc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3ccc(OC)cc3)cc2c1 918596 GPDSUHWGZVJMRQ-UHFFFAOYSA-N 432.498 2.119 0 40 IEAB COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1 2223127 POIFPJWWMBNHFP-SFHVURJKSA-N 425.510 2.472 0 40 IEAB CCOC(=O)N1CCN(C(=S)NC(=O)c2ccc(I)cc2)CC1 2582348 MXDSAGMEBPIPJX-UHFFFAOYSA-N 447.298 2.080 0 40 IEAB CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)OC(C)(C)C 5519447 PPOBHQUEJKYAOG-XUVXKRRUSA-N 431.577 2.339 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCn2ccnc2)c2ccc(F)cc2)cc1 9094938 GVWLLFZTLDSXTC-UHFFFAOYSA-N 446.504 2.433 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 9128126 COAMXIDSUAIWJL-SFHVURJKSA-N 425.466 2.133 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 9189908 YCMSDLTYJHAISX-VWLOTQADSA-N 443.459 2.252 0 40 IEAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC(=O)NCCC2=CCCCC2)C1=O 9222627 MUCNFXVQCCIUJV-OAQYLSRUSA-N 434.443 2.448 0 40 IEAB COc1ccc(C(C)=O)cc1CS(=O)(=O)CC(=O)Nc1ccccc1C(=O)NC1CC1 9223493 HEFLSAILGMQCOG-UHFFFAOYSA-N 444.509 2.344 0 40 IEAB COCCN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1nnc(-c2cccs2)o1 9666110 CLEQPABWTNAJCU-UHFFFAOYSA-N 428.474 2.055 0 40 IEAB C[C@@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)c1ccccc1 9787587 YBQSCORCTQNIDE-OAHLLOKOSA-N 429.498 2.100 0 40 IEAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccccc2)CC1 10030390 VGZJYOBCBFYMSR-NRFANRHFSA-N 427.570 2.478 0 40 IEAB CCn1c(CSc2nc(=O)[nH]c(C)c2C(C)=O)nc2cc(S(=O)(=O)N(C)C)ccc21 10656843 FZVODPGHHXYTKW-UHFFFAOYSA-N 449.558 2.193 0 40 IEAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 10666769 WAFQAWJFJYEEDV-UHFFFAOYSA-N 433.530 2.404 0 40 IEAB CNC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 12734664 RBKZXWRLWXJCRZ-LLVKDONJSA-N 429.420 2.371 0 40 IEAB COc1cc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cc(OC)c1OC 18218406 JOTZSAFUNZEWBV-UHFFFAOYSA-N 432.448 2.357 0 40 IEAB Cc1ccc(-c2cccc(C[C@]3(C(N)=O)CN(C(=O)c4ccc(O)nn4)CCO3)c2)cc1 19212718 RHSZQKILUSMYRF-XMMPIXPASA-N 432.480 2.097 0 40 IEAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2cnn(C)c2)ncc1C(=O)Nc1ccccc1 19755482 XJDBWLGMQJTEPP-GOSISDBHSA-N 426.502 2.297 0 40 IEAB COC[C@@H](C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12 19892017 OPSWFIMEUZGJNO-OAHLLOKOSA-N 427.505 2.081 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 20244423 WOHVZMJYCUQCRB-HNNXBMFYSA-N 439.509 2.031 0 40 IEAB C[C@H](O)CN(C[C@H](C)O)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20358177 FHJBPUKUIGLFMP-KBPBESRZSA-N 443.573 2.133 0 40 IEAB CCn1c(COC(=O)c2ccccc2NCCO)nc2cc(S(=O)(=O)N(C)C)ccc21 21989275 YWHXUBKQHNCUCJ-UHFFFAOYSA-N 446.529 2.068 0 40 IEAB CCOC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O 21992214 YNLDFNVDZZGPHE-CVEARBPZSA-N 432.439 2.443 0 40 IEAB O=C(CN1CCN(Cc2ccsc2)CC1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 22800109 PFHDOKHHFTZGEE-FQEVSTJZSA-N 439.647 2.214 0 40 IEAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCC3)cc1 27663095 ASCYGYFZSUOLDI-CQSZACIVSA-N 448.566 2.480 0 40 IEAB CCCn1c(N2CCN(C(=O)c3ccccc3Cl)CC2)nc2c(C)nn(C)c2c1=O 28557047 HRFLLVCWJLELFA-UHFFFAOYSA-N 428.924 2.464 0 40 IEAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1=O 38492533 HIRZRYKSTRJSTE-AWEZNQCLSA-N 442.903 2.266 0 40 IEAB COc1cc(OC)cc([C@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)c2nccn2C)c1 48332341 IEIHHMOAFVSRQG-FQEVSTJZSA-N 426.517 2.292 0 40 IEAB O=C(C1=NN(Cc2cccc(F)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCOCC1 49402779 QEAXQMKFMJXTNV-UHFFFAOYSA-N 437.880 2.445 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)OCc2nc(-c3cccc(C(F)(F)F)c3)no2)n(C)c1 58521729 KGWIAIOKSBHVQE-UHFFFAOYSA-N 444.391 2.359 0 40 IEAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1cccc(F)c1 67287243 WYRYXHDAAKEPEG-LJQANCHMSA-N 433.480 2.272 0 40 IEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)C(=O)N2CCC[C@@H]2C(O)=N3)c1 95475238 DGHJJFWNHHIEPJ-GOSISDBHSA-N 442.497 2.395 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1F 95949287 OOGJQFXBKUMGAS-GOSISDBHSA-N 425.913 2.320 0 40 IEAB COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(N)c3c(c2OC)OCO3)CCN1C 139736379 FBJIWQULMXAMBV-SJORKVTESA-N 428.441 2.464 0 40 IEAB COc1ccccc1[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 222892921 FPHFFBTXDRGYEN-KRWDZBQOSA-N 431.558 2.263 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1 225423763 MTJRMDMYRJBDMS-SFHVURJKSA-N 426.535 2.042 0 40 IEAB Cc1n[nH]c(SCCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 226072736 MOQPNNLQXDQCCV-UHFFFAOYSA-N 443.982 2.076 0 40 IEAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3ccccc3Cl)C2)cs1 306129678 IJHDCWPQRLDMRN-OAQYLSRUSA-N 443.960 2.419 0 40 IEAB CC(=O)N[C@@H](CSc1cc(NS(C)(=O)=O)c(Oc2ccccc2)cc1N)C(=O)O 504237939 YOOSAGPDBBVKHG-HNNXBMFYSA-N 439.515 2.114 0 40 IEAB in-vitro NS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)cc1 1848351785 CKCHCJKXHLQQRO-JOCHJYFZSA-N 449.532 2.184 0 40 IEAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)Nc5ccccc5F)C[C@@H]4C3)ncnc21 1888930683 MEEGSSZCJHJCNX-GJZGRUSLSA-N 425.468 2.212 0 40 IEAB O=C1CNC(=O)C2(CC=CC[C@H]3COCC[C@H]3N1)CCN(Cc1ccc(F)cc1)CC2 2037818697 NJYABFWIDXBTMC-PZJWPPBQSA-N 429.536 2.395 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cc(Br)ccc1O 8984822 MCYONRUXJOZHJY-HNNXBMFYSA-N 436.258 2.212 0 40 IEAB COc1ccc(-n2c(SCC(=O)N[C@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 9493707 QQGWFKUUYPJRJU-AWEZNQCLSA-N 431.539 2.430 0 40 IEAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccccc3F)c2=O)cc1 9825351 VVSGXVAHWKZJCK-UHFFFAOYSA-N 434.427 2.393 0 40 IEAB CCN(CC)CCn1c(C)cn2c3c(=O)n(Cc4cc(C)ccc4C)c(=O)n(C)c3nc12 10233408 FYBZYZKUGVFARB-UHFFFAOYSA-N 436.560 2.465 0 40 IEAB CCN(CC)CCN1C(=O)[C@@H]2CN(Cc3ccncc3)C[C@]2(C)NC(=O)c2ccccc21 12231888 MRXZSRRCWJWLDD-OFVILXPXSA-N 435.572 2.391 0 40 IEAB Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)ccc1Br 12697961 FOEUKGHMZDPFSL-UHFFFAOYSA-N 444.395 2.076 0 40 IEAB C[C@@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccc(Br)cc1 12793259 RAUOFZZVRMQHMV-GFCCVEGCSA-N 430.310 2.376 0 40 IEAB COC(=O)c1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 12922468 KEOUVDVGQLRYSQ-FMIVXFBMSA-N 428.510 2.161 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nn3cnc4ccccc43)c2c1 12937480 KMELFYJSDSAYPU-UHFFFAOYSA-N 439.497 2.292 0 40 IEAB CCc1cccc(N2C[C@@H](C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)CC2=O)c1 12977589 KSLVNWUTWZPWKY-FQEVSTJZSA-N 434.540 2.385 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(S(N)(=O)=O)c3)cc2)CC1 13037974 RCITYGAXUQCCTG-UHFFFAOYSA-N 437.543 2.007 0 40 IEAB O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccccc2N1 14345481 HLZKSUNDQQUIOY-QGZVFWFLSA-N 433.917 2.299 0 40 IEAB C[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(S(N)(=O)=O)cc1 17852055 WJMCGODZUFQFBI-SNVBAGLBSA-N 430.267 2.430 0 40 IEAB O=C(c1ccco1)N1CCN([C@H](c2ccccc2F)c2nnnn2C[C@H]2CCCO2)CC1 19347845 HQHGFIXEFFYWIC-OXQOHEQNSA-N 440.479 2.132 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 19710494 NHKBPYXANMLWMV-UHFFFAOYSA-N 441.507 2.347 0 40 IEAB CCOc1ccc(NC(=O)[C@H](C)NC(=O)Nc2ccccc2)cc1S(=O)(=O)N(C)C 24329243 LCPRJSNXJQCEOK-AWEZNQCLSA-N 434.518 2.484 0 40 IEAB COC(=O)C1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCCCC1 25174891 LBFIMNPSRSEUMJ-OAHLLOKOSA-N 426.510 2.219 0 40 IEAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1nc2ccccc2c(=O)[nH]1 35388071 YJKOZZCLPQRXKQ-LLVKDONJSA-N 425.514 2.031 0 40 IEAB O=C(NCCS(=O)(=O)NCc1ccccc1)c1ccc(I)cc1 36391171 MDIFYGPFAMMAIY-UHFFFAOYSA-N 444.294 2.141 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)o1 46749748 WSHBFTWVLSJZSP-GOSISDBHSA-N 446.525 2.409 0 40 IEAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3[C@H](O)[C@@]21C 49662071 KJPDWMMNIXDJJC-HWQCPVIPSA-N 428.529 2.322 0 40 IEAB Cc1cc(C)c(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)c(C)c1 57520535 ZUTVBBWZPLTCGG-UHFFFAOYSA-N 427.530 2.321 0 40 IEAB CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)o1 59005046 POGUNBDWPYFEAY-SFHVURJKSA-N 443.428 2.099 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)N(CC)c4cccc(C)c4)c(=O)c3s2)CC1 67225874 STRRAEREYSYYGZ-UHFFFAOYSA-N 440.573 2.356 0 40 IEAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc(=O)c2ccccc2o1 70933453 FXPPAETYBINLNL-UHFFFAOYSA-N 427.482 2.019 0 40 IEAB O=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 97161281 NYCOFNGSCDPWIL-NRFANRHFSA-N 449.486 2.216 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)CC1 220356760 UBJOJTGONJLDES-CQSZACIVSA-N 431.942 2.104 0 40 IEAB COc1cccc(O[C@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224322292 PSHHIYIHDMBQCW-QGZVFWFLSA-N 448.541 2.442 0 40 IEAB CS(=O)(=O)c1ccc(CCC(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)cc1 225626905 XZXZAVPZGFAFFU-UHFFFAOYSA-N 440.525 2.277 0 40 IEAB O=C(CCCn1ccnc1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257300572 RUVXIIQGHBHXJE-VDKIKQQVSA-N 440.588 2.353 0 40 IEAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)CCc1ccc(OC)cc1)CC2 257336732 YPUCDMRHACLLMX-GOSISDBHSA-N 437.544 2.380 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OC 408608840 PXVRLSSSHZSWES-LLVKDONJSA-N 426.878 2.441 0 40 IEAB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1 408660788 VHZCFEJLFRWUQC-KRWDZBQOSA-N 438.436 2.211 0 40 IEAB COc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@H]3O)cc1OC 408979880 DFMMTBMNMYNNJA-OAQYLSRUSA-N 431.448 2.379 0 40 IEAB COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc1OC 409097979 PALHGLMJZSAFBT-MRACZJACSA-N 443.861 2.498 0 40 IEAB O=C(COc1ccc(Cl)cc1)N1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 614569705 SACBUVFXXNWFJD-IBGZPJMESA-N 445.878 2.334 0 40 IEAB Cn1c(=O)nc(O)c2cc(C(=O)N[C@@H]3CCC[C@H]4CN(Cc5ccccc5)C[C@H]43)cnc21 680269029 JNYOLWKUTUHVTG-PWIZWCRZSA-N 433.512 2.065 0 40 IEAB C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCC2(CCN(C)C2=O)CC1 683673246 SBCRIJBBYJUCBS-ZDUSSCGKSA-N 438.450 2.323 0 40 IEAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(C)c(F)c4)C[C@H]23)n1 1549160749 BGNQGVCOJKDFAW-KRWDZBQOSA-N 426.452 2.160 0 40 IEAB CCn1cnc2c(N3C[C@@H]4CN(S(=O)(=O)Cc5ccc(C)cc5)C[C@H]4C3)ncnc21 1888930619 KCLHUYKWLWVFRX-QZTJIDSGSA-N 426.546 2.053 0 40 IEAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(CC(=O)NC[C@H]3CCCO3)c12 2061579 KMBZKANPCUTVOD-LTKMBJGESA-N 426.542 2.186 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 3333790 ROQOALNHADZLFM-AWEZNQCLSA-N 432.498 2.033 0 40 IEAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(N(C)C)cc2)c2c(n(C)c(=O)n(C)c2=O)N1 4193796 PEPGTAUDDSXQEN-GOSISDBHSA-N 426.517 2.181 0 40 IEAB CCc1ccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1 8710212 OJCNYWWKGPWZNR-UHFFFAOYSA-N 436.560 2.487 0 40 IEAB COc1ccc(CCNC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1OC 8825382 NUNFHDCZFIUNAF-UHFFFAOYSA-N 449.525 2.078 0 40 IEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC[C@H]2c2cccs2)cc1)N1CCOCC1 9818271 SCVCQFHFVKXPSZ-KRWDZBQOSA-N 442.584 2.295 0 40 IEAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 10219528 KRGSZFJJMCHENK-UHFFFAOYSA-N 445.453 2.319 0 40 IEAB COc1cc(OC)c([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC 12507609 HOLGMIPPLZJUFX-LJQANCHMSA-N 425.445 2.320 0 40 IEAB C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCc2ccccc21 12609084 KAULNWSAOSZSLU-KRWDZBQOSA-N 429.542 2.487 0 40 IEAB O=C(COc1ccc(F)cc1)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036800 MBIGWEZZJWIYEB-UHFFFAOYSA-N 433.447 2.077 0 40 IEAB CCOc1ccc([C@@H]2C/C(=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2C(C)=O)cc1 13591044 ADEFCNBGNLFWRA-LCPUNJGISA-N 448.479 2.416 0 40 IEAB C[C@H](NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C(=O)Nc1nccs1 13690236 MGJUCMUITZOPKI-ZDUSSCGKSA-N 426.502 2.119 0 40 IEAB COc1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1Cc1ccccc1 14253195 JRCJMBRGNCDPKX-UHFFFAOYSA-N 430.464 2.484 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 17303053 LHWWHIZABIBIJI-DEOSSOPVSA-N 447.495 2.280 0 40 IEAB CCOc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)/C=C/C(=O)O)C2=O)cc1 18122687 TWQNFEXKBQNXEU-SJFMBGHLSA-N 436.464 2.429 0 40 IEAB 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O=c1[nH]c2ccc(S(=O)(=O)N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)cc2[nH]1 71800599 UUNYCBNNTONEFG-UHFFFAOYSA-N 440.447 2.382 0 40 IEAB COc1ccc2c(c1)NC1(CCN(C(=O)C[C@H]3C[C@@H](C(C)=O)C3(C)C)CC1)NS2(=O)=O 72327965 RUIVRYHMRGEATE-WBVHZDCISA-N 449.573 2.359 0 40 IEAB CC(C)NC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CC2 77099820 ZBNPSBKRUISMIP-UHFFFAOYSA-N 438.531 2.191 0 40 IEAB CN(Cc1ccccn1)C(=O)c1ncn2c1CN(CC1CC1)S(=O)(=O)c1ccccc1-2 96266204 VGWZLGFCAUANBI-UHFFFAOYSA-N 437.525 2.454 0 40 IEAB CCOC(=O)/C=c1/s/c(=C/c2ccsc2)c(=O)n1CC(=O)N[C@@H](C)c1ccccc1 105763665 LHTPQSDJSAKCQP-AFJQZQTNSA-N 442.562 2.021 0 40 IEAB CCOc1ccc(Cl)cc1S(=O)(=O)NCCNS(=O)(=O)c1ccc(C)cc1 223003498 KRPHMEWVBSPXMW-UHFFFAOYSA-N 432.951 2.304 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223784677 OHFXDUNCXNVEKF-MRXNPFEDSA-N 435.521 2.145 0 40 IEAB C[C@]1(C(=O)N2CCOCC2)CN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CCO1 257221267 DOFKNAODCYFVMW-XMMPIXPASA-N 439.512 2.367 0 40 IEAB Cc1nc2cc([C@@H]3CCN(C(=O)C(C)(C)C)C3)nn2c(C)c1CCC(=O)N1CCOCC1 257233064 GNOUQSQHGGJJCU-GOSISDBHSA-N 441.576 2.500 0 40 IEAB COCCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408767544 MIYAHUUKOZDYEQ-UHFFFAOYSA-N 436.530 2.047 0 40 IEAB Cn1c(C(F)(F)F)nn(C2CCN(CC(=O)Nc3nc4ccccc4s3)CC2)c1=O 575615262 GMANGLNNAIAOQU-UHFFFAOYSA-N 440.451 2.486 0 40 IEAB O=C(NC[C@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1630966929 WPADQOKTLIOOHJ-VUBSUSDNSA-N 434.945 2.384 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC3(CC=CCCOc4ccccc4C(=O)NC3)CC2)c1 2037844046 LWKJGUFDCXSSOA-UHFFFAOYSA-N 444.557 2.350 0 40 IEAB CC(=O)N[C@H]1CC2(CCN(C(=O)COc3ccccc3C(C)(C)C)CC2)OC[C@]1(C)O 2037885156 PUUHTOABUDZQID-REWPJTCUSA-N 432.561 2.400 0 40 IEAB O=C(NC1CCCC1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)c2cnn3ccccc23)C1 2055785542 PDEGXECZQKHHRG-DEOSSOPVSA-N 447.543 2.467 0 40 IEAB O=C(NC1CCCCC1)NC1CCN(Cc2nnnn2Cc2ccc3c(c2)OCO3)CC1 1346099 IYEXNMPWAUCUKR-UHFFFAOYSA-N 441.536 2.046 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 2630121 CTWWESLBIZEGDO-KRWDZBQOSA-N 446.481 2.059 0 40 IEAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 2951976 MGDJQDLUPNIHDU-UHFFFAOYSA-N 447.413 2.219 0 40 IEAB COc1ccc(-n2c(C)cn3c4c(=O)n(CC(=O)c5ccccc5)c(=O)n(C)c4nc23)cc1 6444283 XKQFGOCHVPYGOA-UHFFFAOYSA-N 443.463 2.339 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 8425265 QLXWGLKQYNQZJA-UBXANZILSA-N 448.500 2.334 0 40 IEAB O=C(CN(C[C@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1)NCc1ccccc1 8680669 DTFULHZIJPGYDH-QGZVFWFLSA-N 430.530 2.186 0 40 IEAB CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)C[C@@H]1NC(=O)NC1=O 8690854 IVBVVOVYPYPZNZ-HRAATJIYSA-N 434.562 2.292 0 40 IEAB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)NCCN1C(=O)CSC1=O 8825810 BUHWWFOOBNQSNT-UHFFFAOYSA-N 446.456 2.373 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)[C@@H]2c2ccccc2)cc1 9426192 OXJXOCFJTVFKQI-FQEVSTJZSA-N 431.514 2.153 0 40 IEAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)CCCc2ccccc2)CC1 9570178 MVKNNRUBMMAATQ-UHFFFAOYSA-N 445.585 2.286 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1 11694152 OZOZHMCCBIVDEQ-UHFFFAOYSA-N 431.489 2.409 0 40 IEAB CCOc1cccc2cc(C(=O)NCCn3nc(-c4cccnc4)ccc3=O)c(=O)oc12 11743783 WZDVYFKIROXOBD-UHFFFAOYSA-N 432.436 2.240 0 40 IEAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cc1 16048339 LZMPHEUPJKNNNG-JOCHJYFZSA-N 444.438 2.137 0 40 IEAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 19552878 FECHFSDSBLPRBP-UHFFFAOYSA-N 427.505 2.493 0 40 IEAB Cc1nn(CC(C)C)cc1S(=O)(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19741925 SSQPVJPWIZZOQK-QGZVFWFLSA-N 446.577 2.381 0 40 IEAB CC(C)Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 19852571 OTZHBYANTHBODA-UHFFFAOYSA-N 433.534 2.226 0 40 IEAB O=C(Cn1nc2c(c1NC(=O)CSc1ccncc1)CSC2)NC[C@H]1CCCO1 23139184 YXTPLWARRQXHJD-CYBMUJFWSA-N 433.559 2.051 0 40 IEAB CCOC(=O)c1ccc(N2CCN(CN3C(=O)C(=O)c4c(Cl)ccc(F)c43)CC2)nc1 23145233 CCLBORZKFNGTIC-UHFFFAOYSA-N 446.866 2.360 0 40 IEAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@@](C)(c3ccccc3)C1=O)O[C@@H](C)C2 23819936 QJSZTEYUZMWEIV-OWJWWREXSA-N 437.496 2.492 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3cccnc3)c12 25706019 HLMQCMFQUUAYFL-INIZCTEOSA-N 425.514 2.302 0 40 IEAB O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1 32103543 SQEXVQAUPLOBLR-GOSISDBHSA-N 438.503 2.034 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCCC4)CC2)o1 32704177 GSENAYGATODKRB-UHFFFAOYSA-N 446.525 2.482 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOc3ccc(C)cc3C)CC2)cc1 32870525 FIQODPLZEXDPQL-UHFFFAOYSA-N 447.557 2.407 0 40 IEAB CCOC(=O)C1=C(COC(=O)C(O)(c2ccccc2)c2ccccc2)NC(=O)N[C@H]1CC 32910561 XCUMQKXGQUFQTH-SFHVURJKSA-N 438.480 2.374 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@@H](C)c1ccc3c(c1)OCCO3)O2 222713794 BSUUEIDYJPTXRD-XOBRGWDASA-N 432.498 2.171 0 40 IEAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@@H](C)C(=O)NCCCO)cc1 222958892 LQTDVWXWJGYXFT-KRWDZBQOSA-N 444.528 2.171 0 40 IEAB CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc2cccc(F)c2C)[C@H]1c1ccccc1 257230283 GBOQNUKABUFOHP-FUDKSRODSA-N 440.519 2.481 0 40 IEAB C[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cccc(F)c1)S(C)(=O)=O 260934937 NPNBJBWYQYESCM-KGLIPLIRSA-N 442.534 2.261 0 40 IEAB O=S1(=O)CCN(S(=O)(=O)c2cccc3nsnc23)CC[C@H]1c1cccs1 390831420 RSIAIYRQZYHOEG-ZDUSSCGKSA-N 429.570 2.303 0 40 IEAB CCOc1cc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)cc(Br)c1OC 409210060 KPXMJTWIABDGHV-GHXNOFRVSA-N 443.319 2.429 0 40 IEAB COc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2cccs2)c(=O)[nH]1 2712447 FPMDBDDUCPINDY-UHFFFAOYSA-N 431.499 2.405 0 40 IEAB CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1C(=O)O 3212112 DDTPPBNCDOFEFP-UHFFFAOYSA-N 438.889 2.336 0 40 IEAB Cc1ccc(C)c(NC(=O)COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)c1 3445682 MSAVLMITNPWTQX-UHFFFAOYSA-N 429.498 2.304 0 40 IEAB Cc1cn2c3c(=O)n(CC(=O)c4ccc(F)cc4)c(=O)n(C)c3nc2n1Cc1ccco1 6444637 UIVVSBVOCVHKKM-UHFFFAOYSA-N 435.415 2.121 0 40 IEAB CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccccc1OC 8672388 KZLHQJFQPAPRMQ-UHFFFAOYSA-N 447.542 2.352 0 40 IEAB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)N[C@H]1CCS(=O)(=O)C1 8684938 UZXWFXMLKLTHHA-ZDUSSCGKSA-N 430.507 2.423 0 40 IEAB CC(=O)N1CCN(c2ccc(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc2)CC1 9295616 OSPXSGITEKUELK-UHFFFAOYSA-N 442.903 2.373 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 9806839 PXRMEKLSCUCVQU-GOSISDBHSA-N 445.541 2.220 0 40 IEAB C[C@@H]1C[C@H](OC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)O1 9835344 JYMQMAIGGKJKIQ-ABAIWWIYSA-N 435.420 2.353 0 40 IEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)C2=O 9913125 AGZSJBLZOHTGLB-QMHKHESXSA-N 426.517 2.364 0 40 IEAB CS(=O)(=O)c1cnc(-c2ccccn2)nc1C1CCN(C(=O)c2cscn2)CC1 12133061 RQIHYEDEPNBQKC-UHFFFAOYSA-N 429.527 2.418 0 40 IEAB C[C@@H](Sc1nnnn1C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 12548941 DCQXJDCZFXMXPQ-LLVKDONJSA-N 444.970 2.157 0 40 IEAB CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1)c1ccc(C)cc1 12784984 DJUZCHDPVPDGCY-LJQANCHMSA-N 446.573 2.101 0 40 IEAB COc1ccccc1CNC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 12915458 LUCPPYRCOXPXQF-IBGZPJMESA-N 445.585 2.405 0 40 IEAB CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 14165944 HFPGQTJTVQXFHZ-JOCHJYFZSA-N 440.525 2.440 0 40 IEAB Cc1ccccc1Nc1nc(N)nc(CSc2ccc(S(=O)(=O)N(C)C)cn2)n1 16097237 MRVPLXVGDHOHFZ-UHFFFAOYSA-N 431.547 2.443 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN(C)c3ccccc3)CC2)cc1 16278937 ZHZRSNSPAZYAOG-UHFFFAOYSA-N 431.558 2.349 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C)CCc1ccccc1 18115740 LSJJBVBTMLMDDK-QGZVFWFLSA-N 432.542 2.467 0 40 IEAB C[C@@H](C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)N1CCOCC1 19079944 OHMLQRAVOZVYGK-KRWDZBQOSA-N 429.540 2.028 0 40 IEAB Cc1ccc(C2(CN3CCC(NC(=O)[C@H](C)N4C(=O)NC(C)(C)C4=O)CC3)CC2)cc1 19208328 OKTCUEVDDMPCDM-KRWDZBQOSA-N 426.561 2.326 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)CN2CCCCC2)CCO1 19702941 QVIFNZABHBOCCZ-KRWDZBQOSA-N 446.573 2.058 0 40 IEAB Cn1c(=O)c2ccc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)nc2n(C)c1=O 19743477 FZQHTDRGHYARQH-OAHLLOKOSA-N 431.496 2.062 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20567037 OZDKFGNLZARCIL-IBGZPJMESA-N 425.485 2.027 0 40 IEAB O=C(c1cccnc1N1CCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 23846727 RMVJAZGUBREIED-UHFFFAOYSA-N 434.949 2.482 0 40 IEAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@@H](C)N1CCOCC1 24682235 KOCGVKWGKDEIQT-SNVBAGLBSA-N 427.748 2.110 0 40 IEAB COc1ccc(-c2nc(COC(=O)c3cc(S(N)(=O)=O)cn3C)cs2)cc1OC 26268028 QHNJNXSTOSZCPX-UHFFFAOYSA-N 437.499 2.170 0 40 IEAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32719074 VLLOAAMRZXELRF-KRWDZBQOSA-N 441.484 2.245 0 40 IEAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 32810471 GOJWEAMXSNFECF-VQTJNVASSA-N 427.476 2.463 0 40 IEAB C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 36383367 YWNXLQPQTASZEI-HXOBKFHXSA-N 435.524 2.487 0 40 IEAB Cn1cc(C(=O)N2CCCCCC2)cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1=O 36685908 UUXVFZJNMUXBKR-KRWDZBQOSA-N 436.512 2.393 0 40 IEAB CN(Cc1cccc(Cl)c1Cl)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 36877401 PIODQSNICVANEH-UHFFFAOYSA-N 438.315 2.179 0 40 IEAB Cn1cc(C(=O)N2CCCC2)cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1=O 38492532 HIRZRYKSTRJSTE-CQSZACIVSA-N 442.903 2.266 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NCCCOC(C)C)c1 40049159 OBKIVTQVRZCWPQ-UHFFFAOYSA-N 429.583 2.320 0 40 IEAB Cn1nc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c2ccccc2c1=O 58532133 RTAQCOQCSDGZGT-UHFFFAOYSA-N 440.525 2.038 0 40 IEAB Cc1cc(NC(=O)CN(C)C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)no1 59363891 SQPWHFZQXCALGI-AWEZNQCLSA-N 435.278 2.196 0 40 IEAB CCN(CC)c1ccc(NC(=O)Cn2c(N3CCOCC3)nc(COC)cc2=O)c(C)c1 67319468 IBOTUOWNOAEHPK-UHFFFAOYSA-N 443.548 2.020 0 40 IEAB COC(=O)[C@@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1 72190141 PFGVNLZDWRZPJW-ZHRRBRCNSA-N 446.507 2.421 0 40 IEAB investigational C[C@@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)C1 72335933 MYZWTFPSFYSSEY-WBVHZDCISA-N 436.578 2.001 0 40 IEAB COc1ccc(C[C@@H](CO)CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1O 79076297 MPHYKLXRQBJJSP-AUSIDOKSSA-N 428.529 2.052 0 40 IEAB COCCN(C[C@H](O)COc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(C)cc1 95117086 QJWLOZNPIASHLS-IBGZPJMESA-N 436.530 2.030 0 40 IEAB COC(=O)c1cn(C2CCN(C(=O)CCCc3nc(-c4cccs4)no3)CC2)nn1 95940316 ZVBGOYOREVYHMP-UHFFFAOYSA-N 430.490 2.363 0 40 IEAB O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 100320996 BLQNOXBKIODJEG-ZRPANINJSA-N 444.443 2.008 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102806064 RMXJWBXZSWAJFS-HDICACEKSA-N 447.557 2.305 0 40 IEAB COC(=O)c1cn(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc12 222598499 JFGXRSCOUOXNMR-UHFFFAOYSA-N 442.493 2.446 0 40 IEAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC)cc1 222713957 SSQGVLFBHXLNDZ-KRWDZBQOSA-N 431.558 2.081 0 40 IEAB COc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1N1CCCC1=O 223889744 HQSNVRWEIOHLPY-UHFFFAOYSA-N 432.498 2.414 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(CC(N)=O)cc2)cc1Cl 226061850 AQMOKILQNQVWQM-UHFFFAOYSA-N 439.921 2.026 0 40 IEAB CCN1CCN(CCCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@]32NC(=O)c3ccccc3O2)CC1 249680123 AIQUNPWMCHPCJV-JRINMYIISA-N 440.588 2.085 0 40 IEAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)COc1c(C)cccc1C)CC2 257253766 KAFRLMKPLDWVQV-GOSISDBHSA-N 437.544 2.435 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@H](C)c2cc(OC)ccc2OC)Oc2ccccc21 260772563 ZGPXNOHIRGMSEM-JLTOFOAXSA-N 434.514 2.498 0 40 IEAB Cc1ccccc1CC(=O)N1CCc2nc3n(c(=O)c2C1)CC[C@]31CCN(CC2CC2)C1 306126607 DZZNXWGKCZVUDR-SANMLTNESA-N 432.568 2.436 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCCN(c2cc(C)ccc2C)S(C)(=O)=O)CC1 408705615 KALHVWIINCBPFE-UHFFFAOYSA-N 425.551 2.150 0 40 IEAB CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 513901200 OKGJANBKJLDQOH-UHFFFAOYSA-N 444.373 2.049 0 40 IEAB COc1cc(OC)cc(C2(F)CCN(C(=O)[C@@](C)(O)Cn3ccc(C)cc3=O)CC2)c1 549534456 YBZWMTPDSOUSME-QFIPXVFZSA-N 432.492 2.412 0 40 IEAB CSCc1nc2ccccc2n1CC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1649081442 PKNBWNCXWSLJBP-UHFFFAOYSA-N 437.525 2.268 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc4c(c3)OCO4)CC2)cc1 1365488 ZMHOJJPSAZCIFE-UHFFFAOYSA-N 446.525 2.184 0 40 IEAB Cc1cccc(C)c1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O 2648450 WUSATXQMMNOCNL-UHFFFAOYSA-N 439.559 2.104 0 40 IEAB O=C(NCCc1ccccc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 4034965 WIMGKGMBXJVERQ-MRXNPFEDSA-N 430.555 2.451 0 40 IEAB COc1ccc(CCn2nnnc2[C@@H](CC(C)C)N2CCC(C(N)=O)CC2)cc1OC 4875489 RXUJAKHODNAHJT-GOSISDBHSA-N 430.553 2.218 0 40 IEAB COCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 6904903 XWWCRFGDWAQUPY-UHFFFAOYSA-N 441.347 2.403 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)NC4CC4)cc3)n2)cc1OC 8680680 LMOASOOHQGPRTQ-UHFFFAOYSA-N 448.479 2.458 0 40 IEAB O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)[C@H]1Cc1ccccn1 8782235 MCDPAOOVUGJIFZ-LBPRGKRZSA-N 441.797 2.498 0 40 IEAB COc1ccccc1NC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2cccnc21 9830965 KLSBXGLENSSDJQ-UHFFFAOYSA-N 430.464 2.448 0 40 IEAB CCCn1c(SCC(=O)N2CCN(S(C)(=O)=O)CC2)nc2cc(Cl)ccc21 11235794 GURKSUCUGCOLLF-UHFFFAOYSA-N 430.983 2.296 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 11306060 ROROIJUFFDJGBE-AWEZNQCLSA-N 436.461 2.267 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C1 12140135 OKOOCYCWPRKYIG-CYBMUJFWSA-N 427.482 2.243 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)Nc4cc(F)ccc43)CC2)c(C)c1 12794817 HTQWJWOHAQPMME-SFHVURJKSA-N 445.516 2.401 0 40 IEAB CC(CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)(c1ccccc1)c1ccccc1 13008674 QDCCPWDMYPTEDI-WIYYLYMNSA-N 440.565 2.144 0 40 IEAB COc1ccc(Nc2nc(N3CCOCC3)nc(N)c2S(=O)(=O)c2ccccc2)cc1 13568025 KJYAYKUHKUCGHN-UHFFFAOYSA-N 441.513 2.480 0 40 IEAB CCOc1ccccc1NC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 15047813 WLFZRJNOWAUJMI-NRFANRHFSA-N 425.485 2.150 0 40 IEAB CCc1cccc2c1NC(=O)[C@@]21N[C@@H]([C@@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 16020715 FIWJEROXCFEZOZ-YBNXSDARSA-N 425.529 2.073 0 40 IEAB COc1cccc(N2C(=O)[C@H]3C=C[C@H](n4nc(O)n(Cc5ccccc5)c4=O)C[C@@H]3C2=O)c1 16228045 XQNXNMMTUFNFLS-IHPCNDPISA-N 446.463 2.114 0 40 IEAB CC(=O)N1CCCN(CC(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@H](c3csnn3)C2)CC1 19017665 FZVQEPIPBNOLFI-MOPGFXCFSA-N 447.992 2.455 0 40 IEAB COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)C[C@@H]1CCS(=O)(=O)C1)cn2C 19287115 MFCVMYHQOILJGG-HNNXBMFYSA-N 442.541 2.393 0 40 IEAB COc1ccccc1-c1cc(COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)on1 22187803 MVZUWZDAKZNKBS-UHFFFAOYSA-N 428.422 2.238 0 40 IEAB CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 35314531 BCJWMLUSRLMYTH-NRFANRHFSA-N 432.540 2.496 0 40 IEAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(=O)NCCCOC)c12 39556691 DGRJRCGXWNLHGD-PDGQHHTCSA-N 428.558 2.386 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 40090870 MGQSYXQADMTIOR-GASCZTMLSA-N 449.511 2.003 0 40 IEAB O=S(=O)(c1ccc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1)C(F)F 40139300 BBJWICHZXWVRPI-UHFFFAOYSA-N 434.461 2.333 0 40 IEAB CCOc1ccccc1NC(=O)Cn1cnc2nc(N3CCSCC3)sc2c1=O 45970712 QAIUIFUVXHRERF-UHFFFAOYSA-N 431.543 2.444 0 40 IEAB CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)CC(C)C 48355331 YDDDOQRZIOJRSK-LJQANCHMSA-N 427.553 2.486 0 40 IEAB COc1ccc(N[C@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 57713741 IVDAEEGVYHHXKR-IXDOHACOSA-N 439.578 2.021 0 40 IEAB Cc1cc(C(=O)COc2cccc(S(C)(=O)=O)c2)c(C)n1[C@H]1CCS(=O)(=O)C1 58425742 MKRKETWNFKQYJP-HNNXBMFYSA-N 425.528 2.130 0 40 IEAB COC(=O)c1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c[nH]1 95447955 MCCRIFWHMHLSBA-UHFFFAOYSA-N 447.922 2.040 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccccc2OCC(=O)O)C(C)C)cc1 95970650 KPEFVHWAGHSPEP-FQEVSTJZSA-N 434.514 2.078 0 40 IEAB C[C@H]1CCCN(c2ncc3c(n2)[C@H]2CN(C(=O)c4ccccc4)C[C@H]2S(=O)(=O)C3)C1 96251983 YWMYTIXFKXNNHF-ZYSHUDEJSA-N 426.542 2.250 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)C3)cc2n1 100137853 JBGJFUUUCZZKIS-INIZCTEOSA-N 428.514 2.096 0 40 IEAB COc1cc(C(=O)/N=c2/sc3ccccc3n2C)ccc1OCC(=O)N1CCOCC1 104992819 TWPNAGARQRPXAN-GHVJWSGMSA-N 441.509 2.227 0 40 IEAB COc1cc(NC(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)ccc1Cl 224322364 FQARWEQLHBTTOT-UHFFFAOYSA-N 432.912 2.329 0 40 IEAB Cc1ccc2c(c1)O[C@H](C(=O)N[C@H](C)c1ccc3c(c1)OCCO3)CN2S(C)(=O)=O 260828871 DNSQAXHIQPFOAY-VLIAUNLRSA-N 432.498 2.171 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccccc2CN2CCCC2)Oc2ccccc21 260892729 FEWJHHNDIQGGSN-OAQYLSRUSA-N 429.542 2.126 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1NC(=O)c1ccccc1 408586714 AZOBADPFQUUEAY-UHFFFAOYSA-N 447.557 2.338 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)ccc1Br 408657423 KBHIWHLOLKQOLC-BMEPFDOTSA-N 449.301 2.270 0 40 IEAB Cn1c(C(=O)NCCN2C(=O)[C@H](C(N)=O)[C@H]3C[C@@]2(C)Oc2ccccc23)cc2ccccc21 524730104 WARFPDSHJCOUEX-SBJAYZTMSA-N 446.507 2.134 0 40 IEAB biogenic Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H]3CCCN3c3ncccn3)CC2)c(C)c1 673841696 DGKIQBLZYFGGIE-VQTJNVASSA-N 437.544 2.201 0 40 IEAB O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888926772 XZTOZSBHNBZIBO-LBPRGKRZSA-N 435.456 2.370 0 40 IEAB COCC(=O)N1CCC[C@H](c2nc(=O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3[nH]2)C1 1334385 AYSZGZIXWRZGAV-INIZCTEOSA-N 438.532 2.213 0 40 IEAB COc1ccc(NC(=O)CS[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1 2230860 LIJNMPVHNROORX-GOSISDBHSA-N 428.466 2.470 0 40 IEAB CCN(CC)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 3323442 VVAXHRTVPDNCET-UHFFFAOYSA-N 446.525 2.472 0 40 IEAB CC1=NN(Cc2ccccc2)c2nc3c(c(=O)n(Cc4ccccc4F)c(=O)n3C)n2C1 8706229 QHLSKBQMSGQXNX-UHFFFAOYSA-N 432.459 2.480 0 40 IEAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 8735938 ZFXHPLQAMPBMTR-IBGZPJMESA-N 443.525 2.288 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 8751756 GPRPXZHSCPHJHN-BVZFJXPGSA-N 449.507 2.459 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)O 8791317 VIABPXCUXYVHTH-DKIXSGTJSA-N 447.557 2.155 0 40 IEAB biogenic COc1ccc(-n2nc3c(c2NC(=O)COc2ccccc2F)CS(=O)(=O)C3)cc1 8910351 SKJIDRSDISUFSY-UHFFFAOYSA-N 431.445 2.466 0 40 IEAB O=S(=O)(O)c1ccc2c(c1)OCCOCCOc1ccccc1OCCOCCO2 8955184 SGBLZPSVYQAVRL-UHFFFAOYSA-N 440.470 2.196 0 40 IEAB Cn1c(=O)c(C(=O)CSc2ncnc3sccc23)c(N)n(Cc2ccccc2)c1=O 9125804 XBLPKYLAHIWNHB-UHFFFAOYSA-N 439.522 2.157 0 40 IEAB COc1ccc(C2=NC3(CCN(CC(=O)Nc4cc(F)ccc4F)CC3)NC2=O)cc1 9526769 ILELQLCGCJMIAG-UHFFFAOYSA-N 428.439 2.323 0 40 IEAB C[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9668841 MOMKHCULEVSQCE-NSHDSACASA-N 442.526 2.283 0 40 IEAB CSc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 10288528 AYKMUZMYJVWAQW-UHFFFAOYSA-N 426.585 2.412 0 40 IEAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1cnc2ccccc2c1=O 12185205 BSZZPINIAWPUIL-HNNXBMFYSA-N 435.509 2.277 0 40 IEAB CCN(C(=O)CSc1nnc2cc(C)c3ccc(OC)cc3n12)[C@@H]1CCS(=O)(=O)C1 13038672 KINOHWPXLDGVGP-CQSZACIVSA-N 448.570 2.327 0 40 IEAB COc1cc2c(cc1OC)CN1C(=O)N(CCCC(=O)Nc3nccs3)C(=O)[C@@H]1C2 13729826 PIRSWAGXSKUYTI-AWEZNQCLSA-N 430.486 2.268 0 40 IEAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cc1 14161520 FJGDFPLYYCISQK-DNVCBOLYSA-N 445.541 2.120 0 40 IEAB CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1Br 14830595 FERQFTMJFWOPMN-UHFFFAOYSA-N 426.292 2.051 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)cc1 15378730 CHWIROVNMPIICY-UHFFFAOYSA-N 443.525 2.251 0 40 IEAB CN1C[C@H](C(=O)NCCn2ncc(-c3ccc(Cl)cc3)c2-c2nccn2C)CC1=O 19291730 KAWTURJZUNQQQP-OAHLLOKOSA-N 426.908 2.199 0 40 IEAB CC(=O)N1CCC[C@H](c2nc(CN(C)S(=O)(=O)c3ccccc3)cc(N(C)C)n2)C1 19709712 HTAAEWZRERPMIX-KRWDZBQOSA-N 431.562 2.089 0 40 IEAB CC1CCN(CCNC(=O)CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 19748756 NDYQWESNJYWEMG-UHFFFAOYSA-N 425.570 2.465 0 40 IEAB Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)o1 19759591 ISAOVVRYFQUFPJ-HXUWFJFHSA-N 438.484 2.118 0 40 IEAB CC(C)C[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)N1CCOCC1 22611711 IYDTUCNEBNWWTR-GOSISDBHSA-N 440.382 2.432 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 23751530 WPRUPQPGEPRAPM-LFVRLGFBSA-N 447.532 2.465 0 40 IEAB O=C([C@@H]1CN(Cc2nc(=O)c3oc4ccccc4c3[nH]2)c2ccccc2O1)N1CCOCC1 29142853 ZERPKMTYSMZNJE-IBGZPJMESA-N 446.463 2.296 0 40 IEAB COc1cc(OC)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1Cl 32073815 ZYYCWKWXHSBUCL-CYBMUJFWSA-N 431.876 2.465 0 40 IEAB CCOc1ccccc1CN(C[C@H](C)O)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 40138978 YZLLXDPCTGLGDQ-HOTGVXAUSA-N 435.546 2.386 0 40 IEAB NC(=O)c1cnc(-c2ccccc2)n(CC(=O)Nc2ccccc2Br)c1=O 49409928 OAVXJIZKUBGGIV-UHFFFAOYSA-N 427.258 2.410 0 40 IEAB Cc1cc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 59891766 HXRCINAWENGYGU-UHFFFAOYSA-N 437.525 2.359 0 40 IEAB CC(C)(C)OC(=O)NC1CCN(c2ncc(C(=O)NCc3ccccc3)c(N)n2)CC1 67336436 WPWLBNPAHPBMNR-UHFFFAOYSA-N 426.521 2.482 0 40 IEAB OCC1CCC(NC2(Cc3cc(CN4CCN(c5ccccc5)CC4)on3)COC2)CC1 67898461 QJPDJZLYYUVIMK-UHFFFAOYSA-N 440.588 2.449 0 40 IEAB biogenic,in-vitro O=C(CS(=O)(=O)Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1 77301715 XJYKZWIKCBSALL-DJWKRKHSSA-N 447.557 2.327 0 40 IEAB in-vitro COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 89904912 XQOQCLSXIVOGDG-JNFKXCBWSA-N 439.511 2.037 0 40 IEAB COc1ccc([C@@H](CN2CCCC2)NC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 95457335 JUIKTJOJANRLFE-LJQANCHMSA-N 425.485 2.107 0 40 IEAB COC(=O)C[C@H](N)c1cc(I)c(O)c(I)c1 95769064 NCGDFOYDBUJFGL-QMMMGPOBSA-N 447.010 2.164 0 40 IEAB O=C(CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1nccs1 96220978 FQEXWKVJGCANLA-KRWDZBQOSA-N 425.514 2.226 0 40 IEAB biogenic O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 100286124 AIWUHOMYUGXUCX-MUGJNUQGSA-N 440.477 2.031 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 102450156 WKDALELNCCYSQM-SZMVWBNQSA-N 447.557 2.304 0 40 IEAB COc1ccc(CC(=O)N2CC[C@@H]3CN(Cc4cccnc4)S(=O)(=O)[C@@H]3CC2)cc1 107183717 QWKNAICLSYANTN-TZIWHRDSSA-N 429.542 2.086 0 40 IEAB COc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)c1 223914338 JHVZIGNNNMKUSJ-UHFFFAOYSA-N 442.497 2.475 0 40 IEAB CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 225197531 UAPXKPUMALPUKC-KRWDZBQOSA-N 431.558 2.178 0 40 IEAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 260790377 AHUXRJDKOKYHSS-GJZGRUSLSA-N 434.514 2.498 0 40 IEAB CCN(Cc1ccccc1)C(=O)c1cn2c(nc1=O)[C@@]1(CCN(C(=O)NC(C)C)C1)CC2 306134935 OBXVJOMHBGVILU-XMMPIXPASA-N 437.544 2.371 0 40 IEAB CCOC(=O)c1c(N2C(=O)[C@@H]3[C@H]4C=C[C@@](COC(C)=O)(O4)[C@@H]3C2=O)sc2c1CCCC2 409286067 PMVOEUXVNBNOPP-LTSIINAVSA-N 445.493 2.180 0 40 IEAB COc1cc([C@H](CC(=O)N[C@H]2CN3CCC2CC3)c2oc(C)cc(=O)c2O)ccc1O 524730751 VZAONEAAWRGSAA-IRXDYDNUSA-N 428.485 2.100 0 40 IEAB biogenic NC(=O)c1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(C(N)=O)c1 586786146 MJKMSKXNKJMRQG-HXUWFJFHSA-N 430.464 2.384 0 40 IEAB CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)cc1 591159490 HKTWRVFQMBHWOY-AWEZNQCLSA-N 431.514 2.365 0 40 IEAB CCc1nc(N2C[C@@H]3CN(C(=O)c4cncc(Br)c4)C[C@H]3C2)nc(O)c1F 1888875761 FXSRVDZWSQYYMZ-RYUDHWBXSA-N 436.285 2.250 0 40 IEAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2c1c(=O)n(C)c(=O)n2C 778585 TZMRBIQITSARGL-UHFFFAOYSA-N 442.328 2.491 0 40 IEAB CC(C)(C)n1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2 2491977 DSKLPVYQCXSETG-IBGZPJMESA-N 444.454 2.478 0 40 IEAB Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3Cc2ccccc2F)n(C)c1=O 8704204 MKMJOXZFTVRIJG-UHFFFAOYSA-N 436.422 2.136 0 40 IEAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1n2C[C@H](O)CN1c1ccccc1 9009928 PTTZZGNHEIVGRG-QGZVFWFLSA-N 437.887 2.111 0 40 IEAB COc1ccc(Cn2c(-n3nc(C)cc3C)nc3c2c(=O)n(CC(C)C)c(=O)n3C)cc1 11613333 VOEGQHZHMUQUMO-UHFFFAOYSA-N 436.516 2.412 0 40 IEAB O=C(NCc1ccncc1)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 12634097 JQNLSNYEGGEEQE-UHFFFAOYSA-N 425.466 2.219 0 40 IEAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 12662013 YUSWJBZWFPEJFF-ZSEKCTLFSA-N 440.408 2.231 0 40 IEAB biogenic O=C1c2ccccc2C(=O)N1CCc1nnn(C[C@H](O)COc2cccc3ccccc23)n1 12811794 JENVDVOXJLQNOR-KRWDZBQOSA-N 443.463 2.105 0 40 IEAB COc1ccc(CCC(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1OC 13691322 WQEDXJNIVWLMEF-UHFFFAOYSA-N 433.468 2.375 0 40 IEAB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)N(c1ccccc1)S(C)(=O)=O 13711563 ZGMPCBVRRZCMQG-SFHVURJKSA-N 448.497 2.443 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 14236618 SLWKSVLJWNZQMO-MRXNPFEDSA-N 435.502 2.426 0 40 IEAB CCCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC 14291961 RBMBZWCVCJQGDY-UHFFFAOYSA-N 435.521 2.485 0 40 IEAB COc1ccc(CN2CCc3nc([C@@H]4CCN(C(=O)c5cnccn5)C4)nc(O)c3C2)cc1 19555567 UIWVAHNIABLBHD-QGZVFWFLSA-N 446.511 2.169 0 40 IEAB COCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)c4cccs4)C3)cc(=O)[nH]2)CC1 19592754 KKRGQGUSHOLDBO-MRXNPFEDSA-N 444.557 2.204 0 40 IEAB Cc1ncsc1C(=O)N1CCO[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 19759783 BUAHNWPCAWNDPC-IBGZPJMESA-N 440.525 2.278 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CCn3c(=O)cc(C)c4ccccc43)C2)ncc1C(N)=O 19763569 VMIGRNWULARDSV-KRWDZBQOSA-N 433.512 2.304 0 40 IEAB COc1cccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1 19899230 PZWRBMPGXPUKEW-UHFFFAOYSA-N 449.515 2.253 0 40 IEAB O=C(CCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NC[C@H](O)c1ccccc1 20745224 ZYXBPVAFJLCYDR-QFIPXVFZSA-N 448.523 2.082 0 40 IEAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC1 22915871 LFSBAKJEWUQLLR-MAUKXSAKSA-N 438.956 2.185 0 40 IEAB CN(C)[C@H](CNC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1ccccc1Cl 29051677 RHECOGQZLLLIIC-RTBURBONSA-N 431.899 2.318 0 40 IEAB O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)N[C@H](CO)Cc1ccccc1 33542804 JWKCGQJOMVMODS-WSLMLHKMSA-N 440.477 2.171 0 40 IEAB O=S(=O)(NCCc1ccncc1)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 35311645 SPBGFPNPUSFUNW-UHFFFAOYSA-N 431.539 2.081 0 40 IEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1 36580075 PNXQQOMGZHGYDR-OAQYLSRUSA-N 434.496 2.420 0 40 IEAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(-c3nc(C4CC4)no3)c2)C[C@@H](C)O1 58195766 IQZRRQKBKBHJSC-ZIAGYGMSSA-N 449.533 2.175 0 40 IEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3coc(NC(=O)C4CC4)n3)cc2)n1 77099829 GCXFNFNRLWUDQW-UHFFFAOYSA-N 442.457 2.175 0 40 IEAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 84637096 ZEFTUIRMYKYBTQ-PBEJRMEISA-N 432.542 2.386 0 40 IEAB COC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 95404771 PCTOJWJAKKDHLZ-IBGZPJMESA-N 432.498 2.285 0 40 IEAB COc1ccc([C@H](CC(=O)O)NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1OC 95463844 HZMXAKWIMJYDJB-INIZCTEOSA-N 428.420 2.429 0 40 IEAB Cc1ccc(C)c(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224003894 JXWKMAXQZXAITN-UHFFFAOYSA-N 434.514 2.036 0 40 IEAB COc1ccccc1[C@H]1CN(CC(=O)Nc2ccc3c(c2)OCCO3)CCN1C(C)=O 257227111 FNSAFUBIOSRYDW-LJQANCHMSA-N 425.485 2.310 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)cc1 408664465 ZRVILTHZKZWSKU-KRWDZBQOSA-N 439.468 2.069 0 40 IEAB Cc1cc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)ccc1Br 409215407 YDGCGWRVQMIWHY-UHFFFAOYSA-N 440.367 2.449 0 40 IEAB O=C(OCC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1O 3421531 VWMNBHLEVXUNTP-MRXNPFEDSA-N 437.901 2.418 0 40 IEAB COc1ccc(CCNC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)cc1OC 3500184 PEYSPEDTNOBVIM-UHFFFAOYSA-N 427.530 2.436 0 40 IEAB CCc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3)CC2)C(C)C)cc1 4083368 JKPZSALKJXOEDC-SFTDATJTSA-N 428.577 2.319 0 40 IEAB biogenic O=C(NCc1ccccc1F)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 8601547 JQUVTOQDBOBOPA-LJQANCHMSA-N 430.457 2.366 0 40 IEAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1=O 8850120 ZLEKIEWXISQUTR-FQEVSTJZSA-N 442.838 2.466 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(-n2cnnn2)c1 8995349 GFKBGRYIRJXRIR-SFHVURJKSA-N 446.558 2.009 0 40 IEAB COC(=O)c1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9308560 KTERQALQFMRNAJ-UHFFFAOYSA-N 447.426 2.268 0 40 IEAB COc1cc2c(cc1OC)CN(CC(=O)Nc1c(C)n(C)n(-c3ccccc3)c1=O)CC2 9429890 REQMXPXMKANBKH-UHFFFAOYSA-N 436.512 2.498 0 40 IEAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)cc1 9465526 IDJIVXDKNUSZBB-UHFFFAOYSA-N 425.470 2.344 0 40 IEAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2ccccc2Cl)CC1 9570144 DPWXXCPXWBZFJB-UHFFFAOYSA-N 437.949 2.230 0 40 IEAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c21 12391800 ZUKCLNVGZDTJME-GFCCVEGCSA-N 431.880 2.487 0 40 IEAB O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCN(Cc2ccccc2)CC1 14141786 KHEIZXCEZZGDFU-OAQYLSRUSA-N 443.569 2.102 0 40 IEAB CCCCCc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)[nH]c1=O 15958246 ZCWPVYQMEIXSKN-LSDHHAIUSA-N 444.557 2.108 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2ccccc2c1O 18151643 XKENIPDJQVBJDK-UHFFFAOYSA-N 426.494 2.496 0 40 IEAB CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H](C)N2CCCC2=O)C1 19077530 UYJFDUHUEZQDDB-BVZFJXPGSA-N 434.540 2.267 0 40 IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2)c(C)c1 20022199 OORYHROVJPVVPA-UHFFFAOYSA-N 436.530 2.396 0 40 IEAB COc1ccc(NC(=O)C2=CC(c3ccccc3OC)=NS(=O)(=O)N2C)cc1OC 20220018 YZTFGZUUGODYGF-UHFFFAOYSA-N 431.470 2.214 0 40 IEAB Cn1c(-c2ccncc2)nn(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)c1=S 22309427 RCSZYBLVLXBPBO-UHFFFAOYSA-N 448.549 2.116 0 40 IEAB CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)s1 23141825 FJVPWCZKVFDQBJ-OAHLLOKOSA-N 449.602 2.271 0 40 IEAB O=C(Cc1coc(-c2ccccc2)n1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 32209376 OBZZANFOQLRERV-UHFFFAOYSA-N 441.509 2.221 0 40 IEAB COc1ccccc1CNC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2ccccc2CN1 35485170 UGFKKUYAHVXETN-PMACEKPBSA-N 427.570 2.264 0 40 IEAB biogenic CCOC(=O)CNC1(c2nnnn2-c2ccccc2C(=O)OC)C2CC3CC(C2)CC1C3 35606493 ZSBXPJJZVSXWSE-UHFFFAOYSA-N 439.516 2.253 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)c2nc(N3CCCC3)ncc2Cl)c1 40141891 SAAVGJGWOVCPQE-UHFFFAOYSA-N 437.953 2.055 0 40 IEAB CCOC(=O)c1ccn(-c2ccc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)n1 58017104 KSIQHKZFNNJJEF-UHFFFAOYSA-N 442.453 2.295 0 40 IEAB Cc1ccc(NC(=O)CN2CC[C@@H]2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 72311984 WWEKGNCNCJCKJB-OAQYLSRUSA-N 443.569 2.271 0 40 IEAB O=C(c1ccc(CN2CCCC2)o1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325701 ABADWEKKQXVWEG-UHFFFAOYSA-N 430.530 2.212 0 40 IEAB CCOC(=O)c1cnn(-c2ccc(NC(=O)NC(CC)(CO)CO)cc2)c1C(F)(F)F 95454918 CUAMGMRRYWGWEG-UHFFFAOYSA-N 444.410 2.323 0 40 IEAB CCn1c(=O)c(C(=O)CN[C@@H](C(C)(C)C)C(F)(F)F)c(N)n(Cc2ccccc2)c1=O 95962967 YRLHDTFUIYYBRB-SFHVURJKSA-N 440.466 2.410 0 40 IEAB Cc1noc(C)c1C(=O)N1Cc2ccccc2C2(CCN(S(=O)(=O)N(C)C)CC2)C1 96242513 FWQUTURVVIMMLN-UHFFFAOYSA-N 432.546 2.087 0 40 IEAB COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CC[C@H](Oc2cc(C)n(C)c(=O)c2)C1 238923478 UJPWPCFHSGCJKN-SFHVURJKSA-N 435.480 2.147 0 40 IEAB CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(C(=O)NC3CCCCC3)CCN21 253405652 SYGJWSQGXZJPSQ-IBGZPJMESA-N 434.606 2.498 0 40 IEAB biogenic,in-vitro Cn1c(=O)c2ccc([C@H]3CCN(C(=O)c4ccccn4)C3)nc2n(Cc2ccccc2)c1=O 257304339 SLDGSIAPRMJXLS-SFHVURJKSA-N 441.491 2.168 0 40 IEAB C[C@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)c1ccccc1 408655798 MFVFIRJASVMLDV-WMLDXEAASA-N 443.887 2.254 0 40 IEAB COCCn1cc(CC(=O)NCCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21 524729056 AWWIFUCFRMJVNN-CTNGQTDRSA-N 448.567 2.227 0 40 IEAB biogenic Cc1c(C)[n+]([O-])c([C@H](c2ccco2)C2C(=O)N(C)C(=O)N(C)C2=O)n1Cc1ccccc1 524735130 XSDSXBYTCWGADT-GOSISDBHSA-N 436.468 2.178 0 40 IEAB O=S1(=O)C[C@@H](O)[C@H](Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)C1 575421584 KCQRTBYVZLSHAR-WOJBJXKFSA-N 432.523 2.210 0 40 IEAB O=S(=O)(NCC1(N2CCSCC2)CCOCC1)c1ccccc1OC(F)(F)F 1888876445 PSVVNAHNTOGXMC-UHFFFAOYSA-N 440.509 2.462 0 40 IEAB Cc1cccc(NC(=O)CNC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1C 8624249 OYHKFPSEDSEXBN-XMMPIXPASA-N 434.496 2.142 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)NC1CC1 9056264 ZLRDLCAIZJGYPR-UHFFFAOYSA-N 433.505 2.237 0 40 IEAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)N[C@H]1CCCc2ccccc21 9209133 QAKIHRLEDBPQTP-NZQKXSOJSA-N 435.524 2.307 0 40 IEAB C[C@@H](NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc2c(c1)OCCO2 9871248 IHQOZMXPIUOIOQ-OAHLLOKOSA-N 431.452 2.231 0 40 IEAB Cn1c(=O)c2c(SCC(=O)N3CCC(Cc4ccccc4)CC3)ccnc2n(C)c1=O 10217013 RUHIYHUSJSBDPI-UHFFFAOYSA-N 438.553 2.206 0 40 IEAB Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(CCCn5ccnc5)c(C)cn34)n(C)c2=O)c1 10233358 ZOJIMGVYSVGTDZ-UHFFFAOYSA-N 445.527 2.410 0 40 IEAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)n1 12085506 VVWNOMRKOVXKJG-GYCJOSAFSA-N 437.544 2.469 0 40 IEAB Cc1ccc(N2C(=O)N[C@](NS(=O)(=O)c3ccc(N)cc3)(C(F)(F)F)C2=O)cc1C 12462216 OSRKDZUPSKNFSP-QGZVFWFLSA-N 442.419 2.179 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 12808665 IDWAHLJOJXEQBL-UHFFFAOYSA-N 444.513 2.143 0 40 IEAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 13062969 PDURWMFQAPEECV-CJNGLKHVSA-N 430.404 2.190 0 40 IEAB C[C@@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 14245636 OJCCWYQKZXRREN-DNVCBOLYSA-N 429.494 2.108 0 40 IEAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 14291880 HVGHGFQJHVDYRL-UHFFFAOYSA-N 448.497 2.145 0 40 IEAB O=C(CN1CCC(N2CCCC2)CC1)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 19292036 PLSXAHQGDNHQAR-UHFFFAOYSA-N 441.620 2.236 0 40 IEAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2nc[nH]n2)CCO1 19449732 UINUHMJYGLYWGE-XMMPIXPASA-N 433.512 2.450 0 40 IEAB O=C(NCCO)c1sc2ncccc2c1[C@@H]1CCN(C(=O)Cn2cnc3ccccc32)C1 19702218 TUUQXGAWJFELLZ-OAHLLOKOSA-N 449.536 2.384 0 40 IEAB CCn1ccc(C(=O)N2CCO[C@H](c3c(C(=O)NCCOC)sc4ncccc34)C2)n1 19703033 RAFKVHIXICWPMP-INIZCTEOSA-N 443.529 2.103 0 40 IEAB COC(=O)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20219673 KFCWIMDDEUWFMC-OAQYLSRUSA-N 448.475 2.457 0 40 IEAB Cc1ccc(OC[C@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22372727 AUFUBDRJXLGGRP-INIZCTEOSA-N 434.514 2.116 0 40 IEAB COc1ccc([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)N2CCN(C)CC2)cc1 22795299 UVIXCZVLCKSBQI-QFIPXVFZSA-N 428.577 2.107 0 40 IEAB COc1ccc(OC)c(CN2CCN([C@@H](C)C(=O)Nc3sccc3C(N)=O)CC2)c1 22932451 MEIIEJGUHYZAEO-AWEZNQCLSA-N 432.546 2.009 0 40 IEAB CC(C)n1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nc2ccccc2c1=O 23702752 MRHAVDGXKCZRRG-UHFFFAOYSA-N 443.529 2.355 0 40 IEAB CN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 24660969 ZGDKIADYCFTGDQ-HOTGVXAUSA-N 436.555 2.447 0 40 IEAB O=C(COc1cccc(NC(=O)c2ccco2)c1)NC[C@]1(N2CCOCC2)CCSC1 31935687 XUJITBSRWHIXPL-JOCHJYFZSA-N 445.541 2.235 0 40 IEAB CC(C)(C)OC(=O)NC1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 32937094 PZSPKJGZMDQJSM-JOCHJYFZSA-N 448.495 2.108 0 40 IEAB C[C@H](OC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1ccccc1 32946853 XHSVQEDHVHQWQS-MAUKXSAKSA-N 432.498 2.328 0 40 IEAB COc1ccc(CCNC(=O)Cn2c(O)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1OC 33037975 NETKCVXZNHLTFD-UHFFFAOYSA-N 448.479 2.473 0 40 IEAB CC[C@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 43730225 KLXSEWYZOJWNMM-DFHCSUQFSA-N 432.318 2.474 0 40 IEAB CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4C4CCN(C)CC4)n3)ccn2)CC1 49154979 GKNUTLPFYKBYEK-FQEVSTJZSA-N 439.564 2.031 0 40 IEAB biogenic,in-vitro COc1ccc(C2(CNC(=O)C[C@H]3NC(=O)c4ccccc4NC3=O)CCOCC2)cc1 62001533 ZIYDRGGKURJQHE-HXUWFJFHSA-N 437.496 2.000 0 40 IEAB biogenic CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc3c(c2)OCO3)C[C@]12Cc1ccccc1C(=O)N2 72334510 DULXDXIVVMHKML-UQBPGWFLSA-N 435.524 2.487 0 40 IEAB Cc1cc(C(=O)N2CCC(c3nc(N4CCCCC4)ncc3S(C)(=O)=O)CC2)on1 72335921 DUJMXERCXTVGBY-UHFFFAOYSA-N 433.534 2.187 0 40 IEAB CN1CCN(C(=O)CN2CCOCC2)[C@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 72351631 CJIYJUORAHQKAO-JOCHJYFZSA-N 425.504 2.037 0 40 IEAB COc1ccc2c(c1)OC1(CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC1)CNC2=O 72393326 SEZWEHGTNFIFQW-UHFFFAOYSA-N 440.496 2.439 0 40 IEAB O=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 77200742 WFWGIKOYQFTPMZ-HXUWFJFHSA-N 436.555 2.379 0 40 IEAB COc1ccc(C(=O)N2CCC3(CC2)O[C@H](C(=O)NCC(C)C)Cn2ccnc23)cc1 96144741 IMEDWDDDFVRFPV-IBGZPJMESA-N 426.517 2.194 0 40 IEAB CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCCN(C)CC1 97617208 IJGKRDMGYRHZRT-MRXNPFEDSA-N 428.396 2.465 0 40 IEAB CCOCCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21 100873657 VBQUCUWGNBIXJJ-XDOYNYLZSA-N 448.570 2.194 0 40 IEAB O=C(O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 101275319 LGEIMNNDBQRHJD-PBWVOLNLSA-N 439.855 2.130 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1F 220084181 AAGFPMVYQYEDKZ-UHFFFAOYSA-N 427.448 2.219 0 40 IEAB COCCNS(=O)(=O)Cc1cccc(NC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)c1 223239320 ADYAGIDIXQUJCE-OAQYLSRUSA-N 449.504 2.413 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1OC 223991333 JXAAEZDWPVCOBM-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB CC(C)CNC(=O)c1ccccc1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 224578341 POCGPUWVUYEXHD-UHFFFAOYSA-N 433.530 2.486 0 40 IEAB O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccccc1Br)c1ccccc1 238945475 WJWCJIJOYNHMKM-AWEZNQCLSA-N 439.287 2.448 0 40 IEAB C[C@@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)[C@@H]3[C@H]2C(=O)NC1CC1 245229555 ATOYAMUCSJBORR-GQDRMJRRSA-N 449.551 2.065 0 40 IEAB O=C(NCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1)c1ccco1 247447022 YTBGLJWCUWYCOV-OJJCSPDDSA-N 437.496 2.471 0 40 IEAB CN1C(=O)CO[C@@H](C(=O)N(CC(=O)O)Cc2ccc(F)c(Cl)c2)[C@H]1c1ccccc1 257201194 AGSMXOGNSQDUPD-WOJBJXKFSA-N 434.851 2.491 0 40 IEAB COc1cc2c(cc1CN1CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C1)OCCO2 257234546 GUBSVTATEFSDAV-JOCHJYFZSA-N 435.484 2.474 0 40 IEAB Cc1cc(C)n(CCOc2ccc(CNC[C@@]3(O)CCCN(c4ncccn4)C3)cc2)n1 257274108 NJPNKVHXEQJGDC-DEOSSOPVSA-N 436.560 2.490 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)C2)nc2c1CN(C)CC2 257281533 OPQUPJZWCKYUOT-IBGZPJMESA-N 448.571 2.258 0 40 IEAB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 408544259 UPFGBSJZBOTUMB-UHFFFAOYSA-N 431.440 2.277 0 40 IEAB O=C(N[C@H]1CCc2cc(Br)ccc2NC1=O)c1ccc2c(c1)C(=O)NC2=O 1559027972 VWYBLJQIOARQDD-HNNXBMFYSA-N 428.242 2.016 0 40 IEAB CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](O)c1ccccc1 6547806 GFXBVMOCCVTKRE-JKSUJKDBSA-N 428.304 2.393 0 40 IEAB CCc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)s1 9263952 ZZVINZAQYNXVSR-UHFFFAOYSA-N 431.547 2.198 0 40 IEAB O=C(NCCCN1CCCC1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9378640 DABRVNDGHOGKHK-UHFFFAOYSA-N 445.541 2.474 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 9594816 WKDALELNCCYSQM-RYQLBKOJSA-N 447.557 2.304 0 40 IEAB Cc1ccc(S(=O)(=O)N2c3ccc(S(=O)(=O)N4CCOCC4)cc3C[C@@H]2C)cc1 10119300 WPPLJXNJWDINHS-INIZCTEOSA-N 436.555 2.156 0 40 IEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 11615685 JZRVDWZSTDAPRC-UHFFFAOYSA-N 430.486 2.252 0 40 IEAB CCn1ccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 11695641 QSMLRDLLWBTHIW-UHFFFAOYSA-N 431.562 2.040 0 40 IEAB CN(CC(=O)N1CCC[C@H](c2nn(C(C)(C)C)c3ncccc23)C1)[C@@H]1CCS(=O)(=O)C1 12219968 WCIXNSRYIZXLSN-DLBZAZTESA-N 447.605 2.011 0 40 IEAB COc1ccc(C(=O)NCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1OC 12794800 UBTIFTVOJHXHBM-UHFFFAOYSA-N 441.532 2.004 0 40 IEAB Cc1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12799653 WDQKFVCNEXDUMP-UHFFFAOYSA-N 438.937 2.125 0 40 IEAB CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(N4CCOCC4)nc3)n2)CC1 19123985 OMIINXSDNFDOAT-UHFFFAOYSA-N 449.515 2.007 0 40 IEAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)Cn4cccn4)nc32)c1 19698620 YSYIPKMQOFEIOI-UHFFFAOYSA-N 434.500 2.128 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccccc4OC)CC3)CC2=O)cc1 20737765 DMTJCEXLIPWRII-QGZVFWFLSA-N 437.496 2.041 0 40 IEAB CSCC[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)N=c1[nH]c2ccccc2[nH]1 20744504 UREICCCUUVWLGW-MAUKXSAKSA-N 426.498 2.001 0 40 IEAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)/C=C/c2ccco2)c1 21595777 ZYMDGJNQJVJIAX-SOFGYWHQSA-N 428.514 2.344 0 40 IEAB CC(=O)c1ccc(N2CCN(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)CC2)c(F)c1 23844897 PTAWDWDOZXBWKR-UHFFFAOYSA-N 444.488 2.160 0 40 IEAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24097172 ZOZBNEDWHUNQOB-UHFFFAOYSA-N 444.495 2.075 0 40 IEAB Cc1c(C(=O)NCCNC(=O)c2cccn2C)cnn1-c1ccc(Br)cc1 24835472 HCAPAJZBKSGSIQ-UHFFFAOYSA-N 430.306 2.442 0 40 IEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccnc(N2CCOCC2)c1 25290180 CACYVFPTRWUMIN-FQEVSTJZSA-N 432.471 2.267 0 40 IEAB CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccccc2OC)cc1 67896974 RQTAQVYRKYRBBY-DENIHFKCSA-N 428.485 2.245 0 40 IEAB biogenic,in-vitro CCc1nc(CN2CCN(C(=O)Nc3cccc(Cl)c3N3CCOCC3)CC2)no1 72305814 GTYMZUOMWUIYAT-UHFFFAOYSA-N 434.928 2.472 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@](C)(O)C1)n2CC 72312619 ZQMAFNMRPGHXTH-NRFANRHFSA-N 436.578 2.003 0 40 IEAB CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc2)cc1 95959455 IMXUNBCCHWTCKC-SFHVURJKSA-N 438.527 2.245 0 40 IEAB O=C(CN1CSCC1=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 96585752 NNXSFZIPTWFBGC-NTUHNPAUSA-N 425.919 2.025 0 40 IEAB NC12C3(Cl)[C@]4(Cl)C5(Cl)C6(OCCO6)C(Cl)([C@@]14Cl)[C@@]2(Cl)[C@@]53Cl 104026262 SCZXBBBDPYAIBO-KACBWGDXSA-N 432.345 2.338 0 40 IEAB CCOC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 219989996 JUMYZWBZIJIRMB-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 222936022 BNVYWIXAWMDVJJ-FQEVSTJZSA-N 447.557 2.015 0 40 IEAB Cc1nc(NS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)sc1C(=O)N(C)C 223350298 IJLBCAGPIBKTGW-UHFFFAOYSA-N 430.895 2.052 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(C(=O)N(C)C)cc1 223584628 FDZOPYNBEOEOLQ-UHFFFAOYSA-N 433.530 2.219 0 40 IEAB CCc1ccc(OCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 224113976 NBNUZOUTCKLVCC-INIZCTEOSA-N 448.541 2.370 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408977875 YRHQIQSMLVRRQG-UHFFFAOYSA-N 429.436 2.366 0 40 IEAB CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 673873360 NQSJURZWKWYQKE-SIKLNZKXSA-N 441.532 2.374 0 40 IEAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(Cl)cc4)C[C@H]23)n1 1549163104 YYRDWMJKDCRCJX-INIZCTEOSA-N 428.880 2.366 0 40 IEAB Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)cc1 2056225814 CHXNRFRQGLWDKN-JXFKEZNVSA-N 436.434 2.485 0 40 IEAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)COc3ccc(F)cc3)c2n1 8946760 VYIOAGIIHXJBRX-UHFFFAOYSA-N 430.509 2.483 0 40 IEAB CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nnc2ccccn12 9042924 OJZQMVXMYQJANI-INIZCTEOSA-N 433.559 2.204 0 40 IEAB CCOc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCOC)cc1Cl 9126724 JYLHHDCWKQTNNT-UHFFFAOYSA-N 431.880 2.052 0 40 IEAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@@H](C)c1ccccc1 9187240 BLWGJMPZMNJJEZ-BQFCYCMXSA-N 437.496 2.193 0 40 IEAB C[C@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9316583 YSVFEQNQUGFUJT-LBPRGKRZSA-N 438.531 2.087 0 40 IEAB O=C(COC(=O)c1sccc1S(=O)(=O)NC1CC1)NCCSc1ccccc1 10566864 QKZZCGGSFCNJAJ-UHFFFAOYSA-N 440.568 2.254 0 40 IEAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nc(C)cs3)[nH]c2=O)cc1 11025551 DDKUFSBPAQGWGI-UHFFFAOYSA-N 446.514 2.109 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)c1 12807269 JUHZEGHVPTTXNH-FQEVSTJZSA-N 428.510 2.211 0 40 IEAB COCCn1nnnc1[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1 13504301 FDMCJMFRMSJOGC-GOSISDBHSA-N 430.896 2.113 0 40 IEAB C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1)C(=O)O 13579142 PJWWVSWRHWXSHO-ZRDIBKRKSA-N 449.510 2.034 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 14232599 GTALBBUOSBSENZ-NWDGAFQWSA-N 425.457 2.467 0 40 IEAB O=S(=O)(NC[C@H](NNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 16758537 CXTCFFRFQHJCLC-FQEVSTJZSA-N 431.539 2.189 0 40 IEAB O=C(NC[C@@H]1CCCO1)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19372426 NLNYHLDRXSFZPZ-FQEVSTJZSA-N 432.524 2.364 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CCN(C)Cc3ccccn3)C2)nc2c1CCC(=O)N2C 19741576 ATPMJBGNHDLXJF-SFHVURJKSA-N 436.560 2.317 0 40 IEAB CNc1nc([C@@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)nc2c1CN(C(C)=O)CC2 19753515 YJMYDPKNTFBTHC-GOSISDBHSA-N 437.544 2.380 0 40 IEAB Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccccc3)c(C)n2)n1 19755452 GPIVYGXDUZNRIO-LJQANCHMSA-N 432.484 2.266 0 40 IEAB CN1C(=O)COc2ccc(-c3csc(NC(=O)CN4C(=O)c5ccccc5C4=O)n3)cc21 19796428 BEMCFQORXORREB-UHFFFAOYSA-N 448.460 2.400 0 40 IEAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1 20727294 MXPYVVDIMKPZNT-HXUWFJFHSA-N 429.498 2.309 0 40 IEAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 21375939 YDHLTGYFONHWOC-VWLOTQADSA-N 448.523 2.348 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c1 22740442 UVPSLKFXZWALLN-GJZGRUSLSA-N 437.484 2.116 0 40 IEAB CCn1c(CN2CCCC[C@@H]2C(N)=O)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 32664815 ICCZZDCYUMUWIN-LJQANCHMSA-N 433.578 2.071 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3cnn(C(F)F)c3C)CC2)c(OC)c1 36614710 KBIGZQIRWZGHHF-UHFFFAOYSA-N 430.477 2.110 0 40 IEAB CCOC(=O)C1CCN(C(=O)COC(=O)/C=C/c2c(Cl)nc3sccn23)CC1 39608416 DUXZMUVWSLHZBR-ONEGZZNKSA-N 425.894 2.407 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2nc(Cc3ccccc3)no2)CC1 40118770 ZCGXJRDWORZEJV-UHFFFAOYSA-N 431.518 2.162 0 40 IEAB COc1ccc(C(NC(=O)CN2CCC[C@H]2C(=O)N(C)C)c2ccc(OC)cc2)cc1 48340319 UREMQPRZRULTDS-NRFANRHFSA-N 425.529 2.462 0 40 IEAB Cc1ccccc1N1CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 57270689 SCMKFQZNZFRNEE-LJQANCHMSA-N 447.626 2.394 0 40 IEAB CCCN(C)C(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 67337765 DQZPNYCRAHSEKG-UHFFFAOYSA-N 439.969 2.066 0 40 IEAB CCCCCc1c(O)nc(SCC(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)[nH]c1=O 100764043 ZCWPVYQMEIXSKN-GJZGRUSLSA-N 444.557 2.108 0 40 IEAB biogenic O=C(NCC1CCN(C2CCOCC2)CC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 225565866 HDINSKVSXUTLFN-UHFFFAOYSA-N 442.560 2.149 0 40 IEAB Cn1ccc2cc([C@@H](O)CNC(=O)C(=O)Nc3cccc(N4CCCCC4=O)c3)ccc21 239593169 DSAMDXDHSRDSNE-NRFANRHFSA-N 434.496 2.484 0 40 IEAB COCCOc1cc(CN2C[C@@H](O)[C@H](N(C)Cc3ccc(OC)cc3)C2)ccc1OC 257213474 CHSMXPKHMBZUJB-FGZHOGPDSA-N 430.545 2.406 0 40 IEAB O=C1CCCN1CCOc1ccc(C(=O)N2C[C@H](O)[C@H](Cc3ccc4nccn4c3)C2)cc1 257286639 PMILQYLLUGCAKK-IRLDBZIGSA-N 448.523 2.011 0 40 IEAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)CN1C(=O)NC(C)(C)C1=O)C3 257291368 QGQIWUAVYIWRRQ-QFBILLFUSA-N 441.528 2.403 0 40 IEAB CC(C)N1CC2(CCN(C(=O)c3cnccn3)CC2)COc2ccccc2S1(=O)=O 306127826 GIOOULHYLZRWGP-UHFFFAOYSA-N 430.530 2.191 0 40 IEAB CCOCCCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccc(OC)cc1 409125408 FHBDEKYXNVBLMD-UHFFFAOYSA-N 436.530 2.442 0 40 IEAB Cc1cnc(CNC(=O)[C@@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC23CCOCC3)nc1 585101827 DNDWZSIYMGWUKY-AWEZNQCLSA-N 438.454 2.072 0 40 IEAB CC(C)C[C@@H](N)COc1cc(Cl)ccc1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C 2037879869 VAGBMMNLQYTYKI-JOQOYGCGSA-N 441.956 2.436 0 40 IEAB Cc1cc(N2CCC[C@@](O)(CNC(=O)Cn3c(CC(C)C)nc4ccccc43)C2)ncn1 2037880043 QCBBZIIUPNCEJF-XMMPIXPASA-N 436.560 2.481 0 40 IEAB CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 879251 NESMCMPEYJSATJ-UHFFFAOYSA-N 449.602 2.464 0 40 IEAB CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3cccc(F)c3)c2n1 8793888 IQRBADGVVGVGLV-UHFFFAOYSA-N 430.509 2.344 0 40 IEAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NC(=O)NCc1ccco1 9508222 OCQQNWAMZHNKEO-UHFFFAOYSA-N 432.436 2.101 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 9613467 MUEXDMPFQDZJHB-UHFFFAOYSA-N 426.516 2.223 0 40 IEAB COc1cc(C(=O)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc(OC)c1OC 9933524 BEPQIBUKVJEYBY-UHFFFAOYSA-N 444.484 2.328 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1C 10036131 JHCHLDAHOXYRQT-UHFFFAOYSA-N 447.582 2.376 0 40 IEAB O=C(C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 10384178 IQHIXBNXQIDVLA-OAHLLOKOSA-N 430.848 2.430 0 40 IEAB C[C@H](NC(=O)[C@H](C)n1cnc2ccccc2c1=O)C(=O)NCCc1c[nH]c2ccccc12 12296466 WKBONKNLKZTFQC-HOTGVXAUSA-N 431.496 2.302 0 40 IEAB biogenic CCOC(=O)c1cnc(S[C@@H](C)C(=O)N2c3ccccc3NC(=O)C2(C)C)nc1N 12553370 XVZNCSNMPJQINC-NSHDSACASA-N 429.502 2.480 0 40 IEAB CC(C)CN(C(=O)COC(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 12642430 DHSGNOKTSUFJHH-HNNXBMFYSA-N 432.336 2.278 0 40 IEAB COC(=O)C1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)c(Cl)c3)C2=O)CC1 13001680 OXYAZIOHIXZMNK-LJQANCHMSA-N 442.299 2.172 0 40 IEAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC1=C(C(=O)OCC)[C@H](C)NC(=O)N1 13037722 OMJZIRBRONRCHJ-NSHDSACASA-N 442.438 2.273 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 14128693 JRTVMTSDOTYAKN-QGZVFWFLSA-N 445.541 2.447 0 40 IEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(C(=O)c2ccccc2Cl)CC1 14181157 FFUADGAPPVWDHU-UHFFFAOYSA-N 446.935 2.269 0 40 IEAB C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)c1ccc(F)cc1 15648785 WPASGJCJSQTVOR-HNNXBMFYSA-N 435.521 2.404 0 40 IEAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21)Nc1ccc2c(c1)OCCO2 19374509 FBQZHCOBNOUYIG-UHFFFAOYSA-N 444.451 2.284 0 40 IEAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3n[nH]c4c3CCCC4)[nH]c2=O)C1 19499118 AAHLYSUTUSHXAY-GOSISDBHSA-N 438.532 2.034 0 40 IEAB COc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1OC 20015920 WCQKZPNIYDSFAG-CYBMUJFWSA-N 440.493 2.349 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCN(CCN2CCCC2)CC1)c1ccccc1 23257355 XFSNWJGRVIUSSF-XMMPIXPASA-N 434.584 2.268 0 40 IEAB Cn1c(=O)c2c(ncn2CCOC(=O)c2ccc(-c3ccccc3Cl)o2)n(C)c1=O 24222418 IPULPKSFKPPMMS-UHFFFAOYSA-N 428.832 2.204 0 40 IEAB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n1C 25041221 KSACUCNNUDJMQZ-UHFFFAOYSA-N 432.365 2.304 0 40 IEAB Cc1ccc(Cn2nnc3c(=O)[nH]c(Cn4nnc(-c5ccc(Cl)cc5)n4)nc32)cc1 35311674 NLDIQIDMVBAHBU-UHFFFAOYSA-N 433.863 2.227 0 40 IEAB O=C(CCc1nc(Cc2ccccc2)no1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 40129730 DMYQEFHXUCPMIQ-QGZVFWFLSA-N 429.498 2.402 0 40 IEAB CC1CCC(N2CCc3nc(C4CCN(C(=O)c5cnn(C)c5)CC4)[nH]c(=O)c3C2)CC1 72398867 LQPJLIDRNNKCSH-UHFFFAOYSA-N 438.576 2.460 0 40 IEAB O=S(=O)(Cc1ccccc1)N1CC[C@@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 96263668 ALNFNUOASUAXHT-NHCUHLMSSA-N 434.583 2.443 0 40 IEAB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1O[C@H](C)C(=O)N(C)C 96403055 LBXYSGMJWQKYDN-BTAWCLGRSA-N 438.527 2.227 0 40 IEAB Cc1nc(O)c2c(n1)C[C@@H]1CC[C@@H](C2)N1C(=O)c1cccc(N2CCCCS2(=O)=O)c1 100219925 UXQBGQOXMAUQJB-ROUUACIJSA-N 442.541 2.193 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccccc1Cl 224099905 VHZFLLXTDKDBAI-UHFFFAOYSA-N 438.933 2.478 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1OC 225853333 UIFCNIVLUIZMCV-UHFFFAOYSA-N 447.513 2.090 0 40 IEAB Cc1cnc(CN2CCC[C@@]3(C/C=C/COc4ccccc4C(=O)NCCNC3=O)C2)cn1 257311239 UIQBNZNIXBZDAD-MGPWBUOISA-N 449.555 2.252 0 40 IEAB CCOC(=O)N1CCN(C(=O)/C=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)CC1 409192099 UUPHFOVVCYQUBX-ZHACJKMWSA-N 447.513 2.072 0 40 IEAB COc1ccc(CCNC[C@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@H]2O)cc1OC 585283682 BOHCNCUDKKWCBC-GGAORHGYSA-N 448.947 2.127 0 40 IEAB O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)[C@@H]1CCCN1Cc1ccccn1 673653412 BQIKGVCZUBZMKP-NRFANRHFSA-N 434.544 2.138 0 40 IEAB COc1ccc(N2Cc3nn(CC(=O)NCc4ccc(F)cc4Cl)c(=O)n3C2=O)cc1 1547201242 RUBADRDLNBERRU-UHFFFAOYSA-N 445.838 2.151 0 40 IEAB O=S(=O)(c1ccccc1F)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1775972823 XKXNGLLAZVYYJQ-UHFFFAOYSA-N 444.414 2.183 0 40 IEAB CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCC(C(=O)OCC)CC1)OCO3 2254199 NHZFQQPWBHDJET-UHFFFAOYSA-N 445.472 2.287 0 40 IEAB O=C(CCNS(=O)(=O)c1ccccc1F)N1CCN(c2ccccc2Cl)CC1 3308429 BVUWZNXIOIITFB-UHFFFAOYSA-N 425.913 2.496 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccccc1N1CCOCC1 3352421 ZMTOYLFVLYREQL-NRFANRHFSA-N 429.542 2.238 0 40 IEAB CC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 6631768 LMVMBEBNNSGULU-AWEZNQCLSA-N 433.509 2.448 0 40 IEAB Cc1cc(C)n2nc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C34CCCC4)nc2n1 8753826 DMXDOYZLPPXYBR-UHFFFAOYSA-N 434.456 2.196 0 40 IEAB O=C(COC(=O)C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(Br)cc1 9129175 AMZUEMLWPJANOU-ZDUSSCGKSA-N 440.319 2.415 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3cccs3)C2)cc1 9134566 NNFZKAVTEOVBOQ-INIZCTEOSA-N 435.571 2.466 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C(=O)N(C4CCCC4)C[C@]34C=C[C@H]2O4)cc1OC 9184110 NBQLYEOLRJHBAE-UMCMBGNQSA-N 426.513 2.087 0 40 IEAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2CC(=O)NC[C@@H]2CCCO2)cc1 9609013 SWALXNZSLAQBHE-GHTZIAJQSA-N 436.512 2.446 0 40 IEAB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 9715528 VZYYARMITQBARN-UHFFFAOYSA-N 449.554 2.164 0 40 IEAB COc1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)cc1OC 9792693 UFRAHRGQOYINQF-OAQYLSRUSA-N 429.498 2.165 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[nH]3)CCC4)CC2=O)cc1 9822608 TUVYOICDKRSTND-OAHLLOKOSA-N 432.484 2.053 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)NCc1ccccc1Cl 10035964 DWHUMLFGPYNKGQ-UHFFFAOYSA-N 429.951 2.422 0 40 IEAB CCc1cc(O)n2nc([C@H]3CCCCN3C(=O)C3CCN(S(=O)(=O)CC)CC3)cc2n1 12161403 PXULUKRTDJPWCP-GOSISDBHSA-N 449.577 2.113 0 40 IEAB O=C([C@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)c2ccccc2O1)N1CCOCC1 12568573 NJGGIPGPNFYKAD-JOCHJYFZSA-N 449.507 2.470 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)cc2)C[C@@H](C)O1 12789101 WBSIILCOPKVMBO-SXGZJXTBSA-N 444.509 2.205 0 40 IEAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)CC1=O 12811166 XSMUIGUQAKVJGK-XGUBFFRZSA-N 438.908 2.269 0 40 IEAB COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 12876210 URNPXUAYJMSLHZ-NRFANRHFSA-N 431.558 2.178 0 40 IEAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 14113347 JIZFEYJYUDYCMM-UHFFFAOYSA-N 426.498 2.205 0 40 IEAB Cn1c(=O)c2[nH]c(Sc3nc(-c4cc5ccccc5oc4=O)cs3)nc2n(C)c1=O 16363724 RAULPFMUZZEOQP-UHFFFAOYSA-N 439.478 2.341 0 40 IEAB COc1ccc(CC(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1OC 16581761 MXTNNKNZEHYLQS-UHFFFAOYSA-N 441.484 2.166 0 40 IEAB O=C(CCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)N[C@H]1CCS(=O)(=O)C1 40094492 FTEDMJORNTVIRZ-AWEZNQCLSA-N 426.947 2.492 0 40 IEAB Cc1ccc2c(c1)N(C(=O)Cn1cc(S(=O)(=O)N3CCCCCC3)ccc1=O)CCO2 49410518 ZSJCHPTWNBUWRJ-UHFFFAOYSA-N 445.541 2.147 0 40 IEAB Cc1ccc(-n2nc(C)c(CC(=O)NCCCN(C)S(C)(=O)=O)c2C)cc1Cl 58018660 NICITAATEMIRRP-UHFFFAOYSA-N 426.970 2.391 0 40 IEAB C[C@H](C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 69978732 PPRAATHFJFDYBK-GFCCVEGCSA-N 433.910 2.231 0 40 IEAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc1 72346229 MUZSBYVINQCYAM-OAHLLOKOSA-N 428.518 2.036 0 40 IEAB COc1ccc(CC(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)cc1 72394907 JQLGKLMGSFEZSU-YLJYHZDGSA-N 425.529 2.094 0 40 IEAB Cn1cc(I)c(=O)n(CC(=O)Nc2ccc(C(C)(C)C)cc2)c1=O 95444404 FYLGYHVWHSIZNQ-UHFFFAOYSA-N 441.269 2.088 0 40 IEAB CC(C)C(=O)N1CC[C@H](NC(=O)CCc2ncc(-c3ccc(S(C)(=O)=O)cc3)o2)C1 95966162 HKIFHHRFZAFKMF-INIZCTEOSA-N 433.530 2.051 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccccc3OC)S(C)(=O)=O)ccc21 225087672 FKVCRHXQMHGMEZ-UHFFFAOYSA-N 435.527 2.496 0 40 IEAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225402877 OWZJGVJAERAWJS-JCGIZDLHSA-N 431.920 2.144 0 40 IEAB COc1ccc(Br)cc1CCC(=O)N1CCC(N2C(=O)COC2=O)CC1 244933225 CIBYFIPSVNRQTC-UHFFFAOYSA-N 425.279 2.360 0 40 IEAB Cc1ccc(CS(=O)(=O)N2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)cc1 257275801 NQYHNBHAGOTVFA-GOSISDBHSA-N 426.502 2.222 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)nc2c1CCN(C(C)=O)C2 257281705 OQOVXEHGDSZSNC-MRXNPFEDSA-N 441.507 2.347 0 40 IEAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306129360 IBHADMZXZRCPNH-YADARESESA-N 447.543 2.251 0 40 IEAB Cc1ccc(CN2CC[C@@]3(Cc4nn(Cc5csc(C)n5)c(=O)c(=O)n4C3)C2)s1 306143229 XWSZNWAGTNAJGK-HXUWFJFHSA-N 429.571 2.037 0 40 IEAB CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@@H]1CCCN(c2cccnn2)C1 542951473 DXHMZMKMPVGCBJ-GFCCVEGCSA-N 446.305 2.311 0 40 IEAB COc1ccc(CN(C)C[C@]2(O)CCN(Cc3ccc(OCCO)c(OC)c3)C2)cc1 585269632 DPGDEQJMBMSFFG-XMMPIXPASA-N 430.545 2.144 0 40 IEAB CS(=O)(=O)N1CCC[C@H](c2nnc3sc(-c4ccc(Br)o4)nn23)C1 1501040351 KDMMGHLGSCSDOE-QMMMGPOBSA-N 432.325 2.347 0 40 IEAB Cc1ncnc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NC5CCCC5)n4CC3)C2)c1C 2055793259 HNMYHKOOCURPEP-QHCPKHFHSA-N 437.548 2.226 0 40 IEAB CCOC(=O)c1sc2nc(CSc3nnc(-c4cccnc4)n3N)[nH]c(=O)c2c1C 3272012 NRFQCJCIPMTADE-UHFFFAOYSA-N 443.514 2.129 0 40 IEAB COc1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1OC 8719641 AFIYVHCFTRUAMM-XMMPIXPASA-N 437.496 2.494 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccc4c(c3)OCO4)c(=O)c2[C@@H]1c1cccnc1 8789361 AAAKNWZKGIPFED-IBGZPJMESA-N 447.447 2.196 0 40 IEAB biogenic CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 9495211 BTXWQSAPLVOQIK-SFHVURJKSA-N 449.916 2.497 0 40 IEAB COc1ccc(NC(=O)COCC(=O)N2CCN(c3ccccc3OC)CC2)c(OC)c1 9721107 GEMRZGRFXAJTDK-UHFFFAOYSA-N 443.500 2.016 0 40 IEAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccccc4C(=O)OC)ncn3n2)cc1 11666431 BJJHWWAFECMJAU-UHFFFAOYSA-N 447.451 2.382 0 40 IEAB COc1ccc(C(=O)NCC(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)N1CCCC1 12754206 DDZFXDLYCFPBOS-UHFFFAOYSA-N 445.541 2.465 0 40 IEAB CCCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)[C@H]1CCS(=O)(=O)C1 12784702 ONHUIAUPLKCZMG-HNNXBMFYSA-N 430.482 2.115 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nnc(C2CC2)o1 12983382 PUOTUHRASLFQPK-UHFFFAOYSA-N 438.531 2.007 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)c(C)c1 13038692 QFQXBXLOTBJZGA-UHFFFAOYSA-N 446.598 2.496 0 40 IEAB CCN(C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 14023053 ABUFSMNWRNOODT-QGZVFWFLSA-N 434.587 2.332 0 40 IEAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2cc(Br)ccc2F)CC1 19352262 LBXNKZGWIXEVBP-UHFFFAOYSA-N 431.258 2.482 0 40 IEAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)CCn4ccccc4=O)C3)c2N)cc1 19558645 WJZLRZJHXFVQBF-KRWDZBQOSA-N 449.511 2.136 0 40 IEAB Cc1cc(C(=O)N2CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)nc(N(C)C)n1 19693546 UQFSYKSRTSTLCF-OAQYLSRUSA-N 446.511 2.226 0 40 IEAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2S(=O)(=O)c2cnn(C)c2C)n1 19766672 SHSOHAJWEKXVMW-GOSISDBHSA-N 446.577 2.415 0 40 IEAB NC(=O)c1cc(N2CCCCC2)ccc1NCC(=O)NC(=O)NCCc1cccs1 22357996 VUIXDQQCJZBIKY-UHFFFAOYSA-N 429.546 2.318 0 40 IEAB Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)c1 24925244 MDATUANDGGQHBH-UHFFFAOYSA-N 439.541 2.489 0 40 IEAB Cc1ccccc1-n1ncc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1C1CC1 29186897 MVEUAMUGPSBEGR-IAGOWNOFSA-N 446.573 2.227 0 40 IEAB CS(=O)(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 32097046 MOYTUWNJMLZOOD-NRFANRHFSA-N 443.525 2.450 0 40 IEAB O=C(CN1C(=O)COc2cc(Br)ccc21)N1CCN(c2ccccc2O)CC1 32488105 GFDJKEFWPOXWRR-UHFFFAOYSA-N 446.301 2.229 0 40 IEAB CCN1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)CC1 33681115 RULJAJMYNBNKTE-UHFFFAOYSA-N 445.585 2.359 0 40 IEAB COc1ccc2[nH]cc(CCNC(=O)c3nc(CC(=O)NCc4ccccc4)no3)c2c1 36370065 BGHHQHVMMXNTAV-UHFFFAOYSA-N 433.468 2.391 0 40 IEAB biogenic Cn1cc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4)cnc32)c2ccccc21 36653121 RUIFPFWKQHMJSC-UHFFFAOYSA-N 440.507 2.492 0 40 IEAB COC(=O)N1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)CC1 49523021 JVZQUOFETCMNCP-UHFFFAOYSA-N 444.532 2.155 0 40 IEAB COCCOC(=O)c1c(NC(=O)CNCc2cccc(Cl)c2)sc(C(N)=O)c1C 58164897 PYXHINQWAJFNDL-UHFFFAOYSA-N 439.921 2.340 0 40 IEAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 95938975 WAMMGZAGNOFIGQ-ZDUSSCGKSA-N 425.507 2.038 0 40 IEAB COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OC)cn1CC(=O)N1CCCC1)CC2 96114974 QOZMCKJSGJNTOL-UHFFFAOYSA-N 441.528 2.055 0 40 IEAB biogenic COc1cccc(CC(=O)N2CCC3(CC2)CC[C@@]2(C(=O)N(C)C)CN(C(C)=O)C[C@@H]32)c1 96143794 JDSFOPLTTDMSAR-SQJMNOBHSA-N 441.572 2.193 0 40 IEAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccc(F)cc4)[C@@H]3C2=O)cc1Cl 101083722 DJMSDSKRHVVLAP-ROUUACIJSA-N 429.839 2.397 0 40 IEAB CCOC(=O)C1=C(O)C[C@]2(O)[C@@H](C1)C[C@@]1(OC)OCC[C@@H]3C(C)=CC[C@@H]2[C@]31C(=O)OC 103883885 LAOGNELAYWGEFM-XHGQACCQSA-N 436.501 2.411 0 40 IEAB COc1cccc(N2C(=O)[C@@H]3[C@@H]4C(=C(N)S[C@H]3C2=O)C(=O)Oc2c(OC)cccc24)c1 107170414 UNZYQERRJYJOOV-IIDMSEBBSA-N 438.461 2.182 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223616695 KBCNVZTVOLHTCX-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB Cc1cc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1F 224350408 ACINVLVZHSINIA-UHFFFAOYSA-N 442.534 2.276 0 40 IEAB O=C(CCn1cnc2ccccc2c1=O)NC1CCN(c2cc3c(nn2)CCCC3)CC1 238920836 TVNOMHFRFMHFHO-UHFFFAOYSA-N 432.528 2.241 0 40 IEAB CC(C)N1CCN(CC(=O)N2[C@H]3CCCC(=O)N[C@@]3(C)C[C@H]2Cc2ccccc2)CC1 257239783 HQTMSTBVYHVEEL-SLSDLSHTSA-N 426.605 2.283 0 40 IEAB CCc1ccccc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC)S(C)(=O)=O 260855891 FSXBWVBCPYEKCA-MRXNPFEDSA-N 449.548 2.317 0 40 IEAB O=S(=O)(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccc(-n2cccn2)cc1 575414510 IZURLPOUPQBQRL-GFCCVEGCSA-N 426.424 2.067 0 40 IEAB O=C(c1ccncn1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575224 LNTQEROXCFBRDL-UHFFFAOYSA-N 438.528 2.396 0 40 IEAB COc1cc(S(=O)(=O)N(Cc2cccnc2)Cc2ccco2)ccc1-n1cnnn1 934265 VUDWAEULSHJKSL-UHFFFAOYSA-N 426.458 2.050 0 40 IEAB CN(CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 8880832 GIHMAPHERUYSEZ-INIZCTEOSA-N 436.555 2.171 0 40 IEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)c1ccc3c(c1)CCCN3S(C)(=O)=O)C2=O 9218591 JKDPGWRGRCUQDS-QKKBWIMNSA-N 433.530 2.082 0 40 IEAB O=C(Cc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569915 FKLSUKXZNBXPRI-UHFFFAOYSA-N 439.940 2.290 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 9640138 RCQPLZQESWOESH-HXUWFJFHSA-N 445.541 2.233 0 40 IEAB COC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4C)c(-c4ccccc4)cn23)n(C)c1=O 9713213 ORBWSCNHXZBGIK-UHFFFAOYSA-N 443.463 2.287 0 40 IEAB CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 10448893 ZSKJENYWWWYWCG-UHFFFAOYSA-N 434.514 2.045 0 40 IEAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1ccc(C)c(C)c1)CC2 10705367 LPARCELKQVLJQY-UHFFFAOYSA-N 432.542 2.439 0 40 IEAB CCCN1C(=O)N[C@@H](CC(=O)N2Cc3cc(Cl)ccc3OC3(CCOCC3)C2)C1=O 12122074 YRCDKCNPWOQBDM-INIZCTEOSA-N 435.908 2.331 0 40 IEAB COc1cc2c(c3oc(=O)c(CC(=O)N(C[C@H](C)O)C[C@@H](C)O)c(C)c13)CCC(C)(C)O2 12902214 NKUWWUHVBUDHQL-OKILXGFUSA-N 447.528 2.346 0 40 IEAB biogenic Cc1cc(Br)ccc1NC(=O)CNC(=O)CNC(=O)NCc1ccccc1 12986378 KVQNBBPOVBYTSL-UHFFFAOYSA-N 433.306 2.312 0 40 IEAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 13165228 NJZYXUCCQQLUSD-NYYWCZLTSA-N 429.498 2.318 0 40 IEAB CCn1nnc2c(N3CCN(C(=O)C(C)(C)Oc4ccc(Cl)cc4)CC3)ncnc21 13533285 ULUBVHHJUFRWKU-UHFFFAOYSA-N 429.912 2.401 0 40 IEAB NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 19331647 WBHDEHFXXAGHDV-VGOFRKELSA-N 446.594 2.486 0 40 IEAB COc1cccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCOCC2)c1 23107156 HJMPPZLTADINJL-HXUWFJFHSA-N 431.920 2.155 0 40 IEAB Cc1sc2nc(CN3CCN(C(=O)c4ccc(-n5cncn5)cc4)CC3)[nH]c(=O)c2c1C 23909199 YQOKJTHEGLQQBN-UHFFFAOYSA-N 449.540 2.140 0 40 IEAB NC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)C1 24147024 YTSQDAGASPWJDC-CQSZACIVSA-N 448.980 2.337 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc1 25463670 XILPKXKYJPWLPW-UHFFFAOYSA-N 432.502 2.094 0 40 IEAB Cc1nn(C)c2c(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)nc(C(C)C)nc12 28557751 SNFUSWVMTDLNIP-UHFFFAOYSA-N 428.562 2.447 0 40 IEAB CCOC(=O)[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1 33413386 KYGJHHXTKQWEGM-MFVBVHDHSA-N 442.424 2.490 0 40 IEAB COc1ccc(OC[C@@H](O)Cn2c(C[C@@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 40050655 LJUFBHDVDXKGQB-IRXDYDNUSA-N 430.526 2.462 0 40 IEAB COc1cccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)nc23)c1 49008407 AAWVCOSYFQWCOZ-UHFFFAOYSA-N 435.396 2.059 0 40 IEAB O=C(Nc1ccc(OCC(F)(F)F)cc1)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 95971978 QDAJQFRMHKQMRA-OAHLLOKOSA-N 435.468 2.401 0 40 IEAB O=C(Cc1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224457501 ZINDLWNKOVRWMR-UHFFFAOYSA-N 438.933 2.099 0 40 IEAB CN1CCN(Cc2nc(C3(O)CCN(C(=O)NCc4ccccc4)CC3)cs2)CC1 225472317 JNPFVCXKRFQLJM-UHFFFAOYSA-N 429.590 2.084 0 40 IEAB biogenic,in-vitro Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1 257341876 ZMHDCBNMLQIPRS-IBGZPJMESA-N 432.550 2.254 0 40 IEAB Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 408614608 FFBPHVZGIGKQIE-MSOLQXFVSA-N 439.512 2.171 0 40 IEAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C2)OCC[C@H]3CCNC(=O)c2cscn2)c1 575405741 ZPLLQUOEJAVAOR-MRXNPFEDSA-N 435.571 2.360 0 40 IEAB O=C(c1cccc(F)c1)N1CCC2(CC1)CCn1c2nn(Cc2ccccc2)c(=O)c1=O 585106533 YPSNGYQPFQDCLI-UHFFFAOYSA-N 434.471 2.170 0 40 IEAB CCn1cc(S(=O)(=O)N2CCN(c3nc(O)c(F)c(-c4ccccc4)n3)CC2)nc1C 1888930317 KZUKDOAXUUZWCX-UHFFFAOYSA-N 446.508 2.024 0 40 IEAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 3303637 PMJFRWYKFAUWHA-FQEVSTJZSA-N 427.432 2.109 0 40 IEAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 9216254 FUCRXDUEHIXNBT-BUYRESAOSA-N 442.946 2.412 0 40 IEAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 9536323 ONIAJMAHCFHWIL-BXKMTCNYSA-N 435.480 2.068 0 40 IEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 9980808 YYIXFVAKFHVUBS-SCLBCKFNSA-N 434.452 2.429 0 40 IEAB Cc1cccc2c(=O)n(CCCC(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cnc12 10408101 XYJWWCSJCMDQNN-UHFFFAOYSA-N 428.514 2.374 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1Br 11226359 LYBATFFMCJHJRQ-UHFFFAOYSA-N 439.331 2.400 0 40 IEAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(Cc4ccccc4)CC3)CC2)c(F)c1 12606383 RPZFTTRAJXMTSL-UHFFFAOYSA-N 438.547 2.495 0 40 IEAB CC(=O)Nc1cccc(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 12884707 MTDYSEFYJWCOIP-UHFFFAOYSA-N 426.498 2.445 0 40 IEAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1 13040884 XRZQGVGYWQKBKM-INIZCTEOSA-N 434.514 2.431 0 40 IEAB CCCn1c(SCC(=O)NC(=O)NCCCOC)nc2sc(CC)cc2c1=O 13135128 CYTMWUGDTHXJNX-UHFFFAOYSA-N 426.564 2.385 0 40 IEAB Cc1csc2nc(CNC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)cc(=O)n12 13235193 NKTGFANDFFMDKC-INIZCTEOSA-N 425.470 2.041 0 40 IEAB CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)ccc21 15357425 XWYYENLNVQEVGR-UHFFFAOYSA-N 443.573 2.328 0 40 IEAB CCOC(=O)c1cnn(-c2ccc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)cn2)c1N 15829770 SGJXZWOKSWPOOQ-UHFFFAOYSA-N 441.444 2.304 0 40 IEAB Cn1cc(C(=O)N2CCN(Cc3cccnc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 16839080 WBEVEUYEPMZRJH-UHFFFAOYSA-N 428.496 2.029 0 40 IEAB C[C@H](C(=O)N1CCN(S(=O)(=O)c2nn(C)cc2-c2cccnc2)CC1)c1ccccc1 19459333 LPNCYCLVEMMMHD-KRWDZBQOSA-N 439.541 2.119 0 40 IEAB COc1cccc(C(=O)COC(=O)c2ccc(NC(=O)C[C@@H]3SC(=N)NC3=O)cc2)c1 19633541 SCFVNLZLNAKKLL-KRWDZBQOSA-N 441.465 2.230 0 40 IEAB CC(=O)N1CCC[C@@H](c2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)cc(N(C)C)n2)C1 19709713 HBWLXTRDFANZSB-MRXNPFEDSA-N 449.552 2.228 0 40 IEAB O=C(NCCO)c1cc([C@H]2CN(C(=O)c3cc(C4CC4)on3)CCO2)nc2ccccc12 19759798 SEKKJKNJSGOEGT-OAQYLSRUSA-N 436.468 2.036 0 40 IEAB NC(=O)c1ccc(C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc1N 19766800 IFHRZWSYCIJVGE-UHFFFAOYSA-N 428.436 2.350 0 40 IEAB CCCOC(=O)c1ccc(OC[C@H](O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 19913345 JIZZMPKMGFYVDE-OAQYLSRUSA-N 426.513 2.451 0 40 IEAB COCCN(CCOC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)CC[C@H](NC(C)=O)[C@@H](C)[C@@H]2[C@H]1O 20466056 BSTGTQFYSYMEHS-SDGSYIHLSA-N 426.598 2.072 0 40 IEAB biogenic,in-vitro CN(C)C(=O)CN1CCN(CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 22934187 ZNPANFVZDBHSIS-HSZRJFAPSA-N 428.964 2.251 0 40 IEAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)COc2cccc(N3CCCC3=O)c2)c1 23111706 SXQHYEJMSYPWMY-UHFFFAOYSA-N 445.541 2.195 0 40 IEAB COc1cc2c(cc1OC)CN(CN1C(=O)C(=O)N(CCc3cccs3)C1=O)CC2 23819722 HKXRLNHBFIMZHN-UHFFFAOYSA-N 429.498 2.114 0 40 IEAB COc1cccc([C@@H](NC(=O)CCn2nc(O)c3ccccc3c2=O)c2nccn2C)c1 24019247 OIHJMIWXMFCKIF-HXUWFJFHSA-N 433.468 2.140 0 40 IEAB COC(=O)[C@H](CN1CCN(c2ccccc2C)CC1)[C@@](O)(c1nccn1C)C(F)(F)F 24927178 MLSOSWMSBLFINV-OXJNMPFZSA-N 440.466 2.090 0 40 IEAB COc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(O)c(OC)c3)[C@@H]2C(=O)C(F)(F)F)cc1 27754066 SOQICRJXVIIMDR-GPMSIDNRSA-N 440.374 2.356 0 40 IEAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 31241404 SYKGPAYAXJBEBA-KRWDZBQOSA-N 434.489 2.183 0 40 IEAB COc1ccc(CN(C)C(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1OC 32674199 KTAVPQUUJLJECZ-FQEVSTJZSA-N 445.541 2.426 0 40 IEAB CCOc1cc(C(=O)N2CCC[C@H](c3nnn[nH]3)C2)ccc1OCC(=O)N1CCCCC1 95432799 AOWALTSXYGDRKD-KRWDZBQOSA-N 442.520 2.010 0 40 IEAB CN(Cc1cccs1)C(=O)CN1CCCN(CC(=O)N(C)Cc2cccs2)CC1 95450886 NBTLDHZPBIEIGB-UHFFFAOYSA-N 434.631 2.434 0 40 IEAB O=C(NC1CCCCC1)[C@H]1N(C2CC2)C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@@H]3C=C[C@@]12O3 100431350 FBEYRBZCIYJZCO-NNIVGBBESA-N 449.551 2.065 0 40 IEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 102243023 GHIZWWXABHWRDW-RVKKMQEKSA-N 438.546 2.274 0 40 IEAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)CC1 107702768 QBSTURKWURSIMV-UHFFFAOYSA-N 433.530 2.039 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(OC)cc3OC)no2)c1 223908760 OZTARVVIISGHNN-UHFFFAOYSA-N 447.469 2.361 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2cc(C)cc(C)c2)cc1C(=O)N1CCOCC1 224076584 GBOSARZRQZJOFT-UHFFFAOYSA-N 448.541 2.142 0 40 IEAB COc1ccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 408562043 XFVJCEZKNJUKAU-ZDUSSCGKSA-N 426.922 2.383 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 408619914 OJYXNRTUHLKASD-UHFFFAOYSA-N 447.557 2.474 0 40 IEAB O=C(NCC1CCCCC1)c1nnc2n1CCN1CCN(C(=O)c3cccc(F)c3)C[C@@H]21 585109920 MPVVOXRFJGGWFZ-IBGZPJMESA-N 440.523 2.240 0 40 IEAB COc1cc(CN(C)C[C@]2(O)CCCN(c3ncccn3)C2)ccc1OCCCN(C)C 585274358 VIPAUSLOALSSEQ-XMMPIXPASA-N 443.592 2.279 0 40 IEAB COc1cccc(C(=O)N2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)c1 643564880 LINRIVYYHZXZBY-ROUUACIJSA-N 445.560 2.128 0 40 IEAB COCCN1C(=O)[C@H]2CN(C)CCN2C12CCN(C(=O)Nc1ccc(Cl)c(C)c1)CC2 1772595398 SQWASOYCYYFREU-LJQANCHMSA-N 449.983 2.077 0 40 IEAB CC(C)Oc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 3557096 LNOJVDVCXDRQJW-UHFFFAOYSA-N 446.525 2.392 0 40 IEAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 8755341 OQGUOIBHYCUISD-LBPRGKRZSA-N 440.547 2.364 0 40 IEAB Cc1nc2scc(C)n2c(=O)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8931832 IOEPXBFIKPNLEZ-UHFFFAOYSA-N 432.527 2.410 0 40 IEAB O=C(c1cnn(-c2ccccc2)n1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 9223957 XQDCZVBGPHTKLU-KRWDZBQOSA-N 430.468 2.325 0 40 IEAB O=C(c1cncc(Br)c1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9337171 NUJYVKBMCFWADT-UHFFFAOYSA-N 428.283 2.130 0 40 IEAB O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 9519396 MAOOPSGEHCVNCH-UHFFFAOYSA-N 449.463 2.093 0 40 IEAB CCc1ccc(-n2c(SCC(=O)NC(=O)NCCOC)nnc2-c2ccncc2)cc1 9581210 XCJIQEKMYBRFDX-UHFFFAOYSA-N 440.529 2.456 0 40 IEAB COc1ccc(-c2cc(C(=O)O)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1OC 9779468 OZZBOWXJYDKECY-ZDUSSCGKSA-N 431.470 2.482 0 40 IEAB O=C(NC[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1 9806906 UBSPYJNVGAGFLX-AWEZNQCLSA-N 427.935 2.310 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10337768 LGAKNLYDZUGKGR-KRWDZBQOSA-N 447.557 2.473 0 40 IEAB CCCCN(C(=O)CCc1ccc2c(c1)OCO2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 10444671 DEVZGJDXLIMOPA-UHFFFAOYSA-N 430.505 2.269 0 40 IEAB O=C1N[C@]2(C[C@H]3CC[C@@H]2C[C@@H]3C(=O)N2CCN(c3ncccn3)CC2)Oc2ccccc21 12185159 UYHFJLMGIQWKSW-MTBKGUCKSA-N 433.512 2.080 0 40 IEAB C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](C)C(=O)O 12881617 YFECGJUZJGVOSH-JKSUJKDBSA-N 447.532 2.049 0 40 IEAB biogenic Cc1cc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@H]4C)C3=O)CC2)nc(C(C)C)n1 13114781 SJRROOIGIRJPSM-MWTRTKDXSA-N 442.564 2.058 0 40 IEAB Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)o2)n(C)n1 13614530 LFGPMKJLVXTALH-UHFFFAOYSA-N 430.490 2.205 0 40 IEAB COc1cccc(-c2noc([C@@H]3CN(S(=O)(=O)CCc4ccncc4)CCO3)n2)c1 19566791 RRSZYRWRQOECCX-SFHVURJKSA-N 430.486 2.086 0 40 IEAB CNc1nc(C2CCN(C(=O)COc3ccccc3F)CC2)nc2c1CN(C(C)=O)CC2 19711429 XDYIHEFXUFKHMA-UHFFFAOYSA-N 441.507 2.347 0 40 IEAB Cc1nccn1C[C@H]1CCCN(C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)C1 19750554 HPZGTKLWFWXEOZ-OAQYLSRUSA-N 447.539 2.222 0 40 IEAB Cc1ccc(N2N=C(C(=O)NCc3cccc(NC(=O)c4ccco4)c3)NCC2=O)cc1 25150917 RLUNVSYUMISKKW-UHFFFAOYSA-N 431.452 2.406 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3cccc(C)n3)CC2=O)cc1 28194508 STUXBJXCSDZHIW-MRXNPFEDSA-N 430.530 2.412 0 40 IEAB CCN(CC)c1ccc(-c2nnc(SCC(=O)N3CCC[C@H](C(N)=O)C3)n2C)cc1 32745166 KBWHVWMFOUFGMX-INIZCTEOSA-N 430.578 2.144 0 40 IEAB O=C(c1ccccn1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1)CC2 72399076 ATKUVMJLCXSQNL-OAQYLSRUSA-N 430.512 2.486 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]32)cc1 102442364 FBXISWAPYPCUEL-UXHICEINSA-N 449.467 2.358 0 40 IEAB C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 103412843 SGKCBEGWPZEQCJ-OAGGEKHMSA-N 429.533 2.164 0 40 IEAB C[C@H](CNC(=O)CC[C@@H]1CCCO1)OC(=O)C1CCN(C(=O)CC[C@H]2CCCO2)CC1 108149488 VJTQQCNUOUQYAT-YZGWKJHDSA-N 438.565 2.191 0 40 IEAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 108235132 JVWWLZIATOOHAQ-APDHKMKFSA-N 428.492 2.204 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 222503558 NXHOFKNVXHJDHY-HNNXBMFYSA-N 437.949 2.269 0 40 IEAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCOCC3)ccc21 225692009 VIOVIYHTCGUHFH-UHFFFAOYSA-N 447.538 2.356 0 40 IEAB Cc1cc(N2CC[C@](O)(CNC(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1 257312773 UPLKKOJBLMUNJP-DEOSSOPVSA-N 439.560 2.021 0 40 IEAB CCC[C@H]1N=c2s/c(=C\c3ccc(O)c(OCC)c3)c(=O)n2C(C)=C1C(=O)OCC 408731682 OVYOAVSKWLQRBQ-PWDRBQJJSA-N 430.526 2.439 0 40 IEAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NCCc2cnc3c(Cl)cnn3c2)c1 1202794170 OYRQDUUEPPWWQT-UHFFFAOYSA-N 438.879 2.340 0 40 IEAB Cc1cc(N2CCN([C@@H]3CN/C(=C(/[O])N4CCSC4)C3)CC2)n(-c2ccccc2)n1 1560407664 LFVIAXQREOLBEQ-IBGZPJMESA-N 425.582 2.271 0 40 IEAB Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363964 PUYQNHHFJZOIKK-QGZVFWFLSA-N 440.529 2.319 0 40 IEAB NC(=O)COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2399879 RGFIBOJJHMMWEH-IIBYNOLFSA-N 434.448 2.381 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2ccc3c(OCC(=O)OC)cccc3c2=O)cc1 2712406 BTLXSWLCDXGTFY-UHFFFAOYSA-N 438.436 2.369 0 40 IEAB CN(Cc1c(Br)cnn1C)C(=O)c1cc2ncc(Br)cn2n1 2808883 SDBKTPBUTBPIMZ-UHFFFAOYSA-N 428.088 2.260 0 40 IEAB COc1cc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)cc(OC)c1 10272352 PQQKSZNHDMHKEW-UHFFFAOYSA-N 429.860 2.368 0 40 IEAB O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCO2 11613198 WSTYJXKGYOMNMP-UHFFFAOYSA-N 436.449 2.035 0 40 IEAB CCOC(=O)c1c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)sc2c1CC[C@@H](C)C2 12806221 GFAWVOHWOYYKKB-GFCCVEGCSA-N 449.554 2.486 0 40 IEAB Cc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)N2CCOCC2)o1 12850822 JTDTXSXYOOWXAS-FQEVSTJZSA-N 447.557 2.176 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 12896469 CMYFQLOKARALMU-UHFFFAOYSA-N 425.510 2.446 0 40 IEAB Cc1ccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1Cl 13566748 KPARMWKUDVRPLS-UHFFFAOYSA-N 436.921 2.244 0 40 IEAB COC(=O)C1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 13669338 UOHJLYNHIORTOA-UHFFFAOYSA-N 434.489 2.433 0 40 IEAB COc1cc2cc(C(=O)NCC(=O)N3CCN(Cc4ccccc4)CC3)[nH]c2cc1OC 13726605 RIAFYSQWANWTPU-UHFFFAOYSA-N 436.512 2.259 0 40 IEAB CCS(=O)(=O)c1ccccc1C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 14246781 NYLIGPPMWUXLSY-UHFFFAOYSA-N 431.449 2.487 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)O 15967787 HORMGZBYZMQGQC-SXYSGAINSA-N 447.557 2.155 0 40 IEAB biogenic CC(C)NC(=O)[C@H]1CN(C(=O)CC[C@H]2CCCO2)C[C@@H]1c1ccnc(N2CCCCC2)n1 19450101 KODMETQREOEUGY-AABGKKOBSA-N 443.592 2.493 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@H]1c1cnn(C)c1C 19637355 GFQRJUNELQDTRY-WBNHJWIASA-N 442.928 2.104 0 40 IEAB CCS(=O)(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1cccc(OC)c1)C(=O)CC2 19698627 SFZWUDOTPDVGLX-UHFFFAOYSA-N 432.546 2.097 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCCC4)nc(N)c32)c1 19819913 KTSXYIWUZSHRKG-ZDUSSCGKSA-N 426.477 2.131 0 40 IEAB C[C@@H]1Cc2cc(C(=O)NCCN3CCOCC3)ccc2N1S(=O)(=O)c1ccc(F)cc1 20449766 BFPGMVKDBLSHDS-MRXNPFEDSA-N 447.532 2.028 0 40 IEAB COc1ccc(CN2C(=O)[C@@H]3[C@H](C(C)C)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 20533650 GWCLICKBCFVVME-AZXNSQLWSA-N 437.471 2.411 0 40 IEAB O=S(=O)(c1ccc(Cl)s1)N1CCN(C[C@@H](O)COCc2ccccc2F)CC1 23409963 SNZVIFRCVATPNU-OAHLLOKOSA-N 448.969 2.425 0 40 IEAB Cc1noc(C)c1CN1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3cc(F)ccc23)CC1 36366987 UUWWKEAFBPPMHJ-NRFANRHFSA-N 444.463 2.413 0 40 IEAB COc1cc(CNC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cc(OC)c1OC 36392013 LMWIDYGZLZIYSD-LPHOPBHVSA-N 448.516 2.311 0 40 IEAB C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N4CCC[C@H](C(N)=O)C4)c23)C1 40160662 ZFMICXHWTHOCBP-CABCVRRESA-N 429.590 2.350 0 40 IEAB CCN(Cc1cccc(F)c1)C(=O)COC(=O)CCNC(=O)c1n[nH]c2ccccc12 58264846 LYMOGLKOCSMHSH-UHFFFAOYSA-N 426.448 2.414 0 40 IEAB CCOCc1nnc(NC(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)s1 72327586 SUOVMABKNHPLKM-NRFANRHFSA-N 444.513 2.430 0 40 IEAB Cc1nn(C)c(Cl)c1CN1C[C@@H](C(=O)NC(C)(C)C)[C@@]2(Cc3ccccc3C(=O)N2)C1 72334520 ZKTDFQDJQGQOBZ-FDDCHVKYSA-N 443.979 2.453 0 40 IEAB COCCN(Cc1ccoc1)S(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1 90612054 KSTSAUFNBUPVAX-UHFFFAOYSA-N 428.532 2.047 0 40 IEAB CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)O)[C@H](c2cccc(O)c2)C1 95532130 OAXYYJYPJOWRSN-SFHVURJKSA-N 431.470 2.306 0 40 IEAB CCOC(=O)N[C@@H]1CCCN(CCN2C(=O)COc3ccc(Br)cc32)C1 95995297 JCMILSWZASPPBP-CQSZACIVSA-N 426.311 2.385 0 40 IEAB COc1cc(OC)c([C@@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc1OC 96115055 PQAACAAUCDHDKV-OAHLLOKOSA-N 433.457 2.060 0 40 IEAB biogenic C[C@@]12C=C[C@@]3(O1)[C@@H](C(=O)NC1CCCC1)N(C1CC1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CCCCC1 100431087 LIOIFRWOLUNKAC-AKWSJDBWSA-N 441.572 2.197 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1cccc(F)c1 106615700 NCLOXHOSPVNJIO-DNVCBOLYSA-N 433.480 2.272 0 40 IEAB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1 223134409 CYCRCKSDMUENLE-UHFFFAOYSA-N 432.454 2.326 0 40 IEAB O=C(Nc1nnc(S(=O)(=O)NCCCn2ccnc2)s1)c1ccccc1Cl 223344492 MJRZIRZIESRFRV-UHFFFAOYSA-N 426.911 2.009 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC 224998252 PNFFHWKFANKIGD-UHFFFAOYSA-N 447.513 2.090 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 225192562 RKRSPFJAFBWLRB-SFHVURJKSA-N 431.558 2.233 0 40 IEAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N(CC)CC)C2=O)ccc1OCC(=O)O 409216807 LTHAQJUFPGHHHM-YBEGLDIGSA-N 436.486 2.453 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 575424644 UTWNFZORQSKUOF-MRXNPFEDSA-N 425.528 2.082 0 40 IEAB CN1c2cc(F)c(NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2N(C)S1(=O)=O 575610976 CTESIHKQHUUJNH-ZDUSSCGKSA-N 428.486 2.295 0 40 IEAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 585291697 FDRCDRUFSKNXFU-IPLHWJFFSA-N 432.532 2.855 0 40 IEAB COc1ccc(S(=O)(=O)N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)c(OC)c1 1888897917 RWBFRPXYTSITQC-HZPDHXFCSA-N 430.530 2.128 0 40 IEAB COc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)c1 932294 KJJZXWFHMNPRMA-UHFFFAOYSA-N 428.474 2.369 0 40 IEAB COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C=C(C(=O)O)[C@H]2CO)cc(OC)c1O 1868292 XCPQBTNKYMMDJL-DYVFJYSZSA-N 432.425 2.354 0 40 IEAB biogenic CCOC(=O)[C@H](Cc1ccccc1)NC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 2105034 RHXCZTGKYSMARR-OTWHNJEPSA-N 425.554 2.316 0 40 IEAB CCCCN(C(=O)CSc1nc2ccccc2[nH]1)c1c(N)n(CCC)c(=O)[nH]c1=O 3535075 FGFDREGOBMXKEC-UHFFFAOYSA-N 430.534 2.331 0 40 IEAB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 3978011 AKUJBENLRBOFTD-ARBOEXFKSA-N 434.504 2.467 0 40 IEAB CC[C@@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 8670703 RBAYRKPIKNRBGG-PMACEKPBSA-N 440.548 2.338 0 40 IEAB O=C1COc2ccc(S(=O)(=O)Nc3ccccc3I)cc2N1 8706591 PIPRPKNPDUSYDQ-UHFFFAOYSA-N 430.223 2.423 0 40 IEAB Cc1ccc(N(CCCC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1 9226328 HJOVRIPJASAXCT-UHFFFAOYSA-N 430.530 2.370 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1S(=O)(=O)N1CCCC1 9468844 ZDGRDKMRPSUBFU-UHFFFAOYSA-N 429.520 2.275 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9491608 XWSPBLRPMYKCMY-XMMPIXPASA-N 436.512 2.405 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1F 9569819 MYIFIBOBGOVKJC-UHFFFAOYSA-N 425.913 2.361 0 40 IEAB C[C@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1F 9787409 WOLOTKWWKGPCKL-ZDUSSCGKSA-N 433.461 2.215 0 40 IEAB COc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc(OC)c1OC 9887829 BXSHHRAHWCJPRW-UHFFFAOYSA-N 434.514 2.427 0 40 IEAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1ccccc1Cl)CC2 10705396 DSGZLDHNCYJAKP-UHFFFAOYSA-N 438.933 2.475 0 40 IEAB CCCC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3cccnc3)ccc2=O)cc1 11744025 VSGLYPFBRVZYDH-UHFFFAOYSA-N 441.513 2.022 0 40 IEAB O=C1COc2ccc(C(=O)COC(=O)CNC(=O)c3ccc(Cl)cc3Cl)cc2N1 12482759 JKKVPIOEUZPSEW-UHFFFAOYSA-N 437.235 2.480 0 40 IEAB CCOCCCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1 12513802 TXRCFFACQLRZFE-UHFFFAOYSA-N 431.558 2.354 0 40 IEAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 12998942 WVBZFFUCFMRXKE-FMIVXFBMSA-N 427.526 2.029 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2oc(S[C@@H](C)C(=O)N3CCOCC3)nc2c1 13022938 MBHFLIXBPLZDHO-ZDUSSCGKSA-N 427.548 2.198 0 40 IEAB Cc1ccc(-n2nnnc2SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 13414999 QOFQSKXFZLQGRX-GOSISDBHSA-N 436.497 2.356 0 40 IEAB C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCO1 13592762 IQZOTKDZUFDKAU-LZQZEXGQSA-N 431.533 2.148 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)O)CC2)c1 17099021 YSSHBUWXFBVHDW-TZJYRCSTSA-N 434.558 2.273 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1SC(F)F 18151633 WAMJVSNXFFCSAW-UHFFFAOYSA-N 443.497 2.347 0 40 IEAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)[C@@H]2CC(=O)N(C)C2)CCO1 19587325 FLELXEPLAMAUKI-GJZUVCINSA-N 449.551 2.060 0 40 IEAB Cc1cc(C(=O)N2CCO[C@@]3(CC=CCN(CCc4ccccc4)C3=O)C2)n2nccc2n1 19704379 FCFJMLQJNNWYHM-VWLOTQADSA-N 445.523 2.280 0 40 IEAB CNc1nc([C@H]2CCCN2C)nc2c1CCN(C(=O)c1cccc(N3CCOCC3)c1)C2 19752889 RJWAWYLGMQNDGJ-OAQYLSRUSA-N 436.560 2.320 0 40 IEAB COC(=O)c1ccc(OC[C@@H](O)CNC[C@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 22809283 OVCMXLHEZOJXCB-AZUAARDMSA-N 432.517 2.123 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)Cc2n[nH]c(=O)c3ccccc23)cc1OCC 23532795 LCCQVJYFMOJLII-UHFFFAOYSA-N 438.484 2.360 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 32769309 SQHUPFNUNUEOPM-HNNXBMFYSA-N 441.484 2.072 0 40 IEAB O=C(Cn1nc(O)c2ccccc2c1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 32911176 RUZAOHAQSPHPAW-UHFFFAOYSA-N 434.433 2.068 0 40 IEAB CCc1ccccc1NC(=O)CN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 35400230 BDYKGVUOUSCXHW-UHFFFAOYSA-N 447.539 2.201 0 40 IEAB CCn1nc(C)c(-c2cc(C(=O)Nc3ncnc4c3cnn4C)c3cnn(C)c3n2)c1C 36616785 JKGKVIVSILJJCM-UHFFFAOYSA-N 430.476 2.398 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2CN2CCCC2=O)cc1 43770770 NGYOUQACMWRVAW-UHFFFAOYSA-N 429.542 2.054 0 40 IEAB Cc1cc(C)n(-c2cccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)c2)n1 48248224 YSULTKSNWASDEI-UHFFFAOYSA-N 429.502 2.090 0 40 IEAB CN(C)c1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCCCCC3)ccc2=O)cc1 49410512 VWHBHHPVKLHKDL-UHFFFAOYSA-N 432.546 2.118 0 40 IEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1ccccc1C(=O)N1CCCC1 72235928 YYBOXNAALXKHJM-DEOSSOPVSA-N 432.480 2.255 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)c1[nH]nc(-c2ccccc2)c1Br 72274868 ULYXXSDXTQCMFJ-UHFFFAOYSA-N 438.307 2.308 0 40 IEAB O=C1CC[C@@H](C(=O)NCCc2nc(-c3ccccc3)ncc2C(=O)NCc2ccccc2)N1 72352084 ILGOYHIYOCCHDL-NRFANRHFSA-N 443.507 2.011 0 40 IEAB CCCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCCc1ncc(CC)s1 89960383 OCTGEZOXATZVDY-UHFFFAOYSA-N 447.604 2.387 0 40 IEAB C[C@@H](CCOc1ccc([C@H]2CC(=O)NC2=O)cc1)Oc1ccc([C@@H]2CC(=O)NC2=O)cc1 100508786 OOYBLZBMDSJHSD-KPOBHBOGSA-N 436.464 2.183 0 40 IEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)CCCC2 224500994 UMOXVAJPWNJCRU-UHFFFAOYSA-N 444.553 2.395 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1)Cc1ccccc1F 224803247 RQVRAQLFCPCZOR-UHFFFAOYSA-N 433.549 2.500 0 40 IEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CC(=O)Nc3ccccc32)s1 225447661 LBWJWMFFBZPXSA-UHFFFAOYSA-N 429.483 2.246 0 40 IEAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1[C@H]2NC(=O)CN 247977349 GFBYBDVHHHAIFG-GGBSJPMNSA-N 434.584 2.392 0 40 IEAB CCOc1ccc(CN2CCc3c(nc([C@@H]4CCN(C(C)=O)C4)nc3NC)C2)cc1CO 257248086 JCARJMSVVSECQE-GOSISDBHSA-N 439.560 2.303 0 40 IEAB NC(=O)CN(CCCc1ccccc1)C(=O)COc1c(Br)cccc1C(=O)O 257254977 KFOYUDIZWCGLPE-UHFFFAOYSA-N 449.301 2.473 0 40 IEAB CCc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)cc1 408615172 MVEXUPMNSKRQKC-FUHWJXTLSA-N 439.512 2.116 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 8856519 RDYYNNNAKVQNDY-KCOOYEKVSA-N 431.448 2.043 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@H]3c3cccn3C)CC2)cc1 8922838 DEQHPUWMVLKJDK-NRFANRHFSA-N 430.574 2.004 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O 8993829 OEISKPPXUXKEKB-NRFANRHFSA-N 442.545 2.071 0 40 IEAB CC1(C)Cc2c(sc(NC(=O)N3CCN(C(=O)c4ccco4)CC3)c2C(N)=O)CO1 9341719 LPHLQBSDRUOQBM-UHFFFAOYSA-N 432.502 2.281 0 40 IEAB CCOc1ccc(-c2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)o2)cc1 9385121 JQPDTPUKCFDVDB-UHFFFAOYSA-N 444.513 2.415 0 40 IEAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccccc1Cl 9546917 HDFSISAPSLSRIM-KRWDZBQOSA-N 449.960 2.173 0 40 IEAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cc(OC)ccc4OC)nc32)cc1 9739082 PPVVSKPTCRLKDD-UHFFFAOYSA-N 435.440 2.291 0 40 IEAB CC(C)/N=c1\ccccn1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 11374511 GPIVPZSKXPURBV-XTQSDGFTSA-N 445.541 2.310 0 40 IEAB CC(C)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 12932374 KBKFYNMOGSANFJ-UHFFFAOYSA-N 429.533 2.355 0 40 IEAB Cc1cccc(-n2nnnc2SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 13394294 QUOFYOAJNBEHBI-GOSISDBHSA-N 436.497 2.356 0 40 IEAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)C1=O 13690683 MYYJQIFWOIASKG-UHFFFAOYSA-N 434.539 2.136 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2sc3ncn(C)c(=O)c3c2C)c1C 14199675 OVTZIRBRSCGCDQ-LLVKDONJSA-N 431.470 2.463 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(CN3CCOCC3)cc2)cc1C 18217046 ILHIDQOQQVALSN-UHFFFAOYSA-N 445.585 2.120 0 40 IEAB Cc1ncc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)c(-c2ccccn2)n1 19287096 BUKKPNAUAHVOFU-UHFFFAOYSA-N 429.546 2.260 0 40 IEAB O=C(C[C@@H]1CCS(=O)(=O)C1)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19344021 KYOADCFPDUAXMH-AWEZNQCLSA-N 431.543 2.010 0 40 IEAB COc1ccc(CCNC(=O)CN2C(=O)[C@@H]3CCCN3C(=O)c3ccccc32)cc1OC 19560616 RUOOWPRGWGKLRZ-IBGZPJMESA-N 437.496 2.014 0 40 IEAB biogenic O=C(Nc1ccccc1)c1cnc(N2CCOCC2)nc1CCNC(=O)[C@@H]1CC12CCC2 19697808 ATXQFXOJKNULAL-IBGZPJMESA-N 435.528 2.414 0 40 IEAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)COc1ccc(F)cc1)CC2 19710287 OEKCXXPHWVUGOX-MRXNPFEDSA-N 441.507 2.347 0 40 IEAB CNc1nc(C2CCN(C)CC2)nc2c1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 19710677 GUCOQHLAFLXWRC-UHFFFAOYSA-N 431.562 2.083 0 40 IEAB COc1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(OC)c1OC 22331157 GOAZZJJUSYHSFG-UHFFFAOYSA-N 442.921 2.448 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1OCC 25608245 SIYXXJBSMNMFDO-YCRPNKLZSA-N 435.546 2.335 0 40 IEAB O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 40080067 HXIKGBOQSVTOKZ-AWEZNQCLSA-N 448.470 2.079 0 40 IEAB C[C@H](C(=O)Nc1ccc(NC(=O)NCc2ccc(-n3cccn3)nc2)cc1)n1cncn1 58281094 NBIIRFXBXQOUSB-OAHLLOKOSA-N 431.460 2.380 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)Nc4ccc5c(c4)CCC5)c(=O)c3s2)CC1 67225995 BFJFKUDLZJFBPM-UHFFFAOYSA-N 438.557 2.122 0 40 IEAB CCN1CC[C@@]2(CN(c3ncccn3)CC23CCN(C(=O)NC2CCCC2)CC3)C1=O 96144394 SADUQFKWEOJKKX-HSZRJFAPSA-N 426.565 2.270 0 40 IEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)O)CC1 100772561 OBTZKGKFJMXNSU-NXOAAHMSSA-N 441.569 2.438 0 40 IEAB COc1ccc(CNC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c(OC)c1OC 220481297 FOMINGFGBMPTHE-ZDUSSCGKSA-N 440.493 2.322 0 40 IEAB CSc1nnc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)s1 223521880 RIKSNNRNOVISKJ-UHFFFAOYSA-N 437.366 2.427 0 40 IEAB COc1ccccc1OCCNC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 223671211 FUQKOIMZSWOOEL-UHFFFAOYSA-N 442.921 2.318 0 40 IEAB COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224800717 QJTDPYQJOCYJLZ-UHFFFAOYSA-N 425.459 2.089 0 40 IEAB Cn1c(=O)sc2cc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)ccc21 225038050 CASJDSGXVAFBPB-UHFFFAOYSA-N 427.454 2.283 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3F)n(C)n2)C1 257207439 BHSRJTOVNFFTSG-HXUWFJFHSA-N 440.541 2.141 0 40 IEAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C 408702646 CCOZDEHLHRNQLF-CQSZACIVSA-N 448.497 2.346 0 40 IEAB O=C1CNC(=O)C2(CC=CC[C@H]3COCC[C@H]3N1)CCN(C(=O)c1cccc(F)c1)CC2 1615525911 GDBAOUJGCFSZOL-AZUAARDMSA-N 443.519 2.036 0 40 IEAB O=C1[C@H](N2CCC(COc3ncc(Br)cn3)CC2)CCN1CC(F)(F)F 1888843792 RMLQCZPJMDBPTL-CYBMUJFWSA-N 437.260 2.493 0 40 IEAB CCOc1cc(S(=O)(=O)NCCc2ccccc2C)c(OCC)cc1-n1cnnn1 1325346 ODYBWCSDOHUZFX-UHFFFAOYSA-N 431.518 2.289 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCC(C)CC1 2633103 XZDLXVSQELASAK-INIZCTEOSA-N 428.576 2.116 0 40 IEAB CC(=O)c1cc(F)ccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 3428062 XGEDGLYASXQYIN-UHFFFAOYSA-N 434.489 2.249 0 40 IEAB COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCc2ccccc21 6136301 SIBMKHLLSNYUJS-NRFANRHFSA-N 446.467 2.042 0 40 IEAB COCCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 6238924 OETBRLCRHSGQGM-KRWDZBQOSA-N 447.557 2.191 0 40 IEAB COc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1S(=O)(=O)NC1CC1 9118997 NLSZQOALDAWYIB-UHFFFAOYSA-N 428.514 2.306 0 40 IEAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O 9465840 YRDLDQSBIPPUFR-FQEVSTJZSA-N 440.847 2.054 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)cc1 9537253 WMSWEOMQNYEQHR-UHFFFAOYSA-N 430.526 2.096 0 40 IEAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCCc1ccc(F)cc1 9612778 MHOWLXZCOODRSB-UHFFFAOYSA-N 434.489 2.126 0 40 IEAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1F 9743659 LCHZKHZNKNBWAE-GOSISDBHSA-N 447.532 2.192 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cc3c(C)nn(C)c3C)CC2)c1C 10042889 JDOYACGSCRXGPD-UHFFFAOYSA-N 432.590 2.346 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)cc2=O)n(C)n1 11221463 MIKLSRBFWYSADS-UHFFFAOYSA-N 449.389 2.397 0 40 IEAB CC(C)CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N 12472358 ZRTZVGMCBWPNBG-AWEZNQCLSA-N 431.562 2.060 0 40 IEAB CC(C)CN(C(=O)COc1ccc(Br)cc1C=O)[C@H]1CCS(=O)(=O)C1 13007107 GHROMOUEWPQEJX-HNNXBMFYSA-N 432.336 2.312 0 40 IEAB CCN(C(=O)[C@@H](C)OC(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 15852784 MROPRCCTSXILFK-NVXWUHKLSA-N 425.547 2.330 0 40 IEAB NC(=O)[C@H]1CCCN(C(=O)CN2C[C@H](c3ccc(Cl)cc3)[C@@H](c3csnn3)C2)C1 19336306 XEOWKWLOCQJPSD-UAGQMJEPSA-N 433.965 2.098 0 40 IEAB COCCn1c(=O)n(C)c(=O)c2ccc([C@H]3CCCN(Cc4ccc(OC)cc4)C3)nc21 19743589 JHWKDWBWYDICTA-SFHVURJKSA-N 438.528 2.130 0 40 IEAB CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c2cccn2C)CC1 21156898 XTVCEMQKRCPCFC-GOSISDBHSA-N 437.466 2.087 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4c(C)cccc4C)C3=O)CC2)cc1 21817228 CCCYVRPOEZRQRC-FQEVSTJZSA-N 441.553 2.250 0 40 IEAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccccc1Cn1cccn1 21973244 YHFQUNQTTDTLLB-UHFFFAOYSA-N 431.496 2.104 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(OC)cc2)cc1 22229162 BTLJHQMOXZELCR-UHFFFAOYSA-N 433.530 2.023 0 40 IEAB COc1ccc2c(c1)CCCN2C(=O)CN1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 22848503 XZVLLVYAPFWHLH-BGYRXZFFSA-N 442.604 2.097 0 40 IEAB CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)CN2CCN(C(C)(C)C)CC2)cc1 23093015 JELDBPWNWDUHDU-OAQYLSRUSA-N 436.560 2.315 0 40 IEAB COc1ccc(Cl)cc1NC(=O)C(=O)NCC(=O)N1CCO[C@H](c2ccccc2)C1 23127900 BCJDAWKTAKXSPI-SFHVURJKSA-N 431.876 2.003 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCCCn3nc(C)cc3C)CC2)c1 32999745 LXBATXWTZOVVDR-UHFFFAOYSA-N 446.573 2.310 0 40 IEAB C[C@@H](NC(=O)[C@@H](C)n1cnc2ccccc2c1=O)C(=O)NCCc1c[nH]c2ccccc12 36584593 WKBONKNLKZTFQC-HZPDHXFCSA-N 431.496 2.302 0 40 IEAB biogenic CCOc1ccc(NC(C)=O)cc1S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 40047142 WOCFMQCXMHSNHK-HXUWFJFHSA-N 447.557 2.223 0 40 IEAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)cc1 40388812 SJLQWVWHOZQIBB-XJKSGUPXSA-N 425.489 2.469 0 40 IEAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)Nc1cccc(Cn2cccnc2=O)c1 48368820 NMDSLPFFJGMKLU-QFIPXVFZSA-N 433.512 2.314 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(C(=O)N(C)C)cc2)s1 71795986 SNTNIPZKYVTXOV-QGZVFWFLSA-N 435.571 2.228 0 40 IEAB Cc1n[nH]cc1C(=O)N1CCC(c2nc(N3CCC[C@H](C)C3)ncc2S(C)(=O)=O)CC1 72335941 KEKRANOJGMOZQD-AWEZNQCLSA-N 446.577 2.168 0 40 IEAB CCN1CCN(C(=O)CCn2cnnn2)[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 72351935 GZTQJKOWUFMKPA-OAQYLSRUSA-N 436.491 2.171 0 40 IEAB CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCCC[C@@H]2Cn2ccnn2)s1 95469248 HJTJASCKLQBGKR-OAHLLOKOSA-N 439.607 2.288 0 40 IEAB CCOc1ccc(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 219990918 NINCFRMKQDKZNY-UHFFFAOYSA-N 432.542 2.469 0 40 IEAB COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1OC 223106497 JXXCSLLHZCDODY-OAHLLOKOSA-N 436.530 2.226 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3)no2)ccc1OC 223905726 HWDVPZLVZMNRHM-UHFFFAOYSA-N 430.486 2.316 0 40 IEAB CCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 225560229 MDYAJMWIFPOBQV-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB COC(=O)C[C@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H]2CCOC2)CCO1 559181504 WXHYXOMCLXPNDW-IRXDYDNUSA-N 439.516 2.242 0 40 IEAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)CCOc2ccc(F)cc2)CCO1 585282914 JQXLJXIBTRMFKN-JOCHJYFZSA-N 434.439 2.286 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC[C@@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)c1 1258995716 XCOURVXVERFKDP-GOSISDBHSA-N 437.909 2.012 0 40 IEAB COc1cc2ncn([C@@H]3[C@@H](O)[C@H](NCCCc4ccccc4)[C@H]4CO[C@@H]3O4)c2cc1OC 1534639829 IZFWVMPHXKERPT-ZSXJVMONSA-N 439.512 2.302 0 40 IEAB Cc1nc2cncc(N3CCN(Cc4nc(O)c5ccc(C(F)(F)F)cc5n4)CC3)n2n1 1615059116 VNKKJWOSRAUIRF-UHFFFAOYSA-N 444.421 2.423 0 40 IEAB CC(C)c1nc(S(=O)(=O)N2CC(n3nc(-c4cccc(F)c4)ccc3=O)C2)cn1C 1775974111 LHGMWSAEOPNGPT-UHFFFAOYSA-N 431.493 2.152 0 40 IEAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)c5ccccc5Cl)C[C@H]4C3)nn12 1888930421 CDQHZKFKCSPHEY-ZIAGYGMSSA-N 432.937 2.097 0 40 IEAB CCc1ccccc1N(CC(=O)N1CCN(c2ccccc2OC)CC1)S(C)(=O)=O 655948 GHTIEQDAZIMJPC-UHFFFAOYSA-N 431.558 2.372 0 40 IEAB O=S(=O)(O)CCCSc1nc2ccccc2nc1SCCCS(=O)(=O)O 3172560 PQPLOTWLZKADPI-UHFFFAOYSA-N 438.574 2.370 0 40 IEAB O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(c2ncccn2)CC1 3603598 QHHTVTKBADXZDB-UHFFFAOYSA-N 429.546 2.004 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@H](C)NC(=O)C1CCN(C(=O)[C@@H](N)CC(C)C)CC1 4083813 AQAWWQPFTXWROG-WMZOPIPTSA-N 432.565 2.059 0 40 IEAB biogenic O=C(COc1ccccc1)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@H]12 5438454 ZFZOJGMRUIKAJO-ZCLUNYJNSA-N 438.509 2.347 0 40 IEAB biogenic,in-vitro CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(OC)cc1 8995400 UBENITWJZOHZRX-LEWJYISDSA-N 436.512 2.224 0 40 IEAB COc1ccc(OC)c(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 9124740 MINQAZUQOUKZPZ-UHFFFAOYSA-N 425.441 2.297 0 40 IEAB COc1ccc(-c2nnc(S[C@H](C(=O)N3CCOCC3)c3ccccc3)n2N)cc1 9595109 RNEIGNVDVYOXAC-SFHVURJKSA-N 425.514 2.360 0 40 IEAB Cc1cccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)c1 9713223 QBJQMZZGABUIDA-UHFFFAOYSA-N 429.480 2.496 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9863866 BVTHHZAQSOIALF-HXUWFJFHSA-N 443.525 2.379 0 40 IEAB COC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)s2)NC(=O)N[C@@H]1c1ccc(O)cc1 10273623 VMKUDJZUZGRRFO-OAHLLOKOSA-N 442.902 2.362 0 40 IEAB Cn1c(=O)n(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc21 11327965 LYJSDGMKQLTVAU-UHFFFAOYSA-N 428.514 2.153 0 40 IEAB CC(=O)N1CCC[C@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 12162921 RKGBEDJZRZNOIE-ITSWEJNFSA-N 432.540 2.404 0 40 IEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCNC(=O)c1cccnc1)[C@@]1(C2)NC(=O)c2ccccc2O1 12185132 PGBMOFZXMIDILH-JKDBKWGBSA-N 448.523 2.273 0 40 IEAB COc1ccc(-c2cc3nc(CCNC(=O)c4c(C)cc(C)n(C)c4=O)nn3cn2)cc1 12234746 ZXUIKHZHQNOJFO-UHFFFAOYSA-N 432.484 2.088 0 40 IEAB CC(C)CCNC(=O)[C@@H](c1ccncc1)N(CCCO)C(=O)[C@H]1COc2ccccc2O1 12471792 FVOFXSUWXMSIPO-FGZHOGPDSA-N 441.528 2.336 0 40 IEAB CCn1c(CCC(=O)N2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12582142 QYTYQTFUQITJLW-UHFFFAOYSA-N 434.562 2.022 0 40 IEAB COc1ccc(C(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3nc(C)nc(C(N)=O)c32)cc1 13228025 XDIZBSCPTAGEBK-UHFFFAOYSA-N 435.415 2.020 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NCCCn2nc(-c3cccs3)ccc2=O)c1 13799916 QYMKEPNWCINAII-UHFFFAOYSA-N 435.527 2.358 0 40 IEAB COCCN1Cc2cccc(C(=O)NCCc3nc(C)ncc3-c3cc(C)no3)c2C1=O 19123372 VUYJJXIHIDCXGX-UHFFFAOYSA-N 435.484 2.323 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCCC(C)(C)C3)CC1)CNC2=O 19461205 CEMGKDWPEFKMRH-DEOSSOPVSA-N 443.544 2.217 0 40 IEAB CNc1cc(CN(C)C(C)=O)nc([C@@H]2CCCCN2CCS(=O)(=O)c2ccccc2)n1 19709773 HAYSMKFGPJJEOX-FQEVSTJZSA-N 445.589 2.498 0 40 IEAB CNc1nc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)nc2c1CN(C(C)=O)CC2 19710482 VXPMIGQEJPPDOE-INIZCTEOSA-N 441.507 2.347 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1 28208020 OVCZIEFNVQHHAY-UHFFFAOYSA-N 437.949 2.318 0 40 IEAB COc1ccc([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1OC 30854351 JCOORAYSCBQGHN-INIZCTEOSA-N 448.541 2.357 0 40 IEAB Cc1cccc(NC(=O)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 32171052 ZBYZRQAELBRSBO-UHFFFAOYSA-N 447.513 2.051 0 40 IEAB CCc1nn2c(=O)cc(COC(=O)[C@H](NC(=O)c3ccccc3OC)C(C)C)nc2s1 32775988 QEXYTCXLJJYEKE-GOSISDBHSA-N 444.513 2.220 0 40 IEAB Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc(S(=O)(=O)N(C)C)c1C 32809125 NBHIKDYSNVFVOB-HNNXBMFYSA-N 436.559 2.254 0 40 IEAB CCOC(=O)CCN1C(=O)[C@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 35053099 MFASYSIHSLHQSR-CKUWAAHNSA-N 436.555 2.009 0 40 IEAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 36384998 YPXGAPDUFCQIQO-HNNXBMFYSA-N 446.910 2.380 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)cc1 40477188 UPIHLMZLDASYNZ-UHFFFAOYSA-N 446.467 2.160 0 40 IEAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1ccccc1Br 49548837 RWOMXKOQKXIKNN-UHFFFAOYSA-N 442.273 2.112 0 40 IEAB COc1cc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)cc(OC)c1 67245830 HRUHJAASEIUSKY-UHFFFAOYSA-N 449.529 2.069 0 40 IEAB CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1O)c1cc2cccc3c2n(c1=O)CCC3 71281782 KBVBILAOKOVGQO-INIZCTEOSA-N 425.437 2.184 0 40 IEAB biogenic CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCC[C@H]1c1nc3ccccc3n1C)n2C 72314365 FOWOGXVNBMUQBT-KRWDZBQOSA-N 435.532 2.447 0 40 IEAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)n1 72374993 XXAWGHCYFUVJJT-GOSISDBHSA-N 438.532 2.269 0 40 IEAB CC[C@H](C)NS(=O)(=O)c1cc(-n2cc(S(=O)(=O)N[C@H](C)CC)cn2)ccc1C 84726628 HUPVCVIOSJLHIU-CABCVRRESA-N 428.580 2.334 0 40 IEAB Cc1ccsc1C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(Cc3cnn(C)c3)C[C@@H]2C1 96251310 NQPXUFRPPLOYHY-GCJKJVERSA-N 429.590 2.233 0 40 IEAB Cc1ccoc1C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ccccn3)C[C@@H]2C1 96251482 VDUDYKKCHCJBLF-CYFREDJKSA-N 438.528 2.201 0 40 IEAB COC(=O)Cn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2c(C)cc(C)cc21 100910654 ZXFPIVZFYCHOKX-FCQUAONHSA-N 437.477 2.216 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1C 102136175 HOMOELKBCAUBPK-RRFJBIMHSA-N 432.473 2.098 0 40 IEAB O=C1C[C@H](C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)C2(CCCCC2)O1 105744510 VORSMZZPSNUUPP-OXQOHEQNSA-N 447.557 2.221 0 40 IEAB CCCC[Sn](CCCC)(SC[C@H](O)CO)SC[C@H](O)CO 195915423 BPZBMXMGCUKIDL-UCQYJBEHSA-L 447.251 2.202 0 40 IEAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 211126314 VCFXOMVYYJFOHU-UHFFFAOYSA-N 439.479 2.251 0 40 IEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1OC 223583716 ZUOJOJBXZQZNAY-UHFFFAOYSA-N 433.442 2.004 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 224247054 KKVGQITZILMYFJ-UHFFFAOYSA-N 445.585 2.344 0 40 IEAB Cc1cc(C)c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 224501057 PQNCBIASFMDRKK-UHFFFAOYSA-N 432.542 2.442 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N[C@@H](c3cccnc3)C3CCOCC3)cc3c2N1CC3 225625037 RMCWFQLFSQFNIM-OAQYLSRUSA-N 427.526 2.363 0 40 IEAB COc1ccc(-c2cc(C(=O)NCCn3cccc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 524733357 KLRHMTNWNGEZDY-QGZVFWFLSA-N 428.514 2.150 0 40 IEAB CCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc(C)ccc1C)C(N)=O 685175357 UCYBNLBWDCRAPX-PMACEKPBSA-N 443.569 2.189 0 40 IEAB COc1ccccc1CC(=O)N1CCCN(c2ccc3nnc(-c4cccnc4)n3n2)CC1 1775972942 FAGMBGNXGXFVRM-UHFFFAOYSA-N 443.511 2.476 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)Cc5ccccc5)C[C@H]4C3)ncn2)n1 2086896869 RFIOAAZLXCNOIQ-BGYRXZFFSA-N 438.557 2.177 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NCC(=O)Nc2cccc(C)c2C)cc1 8637623 UZYKEXGNWUCYFT-UHFFFAOYSA-N 446.525 2.074 0 40 IEAB CCCNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1 8680011 MGIAWSBQMSLHQK-UHFFFAOYSA-N 429.970 2.104 0 40 IEAB COc1ccc(C(=O)Nn2cc3c(c2-c2ccc(OC)cc2)c(=O)n(C)c(=O)n3C)cc1 9348871 GGQYZAAJFIAOAT-UHFFFAOYSA-N 434.452 2.107 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3ccc(Br)o3)CC2)cc1 9469666 RTIVFHZWIVUXRV-UHFFFAOYSA-N 434.290 2.323 0 40 IEAB CN(Cc1cccc(F)c1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9733531 ZKBYWNQWFNTPDV-UHFFFAOYSA-N 427.523 2.250 0 40 IEAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1cccs1 9743185 CLCLNVSSSAFTTP-INIZCTEOSA-N 435.571 2.114 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccccc2F)c1 9807251 CYBXFBDIIFZLOF-MRXNPFEDSA-N 433.505 2.351 0 40 IEAB CCN(CC(=O)Nc1cccc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430716 PBXBRGLFCWMAOZ-UHFFFAOYSA-N 427.892 2.286 0 40 IEAB CCc1cccc(C)c1NS(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC 11858372 BWFZPXSUEJGJIU-UHFFFAOYSA-N 438.527 2.433 0 40 IEAB COc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 12533186 KOSIJUOCBXYNSF-UHFFFAOYSA-N 440.905 2.323 0 40 IEAB O=C(c1c(-n2cccc2)sc2c1CCCC2)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 12806517 QSIZFQBCFJZOFR-INIZCTEOSA-N 433.599 2.363 0 40 IEAB Cc1cc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1 12949388 PDAGRLJQMFFBAJ-UHFFFAOYSA-N 442.497 2.031 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NCCCOC)ccc1OC 13677637 DMCQATMMVPAVPI-UHFFFAOYSA-N 449.529 2.012 0 40 IEAB CCOC(=O)CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 13684717 UXYRRPLBKQONJP-CHWSQXEVSA-N 433.349 2.087 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCN2C(=O)COc3ccccc32)c1 14248249 ZQJVXUPWKLZLEV-UHFFFAOYSA-N 447.513 2.177 0 40 IEAB O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339572 PZCPMCVPFFNECP-QGZVFWFLSA-N 435.553 2.343 0 40 IEAB CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19446835 GSFAYDRYMNISSC-VQTJNVASSA-N 442.564 2.486 0 40 IEAB CCn1nc(C)c(NC(=O)CN2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1C 19523852 PLOMJGQDJXSHOA-UHFFFAOYSA-N 439.516 2.384 0 40 IEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccn(CC(=O)N(C)C2CCCCC2)c1=O 19750071 ROBOTKYJEUIGAH-MRXNPFEDSA-N 441.576 2.351 0 40 IEAB O=C(CN1CCN(CN2CCOC2=S)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 22801681 RZJXSYUKRBUBDE-UHFFFAOYSA-N 436.887 2.490 0 40 IEAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)NC[C@@H]2COc3ccccc3O2)C1=O 24971760 KIZHVYFAFZMXDG-IQMFZBJNSA-N 435.436 2.156 0 40 IEAB COc1ccc(C)cc1CN1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 30282086 WBXZGJXQBGHRSH-UHFFFAOYSA-N 442.541 2.131 0 40 IEAB CCOc1cc(Br)c(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1OCC 32780721 ZOPWQBHJLVBIGI-ZDUSSCGKSA-N 434.352 2.435 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3c(C)nn(C(F)F)c3C)CC2)c(OC)c1 36614925 FOJZFXLZEGPBKW-UHFFFAOYSA-N 444.504 2.419 0 40 IEAB COC(=O)CNC(=O)C1CCN(c2nc3c(-c4ccccc4F)csc3c(=O)[nH]2)CC1 49421088 NJTHVFMXATVXSE-UHFFFAOYSA-N 444.488 2.296 0 40 IEAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 69297635 DEVSWMIBJHAJCU-YCPFAOKUSA-N 439.493 2.481 0 40 IEAB CCOC(=O)c1sc(NC(=O)C[C@H]2N=C(O)N(CCc3ccccc3)C2=O)nc1C 95475413 PNEFDDVXKVVSIH-CQSZACIVSA-N 430.486 2.324 0 40 IEAB Cn1c(N2CCN(C(=O)[C@H]3CC(=O)N(c4n[nH]c5ccccc45)C3)CC2)nc2ccccc21 96343936 KWIFKVKLZSNRRT-INIZCTEOSA-N 443.511 2.151 0 40 IEAB O=C(COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)N1CCN(Cc2ccccc2F)CC1 104675223 AEXIMQHETOECOM-JSODFGIGSA-N 430.520 2.344 0 40 IEAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2C)cc1 224224728 QVMIFCNZCIPFEP-UHFFFAOYSA-N 445.541 2.166 0 40 IEAB O=C(O)c1cnc([C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)[nH]c1=O 224969313 DTOWPCVYCAZTFG-VIFPVBQESA-N 432.285 2.343 0 40 IEAB CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)CN(Cc3cccc(F)c3)CC2)C1 306145114 ZYOFLFQDYCMQBH-DEOSSOPVSA-N 439.535 2.406 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 408601024 DQOHZOHTHHXZDM-HNNXBMFYSA-N 436.530 2.128 0 40 IEAB CCOc1ccccc1OCc1nn2c([C@H]3CCCN(S(C)(=O)=O)C3)nnc2s1 1501040226 GZCVJUCWRJRKIK-ZDUSSCGKSA-N 437.547 2.303 0 40 IEAB CC(C)CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)NCc3ccco3)cc2C1=O 3358528 NUCUXXWZQVRLFJ-UHFFFAOYSA-N 441.440 2.105 0 40 IEAB Nn1c(SCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1 3442381 RULZNURZVHRXQO-QGZVFWFLSA-N 449.602 2.099 0 40 IEAB COCCn1c(C)cn2c3c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n(C)c3nc12 6444622 XNUVMNHJYTZWDG-UHFFFAOYSA-N 436.299 2.459 0 40 IEAB Cc1ccc(NC(=O)CNc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N(C)C 9402825 LIVGFXRRCSISDM-UHFFFAOYSA-N 432.546 2.133 0 40 IEAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccc(OC)cc3)c2=O)cc1 9660590 ARLKCXRDKVMNHZ-UHFFFAOYSA-N 446.463 2.262 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1Cl 10332341 RCPAAJGTCOOJPC-NSHDSACASA-N 425.894 2.241 0 40 IEAB Cc1cc(C)n(CCCNC(=O)c2ccc(NC(=O)CSc3nncn3C)cc2)n1 12599199 KDUSMNJESGRJIH-UHFFFAOYSA-N 427.534 2.179 0 40 IEAB Cc1c(C(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)oc2ccccc12 12746023 NJSLLYVGXMDDQL-JOCHJYFZSA-N 430.424 2.367 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 13576276 QQHOARSWSMHVFF-MKRLJBPISA-N 442.946 2.412 0 40 IEAB COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1S(=O)(=O)c1ccc(OC)cc1 15676399 ILINPQFAUQLGKA-FQEVSTJZSA-N 441.509 2.229 0 40 IEAB biogenic,in-vitro CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3ccccc3)C2)cc1 16847562 AZSPGUWBZMXYFB-FQEVSTJZSA-N 445.541 2.160 0 40 IEAB COc1ccc(NC(=O)Cn2cnc3c(nnn3-c3cccc(Cl)c3)c2=O)c(OC)c1 16944751 OTFAWBYBLLFHEN-UHFFFAOYSA-N 440.847 2.287 0 40 IEAB Cc1ccccc1NC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1 17135971 JQFZXFCLSZWLPB-UHFFFAOYSA-N 448.508 2.274 0 40 IEAB Cc1cnc(-c2nc(CN(C)C(=O)[C@@H]3CCCO3)ncc2C(=O)NCc2ccccc2)cn1 19696904 DRXRWEMJJHTZAA-FQEVSTJZSA-N 446.511 2.309 0 40 IEAB c1ccc([C@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 20101269 VAUKCDHMTBCLSG-QFIPXVFZSA-N 431.544 2.302 0 40 IEAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)[C@H]3C[C@@H]3C)ccc2OC)cc1 23189112 QKSOEMGTOMMGMT-GUYCJALGSA-N 447.513 2.215 0 40 IEAB CC(C)(C)OC(=O)NC1(CNC(=O)C2CCN(S(C)(=O)=O)CC2)CCCCCC1 24496144 HXSRLFCZNFMPDO-UHFFFAOYSA-N 431.599 2.392 0 40 IEAB CCOC(=O)C1=C(CN(C)Cc2ccc3c(c2)OCCO3)NC(=O)N[C@@H]1c1ccco1 26853915 XJZORUHXGIPXLD-HXUWFJFHSA-N 427.457 2.354 0 40 IEAB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)CCCNC(=O)c1ccsc1 32901570 PCXKRLHJBSEWJD-UHFFFAOYSA-N 437.543 2.346 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 34856319 RLXXBWFRAOCDHO-HXUWFJFHSA-N 429.586 2.439 0 40 IEAB CCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 35442913 OAUUWODRDPYAIO-UHFFFAOYSA-N 433.530 2.039 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 36611160 BZRSPBZWUIYJLH-UHFFFAOYSA-N 434.389 2.309 0 40 IEAB CC1CCN(c2ccc(-c3ccc(NC(=O)CCn4ccc(=O)[nH]c4=O)cc3)nn2)CC1 38486329 GSXVWNKLZJNTMG-UHFFFAOYSA-N 434.500 2.259 0 40 IEAB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cccc(OC)c2)c1 57327677 IIKXDQCTYCSJGO-UHFFFAOYSA-N 429.498 2.445 0 40 IEAB O=C(Nc1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 58226572 PNEAUFQUXXBBGZ-UHFFFAOYSA-N 438.550 2.118 0 40 IEAB O=C(NCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1)OCC(F)(F)F 59937249 YIDNPHYQKWQRRY-UHFFFAOYSA-N 447.439 2.121 0 40 IEAB Cc1ccc2c(c1)C(=O)C[C@H]([C@@H]1CCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C1)O2 72396479 YAKQWPDKQFVIBC-DYESRHJHSA-N 434.558 2.239 0 40 IEAB COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3cc(Cl)ccc3C)C2)cc1 89651272 GEIWMFKXUKUUFX-UHFFFAOYSA-N 430.935 2.008 0 40 IEAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)N1CCN(Cc3ccncc3)CC1)C2 90609720 NWYZPSUYOSXBKX-QGZVFWFLSA-N 427.574 2.002 0 40 IEAB CCOC(=O)c1cnn(-c2ccc(C(=O)NC3(C(=O)OCC)CCN(C)CC3)cc2)c1C 95446986 MIGJLPSKHYHVIA-UHFFFAOYSA-N 442.516 2.115 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1C(=O)N1CCCC1 225253286 ZXSIKIIGVIGTCD-OAHLLOKOSA-N 432.498 2.050 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 225599444 JFHBDQNNJDQYBG-UHFFFAOYSA-N 441.550 2.179 0 40 IEAB O=S(=O)(CCCc1ccccc1)N1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 257339616 ZCMWZCJVZONGGW-LJQANCHMSA-N 440.529 2.346 0 40 IEAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1=O 643557453 WFFIWIFUUSMYNL-XMMPIXPASA-N 430.545 2.274 0 40 IEAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O 676653407 ZAIUEMWQEZGVFI-QRQCRPRQSA-N 427.505 2.168 0 40 IEAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(F)c(C)c4)C[C@H]23)n1 1549161219 FVSCADUWCZPYHW-KRWDZBQOSA-N 426.452 2.160 0 40 IEAB Cn1cc(S(=O)(=O)N2CCC(COc3ccc4nc(C(C)(C)C)cn4n3)CC2)cn1 1888910658 LKOMIVVCILCESB-UHFFFAOYSA-N 432.550 2.240 0 40 IEAB COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)c1 932318 ZVRAGZRXDFEQEH-UHFFFAOYSA-N 431.474 2.428 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NC3CCCCC3)CC2)cc1 2264766 WHIBARAFRZZBTF-KRWDZBQOSA-N 435.590 2.349 0 40 IEAB COc1ccc(-n2c(=O)c3ccccc3n(Cc3cc(=O)n4ccccc4n3)c2=O)cc1 2467733 BWKCZGCDIDXTFO-UHFFFAOYSA-N 426.432 2.217 0 40 IEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCCOC(=O)c2cc(F)c(F)cc2Cl)c1 3256538 AMFCEACZNVUFCX-UHFFFAOYSA-N 446.859 2.455 0 40 IEAB O=C(NCCCn1ccnc1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 3279415 FHCQQFKEXDBXSY-UHFFFAOYSA-N 447.344 2.031 0 40 IEAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCCN1C(=O)CSC1=O 3346596 ZLEVVHIBQXLBFD-UHFFFAOYSA-N 443.510 2.431 0 40 IEAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1 3411078 OJUKQGLUERXYPF-UHFFFAOYSA-N 427.248 2.176 0 40 IEAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1cccc(Cl)c1 8990816 MBKSVHHWVWQGEJ-HNNXBMFYSA-N 435.933 2.496 0 40 IEAB O=C(OCn1nnc2ccccc2c1=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9128385 SICJEVPWSNLGNM-UHFFFAOYSA-N 426.860 2.498 0 40 IEAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1nnc(C2CC2)s1 9302526 IHQKNTDEKJPKLF-UHFFFAOYSA-N 447.521 2.344 0 40 IEAB Cc1ccc(CNC(=O)Cn2nnc(C(=O)Nc3ccc(Br)cc3)c2N)cc1 9678098 XNBCEZOKHNXKDY-UHFFFAOYSA-N 443.305 2.500 0 40 IEAB CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)o2)cc1 9707664 ALFATDRXANUAJJ-UHFFFAOYSA-N 440.437 2.046 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(=O)OC)CC2)cc1OCC 12888532 AKLULBRFUBKSKU-UHFFFAOYSA-N 449.529 2.177 0 40 IEAB COc1cc(OC)c2[nH]c(C(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)cc2c1 12906200 PGBWEFHDPLGRNT-IRXDYDNUSA-N 442.560 2.447 0 40 IEAB CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)O 13629164 CEXBUMZOLVUHHY-AWEZNQCLSA-N 440.547 2.429 0 40 IEAB COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1Cl 13690297 HKTQDXZVYIVLHM-LLVKDONJSA-N 444.918 2.462 0 40 IEAB C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O 14162048 ZBSDUOGHJVELMG-LJQANCHMSA-N 435.267 2.498 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 15104021 TWNHDNWEBCWRPQ-UHFFFAOYSA-N 446.451 2.255 0 40 IEAB C[C@@H](OC(=O)CCCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc(N(C)C)cc1 17123373 PPVYGDHXZRJBNB-OAHLLOKOSA-N 430.505 2.268 0 40 IEAB CN1CCO[C@H](c2c(C(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)sc3ccccc23)C1 19696774 ZHMZAKYYWPLQJQ-HNNXBMFYSA-N 442.541 2.061 0 40 IEAB COCCNC(=O)c1ccc(C2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)nc1 19754525 KHDXTDYMIYYURG-UHFFFAOYSA-N 425.533 2.090 0 40 IEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(CC)CC2)C1 19938144 HWHWPTXXMMRMKX-MRXNPFEDSA-N 443.997 2.304 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)c2cccc(Cl)c2)cc1 19999973 ILHDIENJQGPHSP-UHFFFAOYSA-N 437.949 2.318 0 40 IEAB COc1ccc(CCNC(=O)N[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC 20112642 OIOBSHSWPITTCO-JOCHJYFZSA-N 443.500 2.470 0 40 IEAB biogenic COc1cccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)c1 22250110 BFEINYMNKSXCLD-UHFFFAOYSA-N 440.905 2.387 0 40 IEAB Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)N3CCC(C(N)=O)CC3)c2Cl)cc1 22668342 KAIDVWBDAYAGSA-UHFFFAOYSA-N 432.908 2.082 0 40 IEAB CN1[C@@H](CCC(=O)NCc2ccccc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1cccs1 22922964 VMZWOVDYQXXGDY-DWLFOUALSA-N 426.586 2.218 0 40 IEAB biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F)c1ccccc1F 23511058 ZCTNNTRBQFWOBT-UHFFFAOYSA-N 439.484 2.218 0 40 IEAB CSc1ncccc1C(=O)NCCn1ncc2c(=O)n(Cc3cccc(C)c3)cnc21 36653994 BVSSMVQNEGRGJA-UHFFFAOYSA-N 434.525 2.497 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 45367014 SYAJQMSNCWYZCA-DBQOQBPJSA-N 445.523 2.276 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3C)nccn2c1=O 49008610 UTCSVOKJJPGWDF-UHFFFAOYSA-N 433.424 2.417 0 40 IEAB COc1ccc(C)cc1NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O 49409237 HUUAZEQMKXRZMF-UHFFFAOYSA-N 433.530 2.369 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)NCc1ccccc1Cl 49410540 ANQPSLRHNWERPU-UHFFFAOYSA-N 437.949 2.383 0 40 IEAB COc1cccc(CNC(=O)Cn2c(-c3cccc(F)c3)nc(C)c(CCO)c2=O)c1 67316823 BAECBQBKPUQPNF-UHFFFAOYSA-N 425.460 2.218 0 40 IEAB CC1CCC(NC(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 71772470 GUCDIKCBXZZOOE-UHFFFAOYSA-N 446.573 2.266 0 40 IEAB Cc1nnc([C@@H]2CCCN2CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)o1 84291443 HHCLBWMNYHZVKT-INIZCTEOSA-N 441.941 2.447 0 40 IEAB O=C(CNC(=O)C1(OCc2ccccc2)CCOCC1)Nc1ccc(-n2cncn2)cc1 84539444 AMJKYSPQORPDHJ-UHFFFAOYSA-N 435.484 2.088 0 40 IEAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 95458949 KQVZQEXCFGIVDV-KRWDZBQOSA-N 440.953 2.056 0 40 IEAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)c4cccc(S(N)(=O)=O)c4)CC3)n2n1 100159437 NSJZZFQXKFGWDD-IYBDPMFKSA-N 427.530 2.389 0 40 IEAB C[C@]12CC[C@@H](C[C@@H]1C(=O)NCCCN1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 100180137 QRNRQACHRGPSAP-QOYWPIMFSA-N 427.545 2.170 0 40 IEAB O=C(OCc1ccccc1)C1=NN[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 101076311 IXCBXTHFNJSSIN-LSDHHAIUSA-N 428.242 2.010 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]4[C@@H]3Sc3[nH]c(=O)sc3C43CCCCC3)[C@H]2C1=O 101261941 ULJQFMBPPQGCOO-XDWXILOKSA-N 434.539 2.064 0 40 IEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3cccs3)no2)cc1 225228050 SMNGPBWLZGZBMN-UHFFFAOYSA-N 438.556 2.457 0 40 IEAB CCCSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 225664147 GILRSKNUYMIJBQ-UHFFFAOYSA-N 428.561 2.313 0 40 IEAB C[C@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCC[C@H]1C 245228404 VUCWXKAETSTPPV-HLLBOEOZSA-N 435.546 2.132 0 40 IEAB O=S(=O)(c1ccccc1Cl)N1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 257294758 QVPPAGATHHJHBI-OAHLLOKOSA-N 432.893 2.426 0 40 IEAB COC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc(C(=O)OC)c1 408615519 BIHNORSJAGKLPU-UHFFFAOYSA-N 448.497 2.281 0 40 IEAB COc1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC 408703419 FUIRIPSLSLZXDZ-ZDUSSCGKSA-N 436.486 2.268 0 40 IEAB COCCCn1c(C)cc(=O)c([C@@H](CC(=O)OC)c2cc(OC)c(O)c(OC)c2)c1O 1547208781 LZSFFJQQHDXFIK-HNNXBMFYSA-N 435.473 2.317 0 40 IEAB Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@H]1COc2ccccc2O1 3477848 CDGGKLYXDXRFGZ-GOSISDBHSA-N 440.481 2.465 0 40 IEAB O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 8746625 VNLXLVPELITIGL-UHFFFAOYSA-N 449.330 2.472 0 40 IEAB CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 9120149 ZBCQJMMUOPQUBQ-UHFFFAOYSA-N 430.482 2.489 0 40 IEAB COc1ccc(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1OC 9120570 OUAHEEUOBUECMY-ZHACJKMWSA-N 433.482 2.328 0 40 IEAB O=C(O)c1cc(Sc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1Cl 9235624 GEZUHZOLWIOTCE-UHFFFAOYSA-N 437.909 2.048 0 40 IEAB Cc1cc(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c(C)n1-c1nnc[nH]1 9339098 FVASTXAQDGUMHB-UHFFFAOYSA-N 446.558 2.367 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 9575364 UFMVRYSQZUQANH-SFHVURJKSA-N 445.479 2.271 0 40 IEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)C1=O 9646230 BZRFHQIXUXYAOR-SFHVURJKSA-N 437.239 2.044 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O 9670559 CUOPUVSNLHYIOS-UHFFFAOYSA-N 431.452 2.381 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)Nn3cnc4c(cnn4-c4ccccc4)c3=O)CC2=O)cc1 10251343 IRPDLFVKVNXAGC-MRXNPFEDSA-N 428.452 2.014 0 40 IEAB COc1ccc(-c2nnc3n(Cc4cc(C)ccc4C)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10968878 VNABUNIFWKVULM-UHFFFAOYSA-N 444.495 2.422 0 40 IEAB COc1cccc(OCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4C)cnc32)c1 12072152 HUXFFNRYNHYOFJ-UHFFFAOYSA-N 447.495 2.154 0 40 IEAB CCN1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)CC1 12600138 IBSIGHQBUUFFNZ-UHFFFAOYSA-N 431.558 2.363 0 40 IEAB Cc1cccc(N(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)Cc2ccccc2)c1 12780133 VXHCCSUDLFQKSB-HSZRJFAPSA-N 441.597 2.333 0 40 IEAB O=C(Nc1ccn([C@@H]2C[C@@H](O)[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1)c1ccccc1 14960523 ADBLMNPUSHTBKL-GGPKGHCWSA-N 435.436 2.001 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CC1 15563209 RUTFVNGUEWCVJV-UHFFFAOYSA-N 431.514 2.426 0 40 IEAB CCCc1nc2c3ccccc3n(CC(=O)N3CCN(c4ccccc4F)CC3)c(=O)n2n1 15823760 FYOLNNSWILKDOX-UHFFFAOYSA-N 448.502 2.485 0 40 IEAB Nc1nc(SCC(=O)NCc2ccccc2)[nH]c(=O)c1NC(=O)c1ccccc1F 15973818 AYTWMNHMZOPPFD-UHFFFAOYSA-N 427.461 2.152 0 40 IEAB COC(=O)c1cc(CNC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)ccc1OC 18060289 JGWUCGVPTWFDAF-MRXNPFEDSA-N 426.469 2.468 0 40 IEAB CC(C)(C)OC(=O)N1CCc2nnc(C3CCN(C(=O)c4ccccn4)CC3)n2CC1 19754482 DESYJZFWIVXICZ-UHFFFAOYSA-N 426.521 2.486 0 40 IEAB Cc1cccc(N2CCN(C(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)CC2)c1C 20482531 ZAQJEGWBVWOGTH-OAQYLSRUSA-N 429.542 2.179 0 40 IEAB CC[C@@H]1CCCCN1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 22532187 MYUSUXHKAZCNSV-QGZVFWFLSA-N 428.574 2.209 0 40 IEAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 23077576 FMCUKWBFVGRWBB-UHFFFAOYSA-N 427.288 2.255 0 40 IEAB COc1cccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@H]2CCCO2)CSC3)c1OC 23139064 POLZOXRWKQPXBC-CYBMUJFWSA-N 446.529 2.195 0 40 IEAB COc1ccc(OCCN2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 25402010 YKGNZGCKGWQUEV-UHFFFAOYSA-N 448.541 2.242 0 40 IEAB COc1ccc(-c2noc(CCC(=O)Nc3cccc(OCC(N)=O)c3)n2)cc1OC 29206514 DIVWSBGBBWTBMX-UHFFFAOYSA-N 426.429 2.189 0 40 IEAB CCOC(=O)N[C@H](CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1)CC(C)C 31702063 MICDWSQZPFOWAC-KRWDZBQOSA-N 430.505 2.213 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)C1 32903827 SSOLIYWDGZDXDY-JKSUJKDBSA-N 428.576 2.259 0 40 IEAB CCN(CC)c1nc2ccsc2c(=O)n1CCC(=O)N1CCN(c2ccccn2)CC1 33308887 FZVRCPXVTNSOFX-UHFFFAOYSA-N 440.573 2.438 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CN3C(=O)CN(c4ccccc4)C3=O)CC2)c1 40149256 BJOLJRPNCOEMBF-UHFFFAOYSA-N 442.541 2.036 0 40 IEAB O=C(C1=NN(Cc2nc(C3CC3)no2)c2ccccc2S1(=O)=O)N1CCCCCC1 49402600 IBIXLSGLMGCXEP-UHFFFAOYSA-N 429.502 2.457 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCCn3ccnc3)CC2)cc1 58138400 CKSNFGACKCGENU-UHFFFAOYSA-N 433.578 2.287 0 40 IEAB CS(=O)(=O)c1ccc(-c2cnc(CCC(=O)N[C@H](Cc3ccccc3)C(=O)O)o2)cc1 95424037 PBUHBLILJHBHNV-GOSISDBHSA-N 442.493 2.490 0 40 IEAB COc1ccccc1N1CCN(Cc2c(O)c(=O)cc(CN3CCCCC3)n2C)CC1 95476424 PFDGOQFSNQGVDU-UHFFFAOYSA-N 426.561 2.408 0 40 IEAB O=C(N1CCOCC1)[C@]12CCCN(Cc3ccc(F)cc3)C[C@H]1CN(c1ncccn1)C2 96056169 FPWXVQQASPPBAL-RDPSFJRHSA-N 439.535 2.193 0 40 IEAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(C4CCN(C(C)=O)CC4)CC3)C2=O)cc1 105393633 GMPOESXRVKDYRL-NRFANRHFSA-N 441.528 2.076 0 40 IEAB COc1ccccc1N1C(=O)[C@@H]2SC(N)=C3C(=O)Oc4c(OC)cccc4[C@@H]3[C@@H]2C1=O 107166648 PBGGRYKGHUOGTD-RVKKMQEKSA-N 438.461 2.182 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[nH]c(=O)c21 223055245 GDPLMALTWYNNLQ-KGLIPLIRSA-N 425.489 2.388 0 40 IEAB CC1(C)NC(=O)N(CC(=O)N2CCO[C@H](c3cccc(-c4c(F)cccc4F)n3)C2)C1=O 257204770 AWFIVWHUGLKTPW-KRWDZBQOSA-N 444.438 2.257 0 40 IEAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1cc[nH]n1 257219461 DGWKTOBMQBLQRG-LUKWVAJMSA-N 436.487 2.286 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)CCn4nccc4C)CCO3)c2)cn1 257251104 JPJYTOHJGACMKN-QFIPXVFZSA-N 448.527 2.307 0 40 IEAB CN(Cc1ccccn1)C(=O)c1nc([C@H]2CCCN(S(C)(=O)=O)C2)n2ccccc12 306131981 KUSNTORNACLLHA-INIZCTEOSA-N 427.530 2.141 0 40 IEAB COC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O 408549806 ZLAQNAFDKFCHRT-WOJGMQOQSA-N 432.436 2.346 0 40 IEAB Cc1cc(C)nc(O[C@@H]2CCCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)C2)n1 585147264 LBIMPPVHKWAOQC-GOSISDBHSA-N 442.541 2.161 0 40 IEAB COc1ccc(CN(C)C[C@@]2(O)CCN(Cc3ccc(OCCOCCO)cc3)C2)cc1 585269951 QWTWSALFFQAFQO-VWLOTQADSA-N 444.572 2.152 0 40 IEAB CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccc(OC)c1 4295910 DYIYRIDWDIGJBA-UHFFFAOYSA-N 447.542 2.352 0 40 IEAB COc1cc2cc(CN(CCCO)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1OC 8674168 MKVDPYYJPSFPTG-UHFFFAOYSA-N 432.498 2.119 0 40 IEAB COc1cccc(C(c2c(O)cc(C)n(C)c2=O)c2c(O)cc(C)n(C)c2=O)c1OC 9341947 HPZUSGXGZCSUQO-UHFFFAOYSA-N 426.469 2.309 0 40 IEAB COc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1S(=O)(=O)N1CCOCC1 9442826 OCQWYALNONAHLB-NTEUORMPSA-N 438.527 2.129 0 40 IEAB Cc1nn(C)c(C)c1CNC(=O)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 9575634 MFASYOQLRPUJNW-UHFFFAOYSA-N 433.512 2.264 0 40 IEAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)NN1C(=O)NC2(CCCCC2)C1=O 9713851 VLSICMNWQGPGCC-KRWDZBQOSA-N 442.516 2.271 0 40 IEAB CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(C(=O)OC)Nc3nnnn32)cc1 10232319 BGHIFPKBSWKKGX-LJQANCHMSA-N 435.440 2.405 0 40 IEAB O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)Nc1ccc2c(c1)OCCO2 11695872 XXMUKBXINHGFEE-UHFFFAOYSA-N 425.485 2.414 0 40 IEAB O=C(CCc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12784885 RYPYBTQLQBIKTH-UHFFFAOYSA-N 430.526 2.314 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCC4=O)cc3)C2=O)cc1 12902273 LQWQROGAULAAMH-HSZRJFAPSA-N 436.468 2.228 0 40 IEAB CC(C)CCN(C(=O)CN1CCCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13061010 KCDIWDDKJUTTIK-UHFFFAOYSA-N 441.576 2.422 0 40 IEAB CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccncc1 13148697 YMJXVMBVHRXYSN-UHFFFAOYSA-N 426.502 2.030 0 40 IEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1cccc(Br)c1 14187995 DGMXCSJIIYCAIB-JLTOFOAXSA-N 447.285 2.419 0 40 IEAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)[C@@H](C)Oc3cccc(F)c3)nc2C1 19078752 GZUMASOVXZIVRG-YJYMSZOUSA-N 428.464 2.357 0 40 IEAB Cc1csc(C(=O)N2CCC(c3cc(C(=O)N4CCC[C@H](C(N)=O)C4)on3)CC2)c1 19124489 FYAKPDKXVIBJER-HNNXBMFYSA-N 430.530 2.402 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2nc(Cc3cccs3)no2)C1 19343824 JVGWVRGDRZXVPS-QGZVFWFLSA-N 449.510 2.255 0 40 IEAB CC(C)c1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 19463459 PBMKZUGBXKALJQ-RDJZCZTQSA-N 429.546 2.151 0 40 IEAB Cc1c(C(=O)N2CCC(O)(Cn3ncc4ccc(NC(=O)C(C)C)cc43)CC2)cnn1C 19553178 JLROPCNQAOHPRX-UHFFFAOYSA-N 438.532 2.340 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)c3cnn(C)c3C)CCO2)c1 19692798 ZYEBCCQWYSZIKM-FQEVSTJZSA-N 436.516 2.474 0 40 IEAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)c3cc(C4CC4)on3)cc2)[C@@H](C(=O)N(C)C)C1 19699197 KGWDOSATXJTRPS-UXHICEINSA-N 438.528 2.474 0 40 IEAB CC(=O)N1CCC[C@H](c2nc(CN(C)C(=O)COc3ccc(F)cc3)cc(N(C)C)n2)C1 19709722 MLDXLIFSJDSWTG-KRWDZBQOSA-N 443.523 2.445 0 40 IEAB COc1ccc(N2C[C@H](C(=O)NCC3(N4CCN(C)CC4)CCCCC3)CC2=O)cc1 20412657 WIWLLUFYHUNETH-LJQANCHMSA-N 428.577 2.115 0 40 IEAB NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 20486968 JRUGGCUAJYHVJE-SFHVURJKSA-N 429.542 2.399 0 40 IEAB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)C(=O)NCCc1c[nH]c2ccccc12 20744288 DCCJQAUJYKVJBP-UHFFFAOYSA-N 440.525 2.314 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24681968 XYIUZKWDMJNENC-AWEZNQCLSA-N 428.441 2.110 0 40 IEAB NC(=O)C1CCN(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 25523332 LMBZOTFXZDHIRJ-UHFFFAOYSA-N 431.540 2.412 0 40 IEAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cccc(OC(F)(F)F)c2)c1 31076284 LGIIJQHFCNBTLI-UHFFFAOYSA-N 445.419 2.322 0 40 IEAB CCN(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1nc2ccccc2c(=O)[nH]1 35343838 PUIFEFWJQVUEAP-UHFFFAOYSA-N 435.528 2.425 0 40 IEAB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38854445 ZHVMNVDCJZENEL-IBGZPJMESA-N 431.514 2.381 0 40 IEAB COc1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1N1CCCCS1(=O)=O 40287928 KRANNRJWPZHSQN-HNNXBMFYSA-N 431.514 2.441 0 40 IEAB CSCC[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nnc2ccccn12 96117460 VBMZETIPVAAYTO-KRWDZBQOSA-N 426.546 2.166 0 40 IEAB O=C1N[C@](Nc2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1CCC1=CN[C@H]2C=CC=C[C@H]12 101675971 OYISWBUZQIPFQV-IGCXYCKISA-N 440.813 2.340 0 40 IEAB CCc1cccc2c1NC(=O)[C@@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 105348847 FIWJEROXCFEZOZ-UEHPCVTFSA-N 425.529 2.073 0 40 IEAB Cc1c(NC(=O)[C@@H](c2ccccc2)N(C)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 223605717 AMHZIRKCFWBVON-LJQANCHMSA-N 428.514 2.056 0 40 IEAB Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 224025912 KOZVUKVHHMJSNP-UHFFFAOYSA-N 438.933 2.478 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[C@H](c4ccc5c(N)n[nH]c5n4)C3)ccc21 257202119 AKOIXSDQUFFFNQ-HNNXBMFYSA-N 440.529 2.017 0 40 IEAB CC(C)c1nc2ccccc2n1CC(=O)N1CC[C@@](C)(O)[C@H](n2cnc3c(N)ncnc32)C1 257312331 UNKZNESPWGDOJU-UZUQRXQVSA-N 448.531 2.106 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(=O)c4cccc(C)n4)C[C@@H]2C3)cc1 306132974 LXVSFFUNHZVWSI-JKSUJKDBSA-N 432.484 2.187 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408702237 AISBDKWKRULMJN-CQSZACIVSA-N 448.497 2.428 0 40 IEAB COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 409009505 AOGZDTDTZURUPT-YDRQLGOLSA-N 439.424 2.079 0 40 IEAB COC(=O)c1cccc([C@H](C(=O)OC)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 553977972 VQTDYJWDXRUFFW-KGVIQGDOSA-N 438.480 2.196 0 40 IEAB O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCc1noc(-c2ccc(Cl)cc2)n1 604405829 WGNMBPXOPZIXMA-OAHLLOKOSA-N 425.832 2.147 0 40 IEAB biogenic CCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 2055867 KGGZOICPRXFAGF-CYBMUJFWSA-N 438.937 2.409 0 40 IEAB biogenic C[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)NC1CCCC1 3518607 OJRGXHHIBWKKBM-HNNXBMFYSA-N 437.562 2.141 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 3566419 VCYVTYWAUIASMX-UHFFFAOYSA-N 428.470 2.486 0 40 IEAB COc1ccc([C@@H](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)N2CCCCC2)cc1 8392004 JXFOXHVOVTVHMY-LJQANCHMSA-N 428.533 2.203 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 9430184 QQHOARSWSMHVFF-QTNMRXCUSA-N 442.946 2.412 0 40 IEAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9535976 QXYPMKUUEQLGGD-GOSISDBHSA-N 437.468 2.215 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H]2COc3ccccc3O2)c1 9539537 MGMYFQQEFNSJHT-LJQANCHMSA-N 448.497 2.039 0 40 IEAB COCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)NC2(CCCCC2)C1=O 9768021 REVMRQPXJNSQLO-UHFFFAOYSA-N 447.517 2.028 0 40 IEAB Cn1cc(C(=O)Nc2ccc(C(N)=O)cc2)c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 9820219 PKVWBVDGQPASMX-UHFFFAOYSA-N 437.843 2.022 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 9883588 BJIPOAZXVAGGAE-CQSZACIVSA-N 432.498 2.206 0 40 IEAB CCn1c(CCC(=O)Nc2ccc(OC)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21 10741164 XHJJHAFIGCPZAN-UHFFFAOYSA-N 431.518 2.281 0 40 IEAB CN(CCc1ccccc1)C(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086621 FETYHEIGXZJIFB-VWLOTQADSA-N 435.524 2.261 0 40 IEAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 12229932 VYNXQTJIYDWRSW-UHFFFAOYSA-N 441.488 2.133 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 12927941 SNOWSNQZUJBMHE-UHFFFAOYSA-N 432.498 2.003 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C[C@@H](C)O1 13138337 OYDROWPRTKTCBH-GASCZTMLSA-N 432.498 2.143 0 40 IEAB Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)n(C)n1 13614993 ONGIJIGKOFLGBK-LBPRGKRZSA-N 436.519 2.022 0 40 IEAB NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(Br)cc1 15303590 QROYRACHSDQSTA-UHFFFAOYSA-N 441.303 2.361 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)NCCN(C(C)C)C(C)C 19079450 HSQLHHUSCYSFCZ-QGZVFWFLSA-N 441.623 2.229 0 40 IEAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccco3)CC1)O2 19219056 YHEPMSJCLIEOER-HJPURHCSSA-N 425.485 2.166 0 40 IEAB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)c1C 20614335 CAVVPYXXDWVHDB-HXUWFJFHSA-N 438.528 2.076 0 40 IEAB C[C@H](OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)C(=O)Nc1ccc(C(F)(F)F)cc1 21138554 PDOLDXPASLEZJQ-XTZNXHDOSA-N 427.379 2.296 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1 22247634 JURQBDVJFYORMY-CTNGQTDRSA-N 432.542 2.270 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)N2CCN(CCC(=O)N3CCc4ccccc43)CC2)c1 25025528 GGDRQSWLUUYONG-UHFFFAOYSA-N 441.553 2.175 0 40 IEAB O=C(c1cc(-n2cnnn2)ccc1Br)N1CCN(Cc2ccccc2)CC1 32501648 GXLGDRCJYPVTAD-UHFFFAOYSA-N 427.306 2.383 0 40 IEAB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1OS(C)(=O)=O 33887274 ZJMIEUPFNRSPRT-DHDCSXOGSA-N 436.898 2.457 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1SCC(=O)N1CCN(CC(=O)NC2CC2)CC1 36389535 NWKMKUBXRZOWHM-UHFFFAOYSA-N 427.574 2.004 0 40 IEAB C[C@H](CCc1ccccc1)NC(=O)Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O 40478215 JEHLWSJLRPMQKI-MRXNPFEDSA-N 434.475 2.313 0 40 IEAB COC(=O)C[C@@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(OC)c(OC)c1 48312917 KTHPFTGECVKZMV-ZWKOTPCHSA-N 447.532 2.352 0 40 IEAB COc1ccccc1[C@H](O)Cn1cc(C(=O)N2CCN(c3ccccc3F)CC2)nn1 77197230 MTZCOWMEAXMRGP-HXUWFJFHSA-N 425.464 2.122 0 40 IEAB COc1nn(C)c2nc(C)c(CCC(=O)N3CCC[C@@H](C(=O)NCC4CC4)C3)c(C)c12 84019739 LKRZEFSYGFJHLI-QGZVFWFLSA-N 427.549 2.291 0 40 IEAB C[C@H]1NC(C(=O)N(CCCN2CCOCC2)c2ccccc2)=NN(c2ccccc2)C1=O 89919819 RUXHLLTXECSPHX-LJQANCHMSA-N 435.528 2.080 0 40 IEAB Cc1cc(Cl)c2c(c1)[C@@]1(N[C@@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 105349258 AGIHIDZNRIRCTO-RABSLMHOSA-N 445.947 2.472 0 40 IEAB COc1ccc(-c2nnc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)s2)cc1 223129145 HJLVXRZRVVFGMZ-MRXNPFEDSA-N 446.510 2.379 0 40 IEAB COc1ccc(N(CCCC(=O)NCCOc2ccccc2OC)S(C)(=O)=O)cc1 224694920 FRTDWRSHBHOZAK-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB CCOc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1OC 225564357 FJEMNVPMIYDTEM-UHFFFAOYSA-N 434.514 2.045 0 40 IEAB O=C(c1cc2n(n1)CCCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 225604135 JSSMAOYLMBRZLT-UHFFFAOYSA-N 428.558 2.245 0 40 IEAB COc1cccc(-c2cc(C(=O)NCc3nnc4cc(-c5nc(C)no5)ccn34)[nH]n2)c1 225746213 FZNJXEOOEXLCFD-UHFFFAOYSA-N 430.428 2.416 0 40 IEAB CCN1CCN(C(=O)CCc2nc(-c3ccc(I)cc3)no2)CC1 225840091 FLJMNSRKRCVXGJ-UHFFFAOYSA-N 440.285 2.438 0 40 IEAB COc1cccc(N2CCN(C3CCN(C(=O)c4cnn5c4OCCC5)CC3)CC2)c1 245026636 NEFALRCMBASEBN-UHFFFAOYSA-N 425.533 2.101 0 40 IEAB Cn1c(=O)oc2cc(NC(=O)CN3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)ccc21 257296704 REAKHLBQPPSAOW-UGKGYDQZSA-N 429.448 2.113 0 40 IEAB Cc1nc(CN2CC[C@]3(CN(C(=O)c4ccncc4)C[C@H]3c3cn(C)cn3)C2=O)cs1 306131651 KLBRGZNEXJVJRS-PGRDOPGGSA-N 436.541 2.239 0 40 IEAB Cc1cnc(OC2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)nc1 1144167221 PTPSCSUCBVDGLW-UHFFFAOYSA-N 430.530 2.253 0 40 IEAB C[C@H]1C[C@H](c2ccccc2)C[C@H](NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)C1 1561648885 WJDXTTAVFGPBTC-CWRNSKLLSA-N 428.514 2.285 0 40 IEAB CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 1615549967 UEQKFTWDMFMIKI-CRAIPNDOSA-N 446.479 2.044 0 40 IEAB O=c1cc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc2sccn12 3350092 KPYKHZOYHMRLMH-UHFFFAOYSA-N 440.550 2.416 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)c1C 3426139 QSEAKFYSBIYVLB-AWEZNQCLSA-N 428.441 2.206 0 40 IEAB Cn1cccc1C(=O)NC(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl 3428351 SJKARDIFIBHKMX-UHFFFAOYSA-N 433.873 2.123 0 40 IEAB CN(C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC[C@H]1CCCO1 6198469 MEDWKEKITUFCQC-QGZVFWFLSA-N 446.573 2.064 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(C5CCCC5)C(=O)[C@H]24)O3)cc1OC 9184109 NBQLYEOLRJHBAE-KDNSLJGTSA-N 426.513 2.087 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c1 9495214 BTXWQSAPLVOQIK-GOSISDBHSA-N 449.916 2.497 0 40 IEAB COc1cccc(Nc2nnc(SCC(=O)NCCN3C(=O)CSC3=O)s2)c1 9508422 KRUXMUYCGIFMAM-UHFFFAOYSA-N 439.544 2.194 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)C1 10256973 GWQZYHOTANWXSN-KRWDZBQOSA-N 439.512 2.248 0 40 IEAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2=O)cc1 11010234 RVYXBTGQWUWOHE-QFIPXVFZSA-N 443.525 2.448 0 40 IEAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1 11212222 QEOHPQXLMYHGLI-FZKQIMNGSA-N 435.546 2.297 0 40 IEAB CC(=O)N1CC2(CCN(C(=O)CCCC(=O)Nc3nncs3)CC2)Nc2ccccc21 12086156 KEVPMYZZOAYLGX-UHFFFAOYSA-N 442.545 2.487 0 40 IEAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)N[C@H]1CCCc2ccccc21 13555745 LPXQJURPLCWKKR-KNBMTAEXSA-N 449.507 2.467 0 40 IEAB COc1cccc(C(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)c1 19449978 PFUVFLQRKNBRQA-WOJBJXKFSA-N 437.544 2.466 0 40 IEAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1 19519924 RKCFDFZEOUUCNC-JOCHJYFZSA-N 446.511 2.383 0 40 IEAB CN(C[C@H](O)c1ccccc1)C(=O)CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 19585964 OEJWNQLSOYRQPE-QFIPXVFZSA-N 438.572 2.341 0 40 IEAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3cccc(F)c3)CC1)C2=O 19699371 CROLALFKIDILSQ-UHFFFAOYSA-N 430.524 2.359 0 40 IEAB CCCc1nnsc1C(=O)N1CCC[C@@H]1c1ccc(C(=O)N2CCN(C)CC2)cn1 19708696 OVYHGORHWJHOJQ-GOSISDBHSA-N 428.562 2.251 0 40 IEAB O=C(c1cccnc1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1 19709371 DYMFIIHPZWMQIH-MRXNPFEDSA-N 433.505 2.261 0 40 IEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(=O)n(CC(=O)N2CCc3ccccc32)c1 19749282 LJKXZBVBCCALRQ-INIZCTEOSA-N 447.539 2.149 0 40 IEAB COc1ccc(OCC(=O)N2CCC[C@@H]2c2ncc(C(=O)N3CCOCC3)c(C)n2)cc1 19755740 JVYVGQQJGWRAKR-HXUWFJFHSA-N 440.500 2.009 0 40 IEAB COc1ccc(C)cc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(C)(=O)=O 20457699 FRXWYUQBNCQZMD-UHFFFAOYSA-N 428.514 2.272 0 40 IEAB CCOC(=O)c1ccc(OC[C@H](O)CSc2ccc(S(=O)(=O)N(C)C)cn2)cc1 22133180 WUEMTUVCHOOLSP-HNNXBMFYSA-N 440.543 2.041 0 40 IEAB O=C(Cc1cc(O)nc(SCc2ccccc2F)n1)N1CCN(c2ncccn2)CC1 23138383 KOCWBRDJQFQPGM-UHFFFAOYSA-N 440.504 2.295 0 40 IEAB CCOc1ccc2nc(NC(=O)CN3CCN(CC(=O)N4CCCCC4)CC3)sc2c1 23254005 RDNKINYUKBCVOQ-UHFFFAOYSA-N 445.589 2.264 0 40 IEAB O=C(Nc1ccccc1)c1c(O)n(-c2ccccc2)n[n+]1C[C@@H](O)CN1CCCCCC1 25182968 MYEKXWBHWLMSEX-NRFANRHFSA-O 436.536 2.355 0 40 IEAB CC(C)(COC[C@H](O)CNCc1ccccc1)COC[C@H](O)CNCc1ccccc1 26897818 MGRVCATYPCDQCG-DNQXCXABSA-N 430.589 2.347 0 40 IEAB CC(C)NC(=O)Cn1nc(-c2ccc(F)cc2)c2sc(N3CCOCC3)nc2c1=O 36685840 NBWHZPBTDQVWTD-UHFFFAOYSA-N 431.493 2.020 0 40 IEAB CCOc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)cc1 40478062 TXQOGENXHPMOPU-UHFFFAOYSA-N 440.410 2.352 0 40 IEAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1cccc(CN2CCCC2=O)c1 48301303 GLPUAVWCIYDCPB-UHFFFAOYSA-N 442.541 2.323 0 40 IEAB O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)Nc1ccc(-n2cnnn2)cc1 49028971 SKJCUNRTHTVDSG-UHFFFAOYSA-N 447.484 2.438 0 40 IEAB COc1cccc(C2=NC3(CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)NC2=O)c1 64965735 IFQTXEWHYGPMRQ-UHFFFAOYSA-N 433.917 2.449 0 40 IEAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccc(CC)cc1 67286530 BALTZAMZXXTOMR-HXUWFJFHSA-N 429.517 2.259 0 40 IEAB O=C(Cn1nnc2ccccc21)Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1 77100911 WFEWLHQJLQEPID-UHFFFAOYSA-N 428.500 2.182 0 40 IEAB COc1ccc(C(=O)O[C@H](C)C(=O)NC2CC2)cc1S(=O)(=O)N(C)Cc1ccccc1 79182865 ZVFPBDFHUDHIFQ-OAHLLOKOSA-N 446.525 2.340 0 40 IEAB COc1ccccc1OCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1 95116453 DMXQVRPJZGRZBT-UHFFFAOYSA-N 438.465 2.403 0 40 IEAB Cc1ccccc1C(=O)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 97943483 NZLOWPRQGPWICZ-OAQYLSRUSA-N 431.496 2.456 0 40 IEAB O=C(C1CC1)N1CCc2nc3cc(C4CCN(CC5=CCCOC5)CC4)nn3c(O)c2C1 100232598 INGZCDUJYQWOED-UHFFFAOYSA-N 437.544 2.256 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C)C(=O)O)CC1 100771092 KIDORVQUOANXCJ-ALYAQQCSSA-N 441.569 2.438 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c1 223676857 DDFTYYZHLGVNMI-UHFFFAOYSA-N 444.531 2.200 0 40 IEAB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 223789080 LZYVQEPJAYPORN-UHFFFAOYSA-N 442.541 2.002 0 40 IEAB Cc1cc(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)ccc1N1CCCC1=O 224735855 IZDKWXHKDNGPEY-UHFFFAOYSA-N 443.569 2.433 0 40 IEAB COc1cccc(N(CCCC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)c1 225276555 FDLIKJSBRPOIBR-GOSISDBHSA-N 434.514 2.198 0 40 IEAB Cc1c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c(=O)n(-c2ccccc2)n1C 225673599 CPSZQIXLMBNLFC-UHFFFAOYSA-N 430.511 2.199 0 40 IEAB O=C(NC[C@](O)(c1ccco1)c1cccs1)C(=O)Nc1cccc(N2CCCC2=O)c1 238839268 HLUDDPSQWCJJJX-QFIPXVFZSA-N 439.493 2.459 0 40 IEAB COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2C=C[C@]13[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@@]2(C)O5 253505124 QCYVGCPBTZGMEM-RHLSYRFBSA-N 439.508 2.109 0 40 IEAB biogenic,in-vitro CCN(C(=O)c1c[nH]nc1C1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 257339593 ZCKNNUOAGYXDDY-UHFFFAOYSA-N 425.533 2.115 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)cc1 390830862 NXZNCBGXXSZMDC-IBGZPJMESA-N 440.518 2.335 0 40 IEAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)cc1 408660790 VHZCFEJLFRWUQC-QGZVFWFLSA-N 438.436 2.211 0 40 IEAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)cc1 408661514 WEDBSWDEIYWBEU-MRXNPFEDSA-N 440.452 2.407 0 40 IEAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(N(C)C)o3)c2=O)=N1 409040939 VFCXAJAOGOWIKW-QUHSPFQSSA-N 437.521 2.457 0 40 IEAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@]45[C@H]6C(=O)[C@H]7[C@H]8C[C@@H]([C@@H]74)[C@@H]5[C@H]86)CC3)cc2NC1=O 503357394 UGTOIOWXOJUHKP-RLLLFRGQSA-N 446.503 2.154 0 40 IEAB Cn1cc(-c2cnc(OC3CCN(C(=O)[C@H]4CC(=O)N(c5ccccc5)C4)CC3)nc2)cn1 1889251454 NDAYBMTVFQJCNL-KRWDZBQOSA-N 446.511 2.300 0 40 IEAB CCN(CC)C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C 931283 XBVXNDAEAXNNSG-UHFFFAOYSA-N 437.591 2.227 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)c1 2654212 QDLXKXMZUOKOOM-UHFFFAOYSA-N 432.285 2.400 0 40 IEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3449489 ICJAHQPRTXAVJZ-UHFFFAOYSA-N 431.433 2.292 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 3590992 YLKNIYVDKOJEKL-UHFFFAOYSA-N 433.317 2.219 0 40 IEAB O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccccc1N1CCCC1=O 8733743 PFNPDSFPARIXQI-UHFFFAOYSA-N 449.554 2.077 0 40 IEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)/C=C/c2ccc3ccccc3n2)C1=O 8825074 UQFLIFUEWFPKJP-XXFRDUSWSA-N 444.447 2.290 0 40 IEAB O=C(NCCCn1ccnc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 9130001 TTZBJATVALAXOS-GOSISDBHSA-N 430.555 2.267 0 40 IEAB COc1ccc(OC)c(NC(=O)Cn2c(CC(=O)N3CCOCC3)nc3ccccc32)c1 9492584 INTBBSVXCIVIAT-UHFFFAOYSA-N 438.484 2.094 0 40 IEAB COc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3F)c(=O)[nH]2)cc1 9518089 GHIOSNIYTQFRRM-UHFFFAOYSA-N 443.460 2.483 0 40 IEAB COc1ccc(CC(=O)Nc2cc(F)ccc2F)cc1S(=O)(=O)N1CCOCC1 9633161 JYJZZQGTPGYBQR-UHFFFAOYSA-N 426.441 2.176 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4c(C)cccc4C)[C@H]3C2=O)cc1OC 9675615 OIARBKWZGGVYJN-WOJBJXKFSA-N 437.456 2.253 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)NCc2ccccc2C)c1 9807477 OBHWEWVFLLBJOB-HXUWFJFHSA-N 443.569 2.198 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)CC1 9883819 UQMMZGJYMSFEMH-UHFFFAOYSA-N 443.323 2.499 0 40 IEAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(OC)c3OC)nc21 10188013 GMNYAQSWWYVAMW-UHFFFAOYSA-N 435.440 2.291 0 40 IEAB O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031540 GLLRMIPJDUJMSP-GFCCVEGCSA-N 433.429 2.317 0 40 IEAB COc1ccc(OC)c(/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 12773751 QODFWXXCOMCNOT-DHZHZOJOSA-N 430.526 2.391 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1n[nH]c(=O)n1C[C@@H]1CCCO1 14021333 PZLMHHSRVSGXKL-INIZCTEOSA-N 428.518 2.284 0 40 IEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 16050723 CKADXWAFHBEMDA-UHFFFAOYSA-N 431.901 2.328 0 40 IEAB O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)[C@@H]3CCCO3)[nH]c(=O)c2C1 19014594 SYIIXNQTWCAXGS-UXHICEINSA-N 442.560 2.468 0 40 IEAB Cc1ncc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)c(-c2ccccn2)n1 19287097 FRGRADVVXWAENG-UHFFFAOYSA-N 429.546 2.260 0 40 IEAB CCN1CCN([C@@H](c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19527939 CEEVVRUGUBHYAM-NRFANRHFSA-N 437.548 2.365 0 40 IEAB COc1ccc(CC(=O)N2CCC(c3cc(=O)[nH]c(-c4cnccn4)n3)CC2)cc1OC 19560373 QOCFENCHVVJDAS-UHFFFAOYSA-N 435.484 2.193 0 40 IEAB Cc1cc(C)n(CCCC(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)n1 19574004 IKMNWNZWKRFKKN-UHFFFAOYSA-N 437.548 2.384 0 40 IEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCCN2CC(=O)N(C)C)cc1 19766910 LWTJEAADQMUJDA-HXUWFJFHSA-N 425.533 2.339 0 40 IEAB COc1cccc(C(=O)c2cnc3sc(C(=O)NCCN4CCOCC4)c(C)n23)c1 20573034 HFZOFSQWOIEPSR-UHFFFAOYSA-N 428.514 2.006 0 40 IEAB COc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 20745618 DDYUTIKTAPDSQQ-INIZCTEOSA-N 425.460 2.172 0 40 IEAB CCOc1ccc(NC(=O)Cn2cnc3nc(N4CCN(CC)CC4)sc3c2=O)cc1 21886404 LFVVKWSYMMTPOM-UHFFFAOYSA-N 442.545 2.032 0 40 IEAB Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)N[C@@H](C)CN1CCOCC1 22485717 SVSNFYWJYQZKLC-GXSJLCMTSA-N 427.265 2.371 0 40 IEAB COc1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc2c1OCCO2 22633636 IDUQJSUDRRLLRQ-BQYQJAHWSA-N 444.509 2.013 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 23703104 HDXXEWWZLABKEM-UHFFFAOYSA-N 437.606 2.482 0 40 IEAB COC(=O)c1csc(S(=O)(=O)N2CCN(CCOc3ccccc3F)CC2)c1 29155530 FMKZZCBUMHXFTO-UHFFFAOYSA-N 428.507 2.059 0 40 IEAB O=C(Cc1noc(CN2CCN(CCOc3ccccc3)CC2)n1)NCc1ccccc1 29702258 APDUKCYKHBSAAB-UHFFFAOYSA-N 435.528 2.125 0 40 IEAB CSc1nc(C)c(CCC(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c(=O)[nH]1 29915428 MQWIVZATRNIRKT-UHFFFAOYSA-N 442.463 2.298 0 40 IEAB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1C(N)=O)O2 30946388 FGPMYNIVNHLLSI-SFHVURJKSA-N 431.514 2.249 0 40 IEAB CCNC(=O)c1cccc(NC(=O)COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)c1 32745295 JDWMAXSFJYSPIA-UHFFFAOYSA-N 428.470 2.147 0 40 IEAB COc1cc(OC)c2cc(C(=O)NCc3cccnc3N3CCOCC3)[nH]c2c1OC 33017471 FYVRIHXUINYZDY-UHFFFAOYSA-N 426.473 2.355 0 40 IEAB O=C(CCOc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(Cc3ccccn3)CC2)C1 59893763 OHDSVJGGFVTYFD-OAQYLSRUSA-N 436.556 2.434 0 40 IEAB COc1ccc2nc(NC(=O)CN3[C@H]4CC[C@@H]3CC(O)(c3nccn3C)C4)sc2c1 72334591 ZDLSUAZAZCZYPX-UDQVXKKJSA-N 427.530 2.492 0 40 IEAB COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(CN3CCSCC3)n1C)CC2 79194120 KQFPBKJKKKAJMJ-UHFFFAOYSA-N 445.585 2.215 0 40 IEAB biogenic CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2sccc2C(=O)OC)c(OC)c1 95447986 MHCUGIPODFKYGB-UHFFFAOYSA-N 448.544 2.496 0 40 IEAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 108848554 PSAVKVASRZKACH-VPZZIHKRSA-N 447.454 2.220 0 40 IEAB COc1cccc(N([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 220162946 VFVJMBYMUULNCX-HNNXBMFYSA-N 436.530 2.226 0 40 IEAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223475982 AGWUMJPDIIABBM-LJQANCHMSA-N 449.548 2.188 0 40 IEAB COc1ccc(OCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1 224187803 NLUUOZJLWRMQCM-UHFFFAOYSA-N 435.546 2.120 0 40 IEAB Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CO[C@H]21)CN(C(=O)CCn1nc(O)ccc1=O)C3 257253232 JYBKOJJPQLXQOJ-HTAPYJJXSA-N 439.512 2.425 0 40 IEAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1094027 GKYTZWKSARUPMR-UHFFFAOYSA-N 430.511 2.478 0 40 IEAB O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(Cl)c2)CC1 2952199 LPWIXEPKPVSXCM-UHFFFAOYSA-N 426.904 2.472 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 3288477 OHGSMZSMRWEHAT-UHFFFAOYSA-N 448.497 2.284 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)NCc3ccccc3)CC2)cc1 6499002 XIVAIIMMDRPVHD-SFHVURJKSA-N 443.569 2.217 0 40 IEAB O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 8299836 ZSTBMXUYQXDYKA-SXLOBPIMSA-N 427.524 2.206 0 40 IEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccccc3)CC2)cc1 8762673 VZOCNYCTPSXDRF-UHFFFAOYSA-N 426.498 2.232 0 40 IEAB O=C(Cc1cn2ccsc2n1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 9157024 DUORSUHGBVESFU-UHFFFAOYSA-N 444.582 2.350 0 40 IEAB C[C@@H]1CCCc2sc3c(c21)-c1ncnn1-c1nnc(SCC(=O)N2CCOCC2)n1-3 9307884 BVTPHVHGSMOOGT-LLVKDONJSA-N 443.558 2.281 0 40 IEAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)Cn1c(=O)cnc2ccccc21 9875574 ZGHDCPJHNPTNMU-UHFFFAOYSA-N 434.374 2.392 0 40 IEAB Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c2c(=O)n(C)c(=O)n(C)c2n1 11758048 AGMJAKNTYPSDJH-UHFFFAOYSA-N 440.312 2.373 0 40 IEAB O=C(NCCn1ncc2c(=O)n(Cc3ccc(Br)cc3)cnc21)c1ccco1 12071356 NXCWHRKMHYXFJB-UHFFFAOYSA-N 442.273 2.427 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@@H](n4nnc5cc(F)ccc54)C3)ccc21 12184841 WNSZHPUTFCWMDL-QGZVFWFLSA-N 443.504 2.370 0 40 IEAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(Br)c1 12602146 GIFDSKVGYUTHNM-CHWSQXEVSA-N 437.290 2.414 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 12857589 QTDJWGGZCLAGOV-KRWDZBQOSA-N 425.576 2.234 0 40 IEAB C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@@H]12 12897412 OACAZKAYRUIRND-VTQMLYMZSA-N 425.466 2.175 0 40 IEAB biogenic COc1cccc(-n2cnn(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2=S)c1 13063569 LVXPYCGPXGUYGB-UHFFFAOYSA-N 445.570 2.376 0 40 IEAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)cc2NC1=O 13120953 BBOQEHLTPSUFLR-BBRMVZONSA-N 445.497 2.116 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)c3ccccc3F)[nH]c2=O)C1 19347541 SKZWZABEMWZBJV-FQEVSTJZSA-N 447.470 2.480 0 40 IEAB O=C(c1ccncc1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699336 SBJSILPBZIUZHO-NRFANRHFSA-N 447.539 2.273 0 40 IEAB CN(CC(=O)N1Cc2cn(C)nc2[C@H](C(=O)Nc2nccs2)C1)Cc1ccc(F)cc1 19701390 RTQZMHOZDXPSEQ-QGZVFWFLSA-N 442.520 2.212 0 40 IEAB CNc1cc(CN(C)C)nc([C@H]2CCCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 19709762 VJKPEHKEIXUMRD-QGZVFWFLSA-N 447.561 2.267 0 40 IEAB O=C(O)/C=C/C(=O)N(C[C@H]1CCCO1)[C@@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O 19948129 CSEXFXUVFPQNRI-OZQHNXSNSA-N 441.267 2.274 0 40 IEAB O=C(OCn1nnc2ccccc2c1=O)c1ccccc1-n1ncc(Cl)c(Cl)c1=O 21739113 FMXRICXKGSDVEV-UHFFFAOYSA-N 444.234 2.459 0 40 IEAB CCc1c(C)sc2c1c1nc(-c3ccco3)nn1c(=O)n2CC(=O)N1CCOCC1 32091472 ZEFLUJZFDPZQFV-UHFFFAOYSA-N 427.486 2.095 0 40 IEAB CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 32519634 IHGKGSWKPPUKOA-UHFFFAOYSA-N 444.557 2.013 0 40 IEAB C[C@@]1(c2cccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)c2)NC(=O)NC1=O 40111078 SOVNUJNYGOOOBF-NRFANRHFSA-N 426.498 2.294 0 40 IEAB CCOC(=O)N1CCC(NC(=O)c2ccc(NC(=O)c3cn(C)nc3OC)cc2)CC1 44224788 GERBNECIZRQEIO-UHFFFAOYSA-N 429.477 2.032 0 40 IEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)Cc1nc(Cc2ccccc2)no1 48235402 WRZHJAOBAFWBBK-AWEZNQCLSA-N 443.481 2.374 0 40 IEAB CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CCN(C/C=C/c4ccccc4)C[C@H]32)C1=O 57110983 JKLVVJFWRXMIGO-NJTIBFSMSA-N 444.535 2.484 0 40 IEAB Cn1cc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)cc2C(=O)O)cc1C(N)=O 95448437 UUPKNOWBIMBQML-UHFFFAOYSA-N 440.481 2.317 0 40 IEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCN(Cc2nc3ccccc3s2)CC1 95947943 WLQAEFZINLYZBB-CALCHBBNSA-N 438.553 2.282 0 40 IEAB O=C(c1cc[nH]n1)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 96145201 AZKVARFGTUSXNP-UHFFFAOYSA-N 430.530 2.125 0 40 IEAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 100237500 UKAHJJSTQRBPJW-HRLGVUPISA-N 440.235 2.259 0 40 IEAB COc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102076238 VOFDLUPQNFQHCU-XCRQDONESA-N 437.492 2.499 0 40 IEAB C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220448689 KKIJTQJHTPCIQF-INIZCTEOSA-N 437.512 2.464 0 40 IEAB COc1ccc(N(CCCC(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)cc1 225247804 UZQFUURKOYCZRN-UHFFFAOYSA-N 425.595 2.480 0 40 IEAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc21 225690513 MJXJMMBNPRXLAB-UHFFFAOYSA-N 441.556 2.280 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccc2c(c1)OCO2 225762977 LIISZPYGAXCCKC-UHFFFAOYSA-N 448.497 2.016 0 40 IEAB CCCN1CC(=O)N2CC[C@@H](CC(=O)NCCOC)[C@@H](/C=C\COc3ccccc3C1)C2 253408056 XBZYITVCLLWLMB-YGICRIAWSA-N 443.588 2.465 0 40 IEAB NC(=O)c1cccc(-c2ccc([C@@H]3CN(C(=O)CN4CCCCCC4=O)CCO3)nc2)c1 257263723 LRDTWXCBIGTFLB-NRFANRHFSA-N 436.512 2.150 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)c(Cl)c1 408636363 OZBBXZDXJFOLMO-UHFFFAOYSA-N 440.905 2.485 0 40 IEAB O=C(NCC1CCCCC1)c1nnc2n1CCN1CCN(C(=O)c3cccs3)C[C@@H]21 585109908 KPLVTOVRCVTPLA-INIZCTEOSA-N 428.562 2.162 0 40 IEAB Cc1ncc(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCNC3=O)C2)c(C)n1 643555950 GXRBCEOLGCYMAL-XMMPIXPASA-N 438.528 2.226 0 40 IEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 958057 XTWSFKFQLXLRAT-UHFFFAOYSA-N 436.449 2.117 0 40 IEAB O=C(C1CCN(c2nccs2)CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8724435 JEQDQGXBOYBCHN-UHFFFAOYSA-N 438.550 2.032 0 40 IEAB CCc1cc(O)nc(-n2nc(C)cc2NC(=O)C(=O)NCCc2c[nH]c3ccccc23)n1 9037825 XFLIBAJQOIDDCU-UHFFFAOYSA-N 433.472 2.017 0 40 IEAB COc1ccc(Cl)cc1-n1c(C)c(C)n2c3c(=O)n(CC(C)=O)c(=O)n(C)c3nc12 9297152 VAXQUCMKLXOMKT-UHFFFAOYSA-N 429.864 2.006 0 40 IEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O 9478538 CVRPJUCPOVOOCD-IJEWVQPXSA-N 426.473 2.120 0 40 IEAB CC(C)(C)c1cc(NC(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)on1 9532495 YUMHXOPURQRPTM-UHFFFAOYSA-N 438.525 2.446 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCO2 9660720 MGOHWAJXICYIPX-UHFFFAOYSA-N 448.410 2.113 0 40 IEAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 9726308 ZIHIGYWLJNGNGM-GOSISDBHSA-N 445.507 2.006 0 40 IEAB CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 9827409 NKRBHMNBTVJZIF-UHFFFAOYSA-N 432.424 2.141 0 40 IEAB CCOC(=O)c1sc(NC(=O)Cn2nc(-c3ccc(OC)cc3)ccc2=O)nc1C 10131876 RLLMYRJKLGHUKK-UHFFFAOYSA-N 428.470 2.499 0 40 IEAB CC(=O)c1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)c2csnn2)cc1 12470772 HBTRWLJGHVYCHD-UHFFFAOYSA-N 438.465 2.433 0 40 IEAB CCOc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1 12523613 XGPWFBGSVYZYAE-UHFFFAOYSA-N 435.521 2.242 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)OCCO2 12650833 IFCHOUBNZPREIS-UHFFFAOYSA-N 426.878 2.379 0 40 IEAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)cc1S(=O)(=O)N(C)C 13078572 YRFUUTTWYJUEOH-UHFFFAOYSA-N 426.516 2.361 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 13563294 WNOASQIZPBKPTP-UHFFFAOYSA-N 446.013 2.453 0 40 IEAB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N[C@@H]4C=CS(=O)(=O)C4)ccc23)cc1 13609677 BCNWOGSIMNVNGU-OAHLLOKOSA-N 441.461 2.274 0 40 IEAB biogenic CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2ccnn2C)C1 19289110 AJYVUIHNYDYZTF-XMMPIXPASA-N 432.528 2.430 0 40 IEAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)CN2CSCC2=O)c1 19566610 PEFYYNRDISAPFI-UHFFFAOYSA-N 437.525 2.270 0 40 IEAB COc1ccc(CC(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1C 19692689 QRRVOYQANQMENO-NRFANRHFSA-N 448.527 2.459 0 40 IEAB COc1ccc(CN2CCN(C(=O)CNC(=O)NCc3ccc(F)cc3)CC2)cc1F 24979085 OXTWNNXTIIXGLY-UHFFFAOYSA-N 432.471 2.117 0 40 IEAB CCOC(=O)N1CCC(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 25804320 SJFZSYJQQXZHNU-UHFFFAOYSA-N 436.553 2.250 0 40 IEAB COC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1Cl 31054552 SVPYDNMHWBBGEK-UHFFFAOYSA-N 438.889 2.400 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NCc3ccc(F)cc3)CC2)cc1 31416766 WSMKWJLTWWIZSZ-MRXNPFEDSA-N 447.532 2.040 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@@H](C)C(=O)O)c(OC)c3)C2=O)o1 34721395 PIXGUYLEAFJEIF-KSSSLANASA-N 444.396 2.020 0 40 IEAB O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 36385126 AGEXIINFSWOKAG-NRFANRHFSA-N 436.512 2.201 0 40 IEAB COC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)N[C@H]1c1ccccc1 57414318 FTWCVNSDTSSARX-SFHVURJKSA-N 430.505 2.020 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21)NCc1ccccc1 57428258 CWGGQONHNIHFAV-UHFFFAOYSA-N 449.488 2.318 0 40 IEAB CCn1c(=O)c2snc(-c3ccccn3)c2n(CC(=O)Nc2ccc(F)cc2)c1=O 67350232 SKEFCTGGJHMVMT-UHFFFAOYSA-N 425.445 2.479 0 40 IEAB C[C@@H](CONC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)NC(=O)OC(C)(C)C 95453146 LTPJCXYQGAHNES-NSHDSACASA-N 435.930 2.165 0 40 IEAB CC(C)C(=O)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 225427948 ZWAVEPMDRULSOJ-UHFFFAOYSA-N 429.590 2.326 0 40 IEAB biogenic,in-vitro CN(c1ccc(CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1)S(C)(=O)=O 225975193 CRFOXLKXCZLZSE-UHFFFAOYSA-N 445.570 2.319 0 40 IEAB COc1ccccc1N(CCCC(=O)NCCCN1CCC[C@H](C)C1)S(C)(=O)=O 260764737 LRRUEGOWFSMPLZ-SFHVURJKSA-N 425.595 2.480 0 40 IEAB CCn1ncc2cc(C(=O)NCCCNC(=O)c3cc4cnn(CC)c4nc3C)c(C)nc21 574063965 IDGLWZHGJDVZAC-UHFFFAOYSA-N 448.531 2.383 0 40 IEAB CSCC[C@H](NC(C)=O)C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 575604981 JRGBRTDKAZMNOJ-AWEZNQCLSA-N 433.500 2.147 0 40 IEAB O=C(NCc1cscn1)C1=NO[C@]2(CCCN(c3cc(C(F)(F)F)ncn3)C2)C1 2056226144 LLDABNUFULLRQZ-MRXNPFEDSA-N 426.424 2.384 0 40 IEAB O=C1C[C@@H](c2ccc(Cl)cc2)N2N=C(NC(=O)/C=C/c3ccc4c(c3)OCO4)NC2=N1 2407635 UHEOLTAYOCSABI-FTPZRKARSA-N 437.843 2.402 0 40 IEAB COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1OC 4045240 TUJLPRBZDNVLJR-HXUWFJFHSA-N 441.503 2.335 0 40 IEAB COc1cc2oc(=O)c(CC(=O)N3CCN(c4ncccn4)CC3)c(C)c2cc1Cl 9184225 DOAGERIHWCOUBH-UHFFFAOYSA-N 428.876 2.445 0 40 IEAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9632156 VWZWIQFHRUNDOG-UHFFFAOYSA-N 426.502 2.238 0 40 IEAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccc(F)cc5)CC4)ncnc32)c1 9850801 BWYJTMRYBYINMB-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB O=C(Nc1cccnc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 12544240 DAMTXURKLVUSAZ-IBGZPJMESA-N 439.493 2.381 0 40 IEAB Cn1c(CCC(=O)NCc2ccccn2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12628002 NAGVOMUORHNQOE-UHFFFAOYSA-N 441.557 2.392 0 40 IEAB CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccc(C)cc1 12796577 KLBFQNSOMMVIRW-JOCHJYFZSA-N 440.519 2.484 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccc(C(F)(F)F)cc1 12924664 HCHYVNSNGAQOCR-UHFFFAOYSA-N 429.420 2.290 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl 13495518 JTTMCZUQCKTMHX-NSHDSACASA-N 426.878 2.061 0 40 IEAB CCCn1c(N)c(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(=O)n(C)c1=O 13985801 DBUKRHULBUYLCD-UHFFFAOYSA-N 446.558 2.169 0 40 IEAB Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1 14198389 OUZRSBDMOXBHCX-UHFFFAOYSA-N 443.884 2.398 0 40 IEAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCn4c(C)cc(C)nc4=O)C3)c2N)cc1 19213219 HNOPCHLPRFGGIG-GOSISDBHSA-N 448.527 2.058 0 40 IEAB O=C(c1ccco1)N1CCN([C@H](c2ccc(F)cc2)c2nnnn2C[C@@H]2CCCO2)CC1 19342081 HFJCZJPQWPINSL-AZUAARDMSA-N 440.479 2.132 0 40 IEAB O=C1CCCC[C@]2(CN(C(=O)c3ccccc3Cn3cncn3)C[C@H]2c2ccccn2)N1 19349817 RMCPMJDRJWIVIV-GBXCKJPGSA-N 430.512 2.390 0 40 IEAB O=C(C[C@@H]1CCCO1)N1CCC[C@H]1c1nn(CCO)cc1-c1ccnc(N2CCCC2)n1 19404141 HQOHOQPEUPYBRE-PXNSSMCTSA-N 440.548 2.165 0 40 IEAB Cc1cc(C)n(CCNC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)n1 19574225 XHCBNCBGHHZRJL-KOSHJBKYSA-N 438.528 2.421 0 40 IEAB CN1c2ncccc2C(=O)N[C@@H]1c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 19590949 IPIJFRQOQCCYPE-NRFANRHFSA-N 440.463 2.309 0 40 IEAB Cc1cnc(C(=O)N2CC[C@@H](c3c(C(=O)NCCN(C)C)sc4ncccc34)C2)cn1 19701997 MMMXTXQAIGSCKI-OAHLLOKOSA-N 438.557 2.316 0 40 IEAB Cn1cc(C(=O)N2CC[C@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)cn1 19703434 DDIQJOUXOHUAFH-AWEZNQCLSA-N 425.514 2.132 0 40 IEAB CC(=O)N1CCC[C@H]1c1nc(CN(C)C(=O)COc2ccc(F)cc2)cc(N(C)C)n1 19760365 UWIGMWCJFYMKEJ-IBGZPJMESA-N 429.496 2.403 0 40 IEAB Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)N[C@H](C)CN1CCOCC1 20028554 GKGXSGSJEPLFJW-SNVBAGLBSA-N 427.265 2.200 0 40 IEAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22916015 JKOALPRKSBZNEH-KNQAVFIVSA-N 441.597 2.085 0 40 IEAB C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)NCCc1c[nH]c2ccccc12 23350015 FXUVUPJYOKUHOU-GFCCVEGCSA-N 449.916 2.373 0 40 IEAB CN(C)[C@@H](CNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1ccccc1Cl 29051682 RHECOGQZLLLIIC-OALUTQOASA-N 431.899 2.318 0 40 IEAB O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 31241402 SYKGPAYAXJBEBA-QGZVFWFLSA-N 434.489 2.183 0 40 IEAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C 32946710 UKLZNICHSMXXBC-AWEZNQCLSA-N 432.571 2.450 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 36597262 FFMQQYGXFIRNGV-BEGJWDHYSA-N 434.539 2.315 0 40 IEAB C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](c2ccccc2)O1 58413287 XTUCALHAKBTFKZ-LAUBAEHRSA-N 430.526 2.310 0 40 IEAB Cc1nc2n(n1)CCN(c1nc(CN3CCOCC3)nc3sc4c(c13)CCCC4)C2 72312242 WUSMQZUISIJXST-UHFFFAOYSA-N 425.562 2.322 0 40 IEAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 72345340 WILDIILMECNOTF-GIVPXCGWSA-N 438.572 2.263 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cc(C(C)C)[nH]c(=O)c1)n2CCC 95460142 PDIWJYSOMXDTKF-UHFFFAOYSA-N 443.504 2.265 0 40 IEAB O=C(NCCNC(=O)c1ccn[nH]1)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 96003324 LMSVJZWALWFHRN-UHFFFAOYSA-N 425.449 2.018 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 100180527 PLWFOIIEDNVIBA-JMDDDVKNSA-N 427.501 2.242 0 40 IEAB CCOc1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc(O)ccc5[C@@H]4[C@@H]3C2=O)cc1 101373634 ILZMDKUUNVHAOI-RYRKJORJSA-N 438.461 2.269 0 40 IEAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2cccc(F)c2)c2cc(Br)ccc21 101455037 LCSANSUKLZYQKH-MRXNPFEDSA-N 434.265 2.428 0 40 IEAB O=C(CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)NC1CCCC1 101489003 SZMCPYGHOFOROA-IYBDPMFKSA-N 439.553 2.085 0 40 IEAB O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)[C@H]1CC(=O)N(C2CCCCCC2)C1 107591912 TYVAOICRLUMXNW-MSOLQXFVSA-N 439.564 2.028 0 40 IEAB CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)Nc3ccccc3F)cn12 107709181 XCEOMBAJHNDWMJ-SFHVURJKSA-N 432.463 2.404 0 40 IEAB O=C(Nc1nnc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)s1)c1ccccc1 222850673 CGVWXEOHYGDWEI-UHFFFAOYSA-N 447.517 2.440 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2cccs2)no1 224871023 XDCSBSMNBJFWHZ-LBPRGKRZSA-N 436.515 2.278 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 225225220 RKSYMKNPMBPPTL-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB CC1CCN(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)CC1 257266538 MDKNOOATFBYZCD-GMAHTHKFSA-N 443.588 2.263 0 40 IEAB Cc1nonc1CC(=O)N1CCC[C@@](C)(C(=O)NCCc2cnn(-c3ccccc3)c2)C1 257290643 QDUCACKUMNNUEP-HSZRJFAPSA-N 436.516 2.094 0 40 IEAB Cc1cccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)n1 257313027 UQRYSKYZNYLNAW-REWPJTCUSA-N 436.556 2.464 0 40 IEAB CCCCNC(=O)N1CC[C@H](NCc2ccccc2)[C@@]2(CC(C(=O)N3CCCC3)=NO2)C1 306133657 MSJLLACBIZQHRB-XUZZJYLKSA-N 441.576 2.498 0 40 IEAB CCN(Cc1ccccc1)C(=O)c1cn2c(nc1=O)[C@]1(CCN(C(=O)NC(C)C)C1)CC2 306134934 OBXVJOMHBGVILU-DEOSSOPVSA-N 437.544 2.371 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 408693960 CZXOKQHWGKMKPN-UHFFFAOYSA-N 431.942 2.187 0 40 IEAB Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H]3CCCN3c3ncccn3)CC2)c(C)c1 673841695 DGKIQBLZYFGGIE-UXHICEINSA-N 437.544 2.201 0 40 IEAB Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O 676653406 ZAIUEMWQEZGVFI-OYHNWAKOSA-N 427.505 2.168 0 40 IEAB COc1ccc(CN(C(=O)/C=C/C(=O)O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 1301591 QUBQCBFHFRMCTD-TZZQJPOUSA-N 438.436 2.005 0 40 IEAB O=C(OCn1nnc2ccccc2c1=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 3364691 HABPQXWOQSAPIF-UWJYYQICSA-N 440.456 2.022 0 40 IEAB CC(C)(C)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 8298828 MIXPHDZKQNEHJJ-KSZLIROESA-N 425.533 2.331 0 40 IEAB biogenic,in-vitro CCOC(=O)C1=C(COC(=O)c2cnc(SC)n2-c2ccccc2)NC(=O)N[C@H]1C 9201909 OLBCBZHUEWCMQK-LBPRGKRZSA-N 430.486 2.270 0 40 IEAB NC(=O)c1c(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)sc2c1CCC2 9612649 WJGQFBKUNIOWGV-JOCHJYFZSA-N 438.509 2.058 0 40 IEAB Cc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccc(F)cc4)[C@H]3C2=O)cc1Cl 9748706 DJMSDSKRHVVLAP-ZWKOTPCHSA-N 429.839 2.397 0 40 IEAB O=C(N=c1[nH]c2ccccc2[nH]1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 9858374 DVJULWZFEYCNLH-UHFFFAOYSA-N 430.394 2.296 0 40 IEAB Cc1cc(C)nc(SCCCn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248795 SJSYFZQPELBWEF-UHFFFAOYSA-N 443.577 2.393 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10588000 LBFWAZHDNSUPNR-UHFFFAOYSA-N 444.557 2.497 0 40 IEAB CNC(=O)NC(=O)[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1 11163773 KOBPZALREXNYRZ-FQEVSTJZSA-N 426.425 2.161 0 40 IEAB COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)N1CCc2ccccc2C1 12004665 VOMLLDBQPLESCY-UHFFFAOYSA-N 436.555 2.372 0 40 IEAB CCCCOCCCNC(=O)[C@@H]1CCC(=O)N1[C@H]1OC(=O)c2c1ccc(OC)c2OC 12662094 IFHSVZMHIXSYIM-BTYIYWSLSA-N 434.489 2.187 0 40 IEAB biogenic CNC(=O)c1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 12803840 DQRSAVCTYGIPRR-UHFFFAOYSA-N 447.421 2.358 0 40 IEAB COc1ccc(CCN2C[C@H](C(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2=O)cc1OC 12875500 JPHIWUMEQHTDHV-MRXNPFEDSA-N 446.525 2.137 0 40 IEAB CCc1cccc(N2C[C@H](C(=O)N3CCN(CC(=O)Nc4ccccc4)CC3)CC2=O)c1 12977591 KSLVNWUTWZPWKY-HXUWFJFHSA-N 434.540 2.385 0 40 IEAB C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13097842 PTYJSRJVAQVUSW-LLVKDONJSA-N 430.404 2.466 0 40 IEAB O=C(Cn1ccccc1=O)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 13102618 GMUVZBSAYUBCCZ-UHFFFAOYSA-N 443.569 2.429 0 40 IEAB Cc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)[nH]c2c1 13930198 MJGOXWOMMSKGAC-UHFFFAOYSA-N 430.555 2.497 0 40 IEAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)CCC2 14160216 WETOETGXNWLUGO-UHFFFAOYSA-N 427.570 2.140 0 40 IEAB COc1ccc(OCCCN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 15407497 XKGZFWAGNQXLSJ-UHFFFAOYSA-N 448.541 2.242 0 40 IEAB C[C@H](OC(=O)CCn1nc(-c2cccs2)oc1=O)C(=O)N1CCc2ccccc2C1 16366468 APXXXLFJUUFNRD-AWEZNQCLSA-N 427.482 2.472 0 40 IEAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1nc2ccsc2c(=O)[nH]1 16557908 ANJFQQSVQHICLX-UHFFFAOYSA-N 427.530 2.282 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 20006849 UHCBVQSKAJOAPL-RTBURBONSA-N 432.542 2.188 0 40 IEAB O=C(NCCCN1CCOCC1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 20533612 XWJCBBLLEMKEIS-UHFFFAOYSA-N 445.523 2.150 0 40 IEAB C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 22790476 CUBADWAPTSNUEK-WMZOPIPTSA-N 449.983 2.301 0 40 IEAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCN(C)CC1 22796236 IYCFFVDMNKJGPF-FQEVSTJZSA-N 428.508 2.186 0 40 IEAB COc1ccc([C@H]2CCCN2CCC(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 26908156 BHWMWBNINPGURK-HXUWFJFHSA-N 425.533 2.370 0 40 IEAB COc1cc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc(Cl)c1OC 32983219 WHLANDAIBQWMJR-IBGZPJMESA-N 446.887 2.482 0 40 IEAB C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N(C)Cc1nc2ccccc2c(=O)[nH]1 35388067 YJKOZZCLPQRXKQ-NSHDSACASA-N 425.514 2.031 0 40 IEAB NC(=O)C1CCN(C(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)CC1 36357495 IZKXVSXREDVIDT-UHFFFAOYSA-N 442.566 2.322 0 40 IEAB NC(=O)c1ccc(CN2c3ccccc3N(Cc3ccc(C(N)=O)cc3)S2(=O)=O)cc1 58244732 DKGJQMSZYYJTGU-UHFFFAOYSA-N 436.493 2.156 0 40 IEAB COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 61991185 MHTNSZSQTDOLMT-CZMAPVLFSA-N 441.553 2.264 0 40 IEAB biogenic COc1ccc(CN2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)cc1 96083061 JQXSHFWASXCVOP-URXFXBBRSA-N 425.577 2.231 0 40 IEAB CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1O[C@@H](C)C(=O)N(C)C 96403054 LBXYSGMJWQKYDN-ZRRZQRFHSA-N 438.527 2.227 0 40 IEAB O=C1c2nn(Cc3noc(C4CCCCC4)n3)c(=O)n2CCN1Cc1ccccc1F 98213052 QWMNKQJKHPIUPH-UHFFFAOYSA-N 426.452 2.319 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCCC[C@H]4C)nc(=O)c32)cc1 139088985 SRDYIHBEOOHXRS-MLGOLLRUSA-N 438.488 2.172 0 40 IEAB COC(=O)c1cn(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc12 222629998 KFZVCZXMFRFCRG-UHFFFAOYSA-N 428.466 2.137 0 40 IEAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)c1ccc2c(c1)OCCO2 222738544 JEMXPEYXHHUZKR-LSDHHAIUSA-N 434.514 2.498 0 40 IEAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224063363 YIARPTTYWYQIBT-SFHVURJKSA-N 431.558 2.049 0 40 IEAB CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224467151 OCZGOWVHUUYHEY-UHFFFAOYSA-N 442.548 2.455 0 40 IEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCCCN3CCC(C)CC3)s2)c1 225108706 LCCMMMCTWIOUMO-UHFFFAOYSA-N 437.591 2.499 0 40 IEAB S=C(NC[C@@H]1CCCO1)Nc1nc(N2CCOCC2)cc(N2Cc3ccccc3C2)n1 225907856 YXRACUHVFHEBLY-SFHVURJKSA-N 440.573 2.299 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3cn4cc(C)ccc4n3)CCN2C)cc1C 257248123 JCFFYBLTTQNTTE-OAQYLSRUSA-N 449.555 2.075 0 40 IEAB NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(Oc2cccnc2)cc1 257341780 ZLXZFLXEOXXTCU-QHCPKHFHSA-N 445.523 2.484 0 40 IEAB CCOc1cc(Br)c(/C=C2\NC(=S)N(CC(=O)OC)C2=O)cc1OCC 409211089 KQYUZRZJVLBJBR-SDQBBNPISA-N 443.319 2.477 0 40 IEAB O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(c2ccc(C(F)(F)F)nn2)CC1 1888870133 DPCXLLHWXCBULB-CYBMUJFWSA-N 437.397 2.336 0 40 IEAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@H](C)N)CC2)cc1 2196753 ZAHVSQTWVUUWLF-AVRDEDQJSA-N 436.556 2.247 0 40 IEAB CCCCc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCCO)c(=O)n2C)cc1 4303848 LXBLOYBVPMJCPN-MRXNPFEDSA-N 425.533 2.410 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)O 8790155 RFUPAELEDGOCAH-XLSMTSSISA-N 447.557 2.155 0 40 IEAB biogenic CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3ccc(F)cc3)c2n1 8794017 ODQKIQADGRSLJM-UHFFFAOYSA-N 444.536 2.273 0 40 IEAB COc1ccc(-c2nn(CC(=O)NC[C@H]3CCCO3)c(=O)c3nc(C)sc23)cc1OC 8955663 UWRYMSOPYUXEHC-CQSZACIVSA-N 444.513 2.141 0 40 IEAB Cc1c(C)n2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1Cc1ccccc1 9242963 WPRPDLBFGULRMZ-UHFFFAOYSA-N 434.544 2.300 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N1CCCc3ccccc31)c(=O)n2Cc1ccccc1 9366786 CCRLOJVTWSKQBZ-UHFFFAOYSA-N 443.507 2.407 0 40 IEAB Cc1ccc(CNC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)cc1 9675466 SSLDCSONXICLCR-QZTJIDSGSA-N 429.839 2.397 0 40 IEAB Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 9807102 LPZPUDXDNGNJLS-HXUWFJFHSA-N 443.569 2.198 0 40 IEAB O=C(Cn1ncn2nc(-c3ccccc3)cc2c1=O)N1CCN(c2ccc(F)cc2)CC1 11666372 IFIBMFVEWLTCRH-UHFFFAOYSA-N 432.459 2.046 0 40 IEAB COc1ccc([C@@H](NC(=O)CN(C)S(=O)(=O)c2cccs2)c2nccn2C)cc1 12547544 VOKWTJXDVDQKPJ-GOSISDBHSA-N 434.543 2.017 0 40 IEAB CN(C)[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)c1ccco1 12548806 WZZKSFJJAKWTIW-IBGZPJMESA-N 434.562 2.163 0 40 IEAB CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccnn2C2CCCC2)c1 12639091 ZOXIFJLYQGDYTI-UHFFFAOYSA-N 447.561 2.337 0 40 IEAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12690988 XEBPOKWOYCFMJL-UHFFFAOYSA-N 435.571 2.239 0 40 IEAB CCCNC(=O)CSc1nnc(SCC(=O)NCCCn2nc(C)cc2C)s1 13028647 YOFYNNNNTQXZLI-UHFFFAOYSA-N 442.636 2.268 0 40 IEAB CCN(C(=O)CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)[C@H]1CCS(=O)(=O)C1 13572277 SCAYPHNGUKOZKH-CNYBTUBUSA-N 440.518 2.288 0 40 IEAB O=C(NC1CCCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 13683363 XBRVXVXAIHVMEF-UHFFFAOYSA-N 433.530 2.002 0 40 IEAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13848229 FXYRCSOZOSTPKG-UHFFFAOYSA-N 428.449 2.034 0 40 IEAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(-n2cccn2)cc1 14140689 DTCZDVJWYQBUOM-UHFFFAOYSA-N 430.461 2.285 0 40 IEAB O=C(CCn1cnc2sccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 14213708 NNMPXNRWWQHPMD-UHFFFAOYSA-N 432.527 2.271 0 40 IEAB Cc1ccc(CNC(=O)NCC(=O)NCC(=O)Nc2ccccc2Br)cc1 14385629 CRHHGIYLMRSRBL-UHFFFAOYSA-N 433.306 2.312 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(C)nc4c3c(C)nn4C)CC2)cc1 14815257 PCXOBBBQILBKLV-UHFFFAOYSA-N 441.557 2.430 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccc(C)cc3)C1)C2=O 19699928 JFJVCVALJXVVGT-HXUWFJFHSA-N 426.561 2.325 0 40 IEAB CNc1ncc(C(=O)NCC[C@@H]2C[C@H](NC(C)=O)C[C@H](c3ccc(OC)cc3)O2)cn1 19712393 FIXNSXLBZUSNHO-DFQSSKMNSA-N 427.505 2.072 0 40 IEAB COc1ccc(NC(=O)c2cn(C)nc2CC2CCN(C(=O)Cn3cccn3)CC2)cc1 19756394 BIEXUUAWPWBRIG-UHFFFAOYSA-N 436.516 2.359 0 40 IEAB CC[C@H]1CCCCN1CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20244419 YWPMFAPLPVWHMP-SFHVURJKSA-N 428.574 2.209 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)c1C 21282541 WDNXOUJXPZLVCO-UHFFFAOYSA-N 436.486 2.083 0 40 IEAB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCCSc3nnnn3C)o2)c1 22108641 SCEUNXRRLRKDPW-UHFFFAOYSA-N 445.501 2.315 0 40 IEAB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2)Nc1ccc(F)cc1 22909117 YRPLEABNUPDIKQ-UHFFFAOYSA-N 446.548 2.324 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 32646599 WMPMNVPGWKAXKQ-BXUZGUMPSA-N 429.336 2.213 0 40 IEAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 40158628 GBUBKUBQCBLSCK-AWEZNQCLSA-N 443.481 2.274 0 40 IEAB CCS(=O)(=O)N(C)CCCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 48299748 NNECEWRFFDLTEK-HUUCEWRRSA-N 430.546 2.232 0 40 IEAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nnc([C@H]3CCCO3)s2)n1 49545978 QYZOUPBJCLFVAC-CQSZACIVSA-N 431.449 2.400 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1 68883359 HQWDDTGDJMBNPN-CQSZACIVSA-N 425.913 2.495 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccccc3-n3cncn3)CC2)s1 69393416 MARZOWURYHDSDO-UHFFFAOYSA-N 432.531 2.176 0 40 IEAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(S(=O)(=O)N2CCOCC2)C1 72352235 KEHOFBRSYRXKSD-HNNXBMFYSA-N 437.587 2.406 0 40 IEAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN([C@@H](C)C(=O)N2CCCCC2)CC1 78752126 FQMYSZIEQBEXJR-RXVVDRJESA-N 446.567 2.125 0 40 IEAB COc1ccccc1N1CCN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 89473871 YENZORBBSZGFCS-UHFFFAOYSA-N 435.521 2.242 0 40 IEAB Cc1ccn2ncc(C(=O)NCCCN(C3CC3)S(=O)(=O)c3cccc(F)c3)c2n1 89700850 TVBIBCICHXHUOT-UHFFFAOYSA-N 431.493 2.150 0 40 IEAB CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 95202029 JDYAUOCAFGPZME-CTNGQTDRSA-N 440.548 2.338 0 40 IEAB O=C1C[C@@H](NC2CCCC2)C(=O)N1c1ccc(N2C(=O)C[C@@H](NC3CCCC3)C2=O)cc1 100580998 IEWZFJUOTRWATK-WOJBJXKFSA-N 438.528 2.015 0 40 IEAB CCCNC(=O)Cn1c(=O)/c(=C/c2c(F)cccc2Cl)s/c1=C/C(=O)C(C)(C)C 102959162 DCQNUCDJHIVNKL-WJEOPBEZSA-N 438.952 2.453 0 40 IEAB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 113872841 JWCZBSXCAHBFFS-UHFFFAOYSA-N 436.486 2.421 0 40 IEAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225563836 DUZISGIVEAENCU-GOSISDBHSA-N 443.569 2.279 0 40 IEAB CN1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1c1cccc(C(=O)O)c1 257256957 KNNNEAIRQQMHEO-QFIPXVFZSA-N 438.528 2.149 0 40 IEAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccccc1OCc1nonc1C 257338339 YWYLKNDNMBHGGX-NRFANRHFSA-N 449.511 2.030 0 40 IEAB CNC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)CC4(O)CCCCC4)CCO3)n2)cn1 257343005 ZRAFDPRBBJGPTN-NRFANRHFSA-N 438.528 2.488 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(=O)c4cncc(C)c4)C[C@H]2C3)cc1 306140601 UYQINRQRGSSYOO-IAGOWNOFSA-N 432.484 2.187 0 40 IEAB C[C@H](Oc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1)C(=O)N1CCOCC1 408610063 UTZUHIUKEGWTDJ-ZDUSSCGKSA-N 426.441 2.392 0 40 IEAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)ccc1OCC(N)=O 409203174 VPJSLBLGVQXKHE-PFSWGADMSA-N 436.486 2.327 0 40 IEAB Nc1cc(C(F)F)c(-c2nc(N3[C@H]4CC[C@H]3COC4)nc(N3[C@H]4CC[C@H]3COC4)n2)cn1 575447861 UGDKPWVVBKHRDK-XUXIUFHCSA-N 445.474 2.189 0 40 IEAB Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCN(c4cccc(F)c4)CC3)CC[C@@H]2O)cc1 585281850 CLXLHKOAJMYXGJ-ZCYQVOJMSA-N 444.547 2.342 0 40 IEAB COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604404642 GNOAGBVDDQBVOS-MRXNPFEDSA-N 427.457 2.237 0 40 IEAB biogenic CS(=O)(=O)N1CCC[C@@H](c2nnc3sc(-c4cncc(Br)c4)nn23)C1 1501040574 ZDIIZWULCYLYBX-SECBINFHSA-N 443.352 2.149 0 40 IEAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(Cl)cc4)C[C@@H]23)n1 1549163106 YYRDWMJKDCRCJX-MRXNPFEDSA-N 428.880 2.366 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1 6142869 RNSNRVYLDGDOFR-UHFFFAOYSA-N 430.442 2.318 0 40 IEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9129347 QVMOXBHJRHOEDY-UHFFFAOYSA-N 446.916 2.473 0 40 IEAB Cc1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 9662683 QYIFLLCVDATSMA-UHFFFAOYSA-N 446.525 2.130 0 40 IEAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)C1 10603071 NLDJXMRRCDTHTK-HZPDHXFCSA-N 434.514 2.419 0 40 IEAB CCN(C(=O)COC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 11875001 FPCHOUPWWZJHLT-LKUPDRCFSA-N 439.530 2.074 0 40 IEAB Cc1ccc(-c2nc(SCC(=O)N3CCCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 11883414 VVQOXNSJALDPNJ-UHFFFAOYSA-N 439.541 2.107 0 40 IEAB C[C@H](Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)NCc1ccc2c(c1)OCO2 12509506 KURXEXURDNJXQM-HNNXBMFYSA-N 431.514 2.317 0 40 IEAB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 12778754 ZQXDSTJYSNKWDT-UHFFFAOYSA-N 431.514 2.367 0 40 IEAB Cc1cc(=O)c(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)nn1-c1ccccc1Cl 12787891 GZOGEWWMFYQFTL-UHFFFAOYSA-N 429.864 2.094 0 40 IEAB NC(=O)CCc1nnc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1C1CC1 12878670 RPCOWHMZSLJHDL-UHFFFAOYSA-N 425.417 2.083 0 40 IEAB CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 12888567 XMYXETUGOQCYNJ-UXHICEINSA-N 448.479 2.180 0 40 IEAB biogenic O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 13003686 YVPLGBOTWQYTTE-UHFFFAOYSA-N 444.488 2.214 0 40 IEAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1C 13566839 CRJJYJYBNCFMFN-HNNXBMFYSA-N 430.530 2.287 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(C(C)=O)cc1)c(=O)n2Cc1ccccc1 16045327 ZNTQKJYVJCAYTK-UHFFFAOYSA-N 445.479 2.269 0 40 IEAB Cn1c(=O)c2ccccc2n2c(COC(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc12 16330112 APKFNTLSTFHFSU-CQSZACIVSA-N 441.488 2.272 0 40 IEAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)CN2C[C@H](C)O[C@@H](C)C2)cn1 19214991 PWPJESFCQPWAJN-ROUUACIJSA-N 438.532 2.442 0 40 IEAB Cn1cc(CN2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(=O)c2ccc(F)cc2)CC3)cn1 19290695 PPURMAWCBIPHPS-HXUWFJFHSA-N 436.491 2.178 0 40 IEAB CCC(CC)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 19500182 ZFXDOTSUWBLAMZ-GOSISDBHSA-N 440.548 2.285 0 40 IEAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)C3CCCCC3)[nH]c2=O)C1 19520448 OYICWDRHMGEYBC-GOSISDBHSA-N 436.578 2.112 0 40 IEAB CN1c2ncccc2C(=O)N[C@@H]1c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 19590939 GEQDSJLDFSIMHE-NRFANRHFSA-N 440.463 2.309 0 40 IEAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 19695781 LISGMROLIIXKLW-MRXNPFEDSA-N 428.514 2.225 0 40 IEAB CS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)cc1 19761343 ZYELMJLKGKSLBY-MRXNPFEDSA-N 437.521 2.296 0 40 IEAB COC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1 19866685 RPXCOZBCOOTMGL-QGZVFWFLSA-N 442.965 2.293 0 40 IEAB Cc1sc2ncn(CC(=O)NC[C@@H](c3cccs3)N3CCOCC3)c(=O)c2c1C 22373872 GGMBICMJYMNJDY-HNNXBMFYSA-N 432.571 2.326 0 40 IEAB O=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 23909110 XYDOHWSHKZQLOB-UHFFFAOYSA-N 441.509 2.476 0 40 IEAB CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)CC1 24472415 KJGUOGNGGYOADK-UHFFFAOYSA-N 442.442 2.430 0 40 IEAB CN(CC(=O)OCc1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(F)cc1 25700946 NJSOCNOWWLZHAB-UHFFFAOYSA-N 434.489 2.426 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc3c(=O)n4c(nc3c1)CCCCC4)C2=O 32969359 RELADPOEHBZYJT-UHFFFAOYSA-N 437.500 2.268 0 40 IEAB CC(=O)c1cc2c(cc1NC(=O)Cn1c(=O)n(CC(C)C)c(=O)c3sccc31)OCO2 57486107 YXMIYBKJAPUHCE-UHFFFAOYSA-N 443.481 2.451 0 40 IEAB CNc1nc(C2CCN(CC(=O)N(C)C3CCCCC3)CC2)nc2c1CN(C(C)=O)CC2 72372279 PDMNXASDMZLYNG-UHFFFAOYSA-N 442.608 2.393 0 40 IEAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)CN3C(=O)CNC3=O)cc2n1 72389779 DXGZERQKGSKSCE-CYBMUJFWSA-N 438.410 2.087 0 40 IEAB NC(=O)[C@H]1CCCC[C@H]1NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 95941398 TWHVQNKFGBEJOT-LSDHHAIUSA-N 428.455 2.114 0 40 IEAB CCn1c(C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn(CCOC)c1=O 96119168 JMLQQSZDDGQKLO-UHFFFAOYSA-N 446.932 2.072 0 40 IEAB CN(C)CCN1[C@H]2CCN(Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O 96145914 LHVMEBFPOQTUHG-PMACEKPBSA-N 430.574 2.060 0 40 IEAB CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4ccncc4)cc32)n1 96156456 ZKUKAQHVXAEQPW-SFHVURJKSA-N 440.529 2.096 0 40 IEAB C/C=C\c1ccc(OC[C@H](O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(OC)c1 96991149 FYNCHQJBYNQANM-DHCBQETCSA-N 426.391 2.448 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 100117915 KHNQLMYBHBBIAM-RBJIPABNSA-N 426.517 2.275 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)[C@H](C)c3nn(C)c(=O)c4ccccc34)cc2n1 100139004 XMZQIISXUXIRPO-KDOFPFPSSA-N 432.484 2.457 0 40 IEAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCC[C@H]2C(=O)O)c2cc(Br)ccc21 101094537 IKXKMVQWCXJGRS-ZFWWWQNUSA-N 425.235 2.163 0 40 IEAB COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 108993054 IRZLILIHIHTKDF-GFCCVEGCSA-N 427.320 2.441 0 40 IEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 222888048 JDQCZDBBBWPCEK-LJQANCHMSA-N 445.585 2.275 0 40 IEAB COc1ccc(-c2noc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1 225572463 ZQKPYYMIUVOQOW-UHFFFAOYSA-N 442.497 2.460 0 40 IEAB COc1ccccc1N(CC(=O)NCCCn1ccnc1)S(=O)(=O)c1ccccc1 408619814 NRJAQORMEFXKRQ-UHFFFAOYSA-N 428.514 2.294 0 40 IEAB O=C(N[C@@H](c1ccccc1)c1nn[nH]n1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 622611367 CLPMKHNFLYRKLF-IBGZPJMESA-N 445.460 2.096 0 40 IEAB COc1ccccc1S(=O)(=O)N1CCCN(c2ccc3nnc(C4CCC4)n3n2)CC1 1775968447 NWFYPLSLHDOBPP-UHFFFAOYSA-N 442.545 2.301 0 40 IEAB CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)nc1C 6599636 WVMLNBXDARWWGC-UHFFFAOYSA-N 434.503 2.343 0 40 IEAB Cc1c(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cccc1-n1cnnn1 8705003 SYXBWNGVBVEKIU-YEJXKQKISA-N 425.493 2.046 0 40 IEAB O=C(OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1csc2c1CCCC2 9283323 RNQZTPLSQGGEEK-UHFFFAOYSA-N 448.566 2.317 0 40 IEAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc(-c2ccc3c(c2)OCO3)o1 9634155 SOAXVHPHCMECHM-UHFFFAOYSA-N 431.451 2.402 0 40 IEAB CC(C)c1ccc(O[C@@H](C)C(=O)N2CCNC(=O)[C@H]2CC(=O)OC[C@@H]2CCCO2)cc1 12137466 NNINEZJGCABUAM-FFZOFVMBSA-N 432.517 2.017 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN(CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)cccc2c1 12765453 KRECFSARJGPWMV-RTBURBONSA-N 444.601 2.354 0 40 IEAB COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc2c1CC[C@@H](C)C2 13022169 IRZUQKCKWMUXBA-LLVKDONJSA-N 448.522 2.443 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 13633354 WYXCFDNAYWIFNX-UHFFFAOYSA-N 445.585 2.440 0 40 IEAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCCC3)c2)CC1 15934939 CSVBIMRGWHSNAK-UHFFFAOYSA-N 428.558 2.475 0 40 IEAB C[C@H](OC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccc1 15940843 VZACWNSZHVDKEZ-INIZCTEOSA-N 426.494 2.366 0 40 IEAB Cc1cc(Cl)ccc1OCC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 16179531 VGLZBYVTXQJZSO-UHFFFAOYSA-N 432.933 2.441 0 40 IEAB CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1ccccc1OC 16588184 CHJKJXSNDSLMHS-UHFFFAOYSA-N 442.472 2.075 0 40 IEAB COc1ccc(C(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCC4)n3)C2)cc1 19449977 XDYYWLCZVYDFHV-WOJBJXKFSA-N 437.544 2.466 0 40 IEAB C[C@H]1CN(CC(=O)N2CCC(c3nc4ccc(F)cc4cc3C(N)=O)CC2)C[C@H](C)O1 19497403 GWKWKQHHYRHAJP-GJZGRUSLSA-N 428.508 2.288 0 40 IEAB COC(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)cc1 19592528 SEPNXCVKNCAWDJ-QFBILLFUSA-N 429.498 2.056 0 40 IEAB CN1C(=O)N(C)C2=NNC(c3ccc(N(C)C)cc3)=N[C@@]2(c2c[nH]c3ccccc23)C1=O 19702977 SZRGHBVMZDDBEE-HSZRJFAPSA-N 429.484 2.317 0 40 IEAB biogenic O=C(NC[C@H]1CCCO1)c1ccc(C2CCN(C(=O)CN3CCCCCC3=O)CC2)nc1 19754840 UGQVOCPPKVPYQE-HXUWFJFHSA-N 442.560 2.099 0 40 IEAB COc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1 20485446 ZDWVCIOAGTVLCU-MRXNPFEDSA-N 428.514 2.352 0 40 IEAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)N1CCOCC1 22470128 PNANAAZBXUPGCZ-CQSZACIVSA-N 436.461 2.031 0 40 IEAB COc1cc(N2C[C@H](C(=O)N3CC(=O)Nc4ccccc43)CC2=O)cc(OC)c1OC 23113260 OVONMUZOIAOKPM-CYBMUJFWSA-N 425.441 2.051 0 40 IEAB CCN(C(=O)COC(=O)/C=C/c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 25512590 GHJATYXDOXYBJR-LHRNQBEKSA-N 435.420 2.177 0 40 IEAB CCN(CC)C(=O)CN1CCCN(S(=O)(=O)c2ccccc2Br)CC1 26825655 GLYJMTDTYWOMFN-UHFFFAOYSA-N 432.384 2.014 0 40 IEAB CSc1ccccc1NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 32904807 GMJWGVXJOAOUTP-INIZCTEOSA-N 442.584 2.129 0 40 IEAB C[C@H]1Cc2cc(-c3cc(CC(=O)NCCc4ccc(S(N)(=O)=O)cc4)no3)ccc2O1 35592894 IDUHINARXCEONT-AWEZNQCLSA-N 441.509 2.214 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)Cn2c(SC(F)F)nc3ccccc32)CC1 40050754 YOJULSPNZHKHEF-UHFFFAOYSA-N 432.518 2.281 0 40 IEAB O=C(c1cn2cccnc2n1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 48234707 NWJVUOPMBCCTDV-UHFFFAOYSA-N 440.312 2.183 0 40 IEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)c1 48290018 HZGXGKGGUFZOKC-UHFFFAOYSA-N 444.454 2.330 0 40 IEAB O=C(COc1coc(CN2CCN(c3ccccc3F)CC2)cc1=O)NCc1ccco1 56949831 MVNFGVAGORKYTF-UHFFFAOYSA-N 441.459 2.389 0 40 IEAB Cc1ccn(C[C@@H](C)C(=O)N2CCC(c3ccc(C(=O)N4CCN(C)CC4)cn3)CC2)n1 72374404 XBKPMCZHYLIJHE-GOSISDBHSA-N 438.576 2.016 0 40 IEAB COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)nc2cc(C)ccn2c1=O 96113831 QMHQULYFJLYBCO-OAHLLOKOSA-N 435.436 2.254 0 40 IEAB biogenic O=c1c(CN2CCOCC2)coc(O)c1CN1CCN(Cc2ccccc2Cl)CC1 101374471 LBZKVRHPCQYKFH-UHFFFAOYSA-N 433.936 2.149 0 40 IEAB COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1 222638030 WJHKYNOMXMKAJE-UHFFFAOYSA-N 434.514 2.184 0 40 IEAB O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(OC(F)F)cc2)CC1 223418206 XHDQLHQYJGHXHI-QGZVFWFLSA-N 447.438 2.357 0 40 IEAB O=C(NCC(=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1)OCc1ccccc1 239579113 DEUPEPMSFIBVFA-UHFFFAOYSA-N 448.527 2.183 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)c1 260743606 NDIHNOYWYMWMFU-VBKZILBWSA-N 434.514 2.417 0 40 IEAB CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1=O 585106600 CPZWSCXEGGLCMU-URXFXBBRSA-N 425.504 2.225 0 40 IEAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)Cn2ccnc2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585262439 KGOMDKCJKLTKEC-HTDNTCHWSA-N 438.503 2.220 0 40 IEAB Cc1cc(C)cc(O[C@H]2CN(Cc3ccc(OCCN4CCNC4=O)cc3)C[C@@H]2O)c1 1616009432 YYHFJNJALKYWJY-GOTSBHOMSA-N 425.529 2.332 0 40 IEAB COc1ccc(OC)c(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)c1 919760 MAYNBEHSUKJCIY-UHFFFAOYSA-N 439.501 2.356 0 40 IEAB COc1ccc(Cn2nnnc2CN(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 1373536 QOYJDQBJDFDAKK-UHFFFAOYSA-N 448.527 2.183 0 40 IEAB C[C@]12C=C[C@@]3(O1)[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CC1 1380960 ATOYAMUCSJBORR-OUKZFHLRSA-N 449.551 2.065 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)CC2)cc1 3412233 XLCGIOQDNJFINH-UHFFFAOYSA-N 429.542 2.167 0 40 IEAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)c1snc(C(N)=O)c1N 6632144 CXLDFTBCZNBQPP-CQSZACIVSA-N 447.561 2.169 0 40 IEAB CCN(CC)CCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc12 8709892 QDYIORDJOFYJGU-UHFFFAOYSA-N 440.523 2.295 0 40 IEAB O=C(c1cnn(-c2ccccc2)n1)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 9223958 XQDCZVBGPHTKLU-QGZVFWFLSA-N 430.468 2.325 0 40 IEAB CN1CCN(c2nc3ccc(OC(=O)CN4C(=O)c5ccccc5C4=O)cc3s2)CC1 9316244 WADCLMHVISAQHN-UHFFFAOYSA-N 436.493 2.250 0 40 IEAB Cn1c(=O)c2c(SCC(=O)Nc3cccc(Cl)c3)nc(C3CC3)nc2n(C)c1=O 9382363 VYQCXPGJKVYZBM-UHFFFAOYSA-N 431.905 2.289 0 40 IEAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)c2C(N)=O)C1 9623096 HOTGVFXYIXVHKA-UHFFFAOYSA-N 449.554 2.186 0 40 IEAB NC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 9737467 KZENXHRKVVEXBH-QHCPKHFHSA-N 448.504 2.476 0 40 IEAB CN(C)S(=O)(=O)N1CCC(C(=O)NCCSCc2c(F)cccc2Cl)CC1 10331017 ZPDFEECIEGUFPL-UHFFFAOYSA-N 437.990 2.347 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1C 11697591 BRKNCCBZNRZSFN-UHFFFAOYSA-N 440.529 2.443 0 40 IEAB CN1CC[C@]2(CCC1=O)C[C@H](NC(=O)c1ccc(Cn3cnnn3)cc1)c1ccccc1O2 12086482 YTIRULWIRRDAGJ-GBXCKJPGSA-N 446.511 2.356 0 40 IEAB CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 12563840 VWPKSKMMIFPTDH-UHFFFAOYSA-N 445.541 2.061 0 40 IEAB Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)C[C@@H]2CCCO2)c1 13503676 SGBOIZPOWJZTEC-FQEVSTJZSA-N 438.528 2.433 0 40 IEAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1 13700244 UJFGRNDOFMMJSS-UHFFFAOYSA-N 442.479 2.083 0 40 IEAB Cc1ccccc1OCC(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 17136044 ORZMIOXBGCTMCO-UHFFFAOYSA-N 443.511 2.306 0 40 IEAB NC(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 19353436 UDFQPRITHNALNV-UHFFFAOYSA-N 435.402 2.310 0 40 IEAB CCN(CC)C(=O)Cn1nc2n(CC(=O)N3[C@@H](C)CCC[C@@H]3C)c3ccccc3n2c1=O 19526238 XDCSHDOCZLLUQF-IRXDYDNUSA-N 440.548 2.109 0 40 IEAB Cn1ccnc1C(=O)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19695695 GRKONCMOVJMGFW-INIZCTEOSA-N 440.525 2.321 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)c3ccc4c(c3)NC(=O)C(C)(C)O4)C2)ncc1C(=O)N(C)C 19757558 BHINUBUIQRWJQM-HNNXBMFYSA-N 437.500 2.226 0 40 IEAB COc1ccc(S(=O)(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCCN3C(C)=O)n2)cc1 19760098 RBEDPYJKTYERPG-LJQANCHMSA-N 447.561 2.055 0 40 IEAB COCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20005966 AWULCLGVQCMNGY-KRWDZBQOSA-N 426.922 2.001 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1F 20046390 NZJSLIQBZWCFGK-UHFFFAOYSA-N 438.462 2.226 0 40 IEAB CC(C)CN(C(=O)COC(=O)c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 21612053 VQWRHZZMYBRLBI-ZDUSSCGKSA-N 432.336 2.278 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN(C)Cc3c(F)cccc3Cl)C2=O)cc1 22060304 IKJMWELGHZPUHJ-NRFANRHFSA-N 448.882 2.418 0 40 IEAB CCOc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 22229195 KWKNTEATYFFOLK-UHFFFAOYSA-N 433.530 2.069 0 40 IEAB O=C(NCc1cn2ccccc2n1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 23754437 FXIIGFOEVFZNSU-UHFFFAOYSA-N 444.421 2.324 0 40 IEAB Cc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1S(=O)(=O)N1CCOCC1 24601295 QEOYLLOGUCOBSH-UHFFFAOYSA-N 430.530 2.263 0 40 IEAB Cc1ccc2cc(CN(CCN3CCOCC3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 26100365 WIWBTWYZTLFWAQ-HXUWFJFHSA-N 444.601 2.024 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 36228411 RJDVBXLKEYZCMJ-UHFFFAOYSA-N 441.509 2.167 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)cc1 40389033 SRDYIHBEOOHXRS-LRDDRELGSA-N 438.488 2.172 0 40 IEAB CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(OC)c(OC)c2)c1=O 44840716 ZGLQJKHLTDSNCR-HNNXBMFYSA-N 425.485 2.468 0 40 IEAB O=C(NCc1cccc(N2CCOC2=O)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 71850273 GMESXNCHLLEPND-MRXNPFEDSA-N 435.527 2.174 0 40 IEAB CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ncccn3)cc2)C(=O)C1 72294640 SDXBFWBLEGOFAD-UHFFFAOYSA-N 427.461 2.287 0 40 IEAB Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 72393515 QKWFYDAVFXBKIE-UHFFFAOYSA-N 442.535 2.146 0 40 IEAB O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 72402691 ROAVBDPKJOLQTP-UHFFFAOYSA-N 433.390 2.266 0 40 IEAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN([C@H](C)C(=O)N2CCCCC2)CC1 78752152 FQMYSZIEQBEXJR-WIYYLYMNSA-N 446.567 2.125 0 40 IEAB COCCN(CC(=O)OC)c1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 95443207 YJQSSPPDJHHEOF-UHFFFAOYSA-N 434.562 2.028 0 40 IEAB CC(C)CN1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCC1 100430839 AHMYIHLZXLGTIQ-IKVZYYAVSA-N 443.588 2.301 0 40 IEAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2C)no1 102129895 SEXLVNNDFVHQFW-CALCHBBNSA-N 439.468 2.458 0 40 IEAB C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222930769 DYFQAHFIBNIWNX-LJQANCHMSA-N 443.519 2.070 0 40 IEAB COc1ccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)c(OC)c1 224110857 CMARHGPIPRIBCF-UHFFFAOYSA-N 446.576 2.461 0 40 IEAB CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3cc(OC)ccc3C)CCN2C(C)=O)c1 257208465 BMGHWPWCJXJGAD-QFIPXVFZSA-N 438.528 2.207 0 40 IEAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(OC)c3)CC2=O)cc1 408656752 OFPLOPNPPJQSPB-OAHLLOKOSA-N 426.425 2.017 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408656833 JHVIXGZZPQALIX-UVPINQTDSA-N 428.485 2.233 0 40 IEAB CC(=O)NC1CCN(S(=O)(=O)c2cccc([S@](=O)(O)=NC3CCCC3)c2)CC1 409416016 MVHOKVCVYOXWEP-UHFFFAOYSA-N 429.564 2.218 0 40 IEAB O=S(=O)(Cc1cccc(Cl)c1)NCCN1c2ccccc2N(C2CC2)S1(=O)=O 585147716 TWQCDCKXJARAPL-UHFFFAOYSA-N 441.962 2.493 0 40 IEAB Cc1cnc(C(=O)N2CCCN(c3ccc4nnc(-c5cccc(F)c5)n4n3)CC2)cn1 1775972679 QTYIQDKVDPPKIW-UHFFFAOYSA-N 432.463 2.381 0 40 IEAB CN1CCn2c(-c3cccc(F)c3)cnc2C12CCN(S(=O)(=O)c1cn(C)cn1)CC2 2055794356 PBYAVQIBKMKAIQ-UHFFFAOYSA-N 444.536 2.048 0 40 IEAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N2CCCCC2)c(OC)c1 712497 OAJYVHHTLLXQSH-HXUWFJFHSA-N 431.489 2.278 0 40 IEAB Cn1c(=O)c2c(nc(SCC(=O)NC3CCCCC3)n2Cc2ccccc2)n(C)c1=O 930447 UJKCWFHPLJEBDM-UHFFFAOYSA-N 441.557 2.023 0 40 IEAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCO)CC(=O)N32)cc1OC 2156185 YSGQAXUNAKILFL-YADARESESA-N 449.507 2.252 0 40 IEAB biogenic C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)C[C@@H](C)O1 2619388 CZQHBVTWORVVKJ-HUUCEWRRSA-N 432.498 2.143 0 40 IEAB O=c1c2cc3c(=O)n(Cc4ccccc4F)c(=O)c3cc2c(=O)n1Cc1ccccc1F 3100887 MMZDROXCXMEYEK-UHFFFAOYSA-N 432.382 2.287 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)c1C 3426141 QSEAKFYSBIYVLB-CQSZACIVSA-N 428.441 2.206 0 40 IEAB Fc1ccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccccc4)CO[C@H]23)cc1 4259727 YLQKOKXMVARLCZ-WNRNVDISSA-N 442.476 2.298 0 40 IEAB biogenic,in-vitro C[C@@H](C(=O)N1CCc2ccccc21)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 8880960 PYJQHOICYMNYNP-KRWDZBQOSA-N 431.533 2.500 0 40 IEAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9128766 OVWSGCYUSFHAOW-UHFFFAOYSA-N 447.538 2.113 0 40 IEAB O=C(CCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)N[C@H]1C=CS(=O)(=O)C1 9429776 UJFXWGNNDWGDNV-CJAAZZPWSA-N 426.903 2.193 0 40 IEAB Nc1c(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c(=O)[nH]c(=O)n1C1CC1 9514963 ZCCGAVFQQFJITG-UHFFFAOYSA-N 437.403 2.391 0 40 IEAB COc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1S(=O)(=O)NC1CC1 9646426 JJRDSASCGGZLKG-UHFFFAOYSA-N 432.498 2.179 0 40 IEAB Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)CC1 9797515 LHQNEYGUTBGJFF-FQEVSTJZSA-N 438.553 2.257 0 40 IEAB O=C(/C=C\c1ccc2c(c1)OCO2)NCCn1ncc2c(=O)n(Cc3ccccc3)cnc21 9822526 PRVPWEYAKZIEAT-CLFYSBASSA-N 443.463 2.200 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 10778193 IHHIMZWIGFDYRS-UHFFFAOYSA-N 429.542 2.280 0 40 IEAB COc1ccc(N(C)c2nnc(-c3ccc(NC(=O)C(=O)NCCO)cc3)s2)cc1 11797287 RZRMMPZZAGWGGG-UHFFFAOYSA-N 427.486 2.029 0 40 IEAB COc1ccc2c(c1)C(=O)N(CC(=O)NC1CCCCC1)C[C@]1(CCC(=O)N(C)CC1)O2 12087117 GYKMSBVWNYKBGV-XMMPIXPASA-N 443.544 2.360 0 40 IEAB CCCc1noc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 12744751 TYVQSNCUVDTEKE-UHFFFAOYSA-N 426.926 2.141 0 40 IEAB CC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 12753669 KNUOVJVHTAFLJM-UHFFFAOYSA-N 435.590 2.140 0 40 IEAB Cc1nc(NC(=O)CCN2C(=O)COc3ccccc32)sc1-c1nnc(S)n1C 12872352 XMQQLYANSBQUPG-UHFFFAOYSA-N 430.515 2.290 0 40 IEAB C[C@@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)N1CCc2ccccc2C1 12888448 JBEPGHRTLXMXSH-MRXNPFEDSA-N 428.510 2.357 0 40 IEAB C[C@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)NCc1ccco1 14244042 HJLZHFOPJVYEIT-JTQLQIEISA-N 427.486 2.082 0 40 IEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 14248202 JOFCSVMSGHCCKQ-QGZVFWFLSA-N 444.475 2.452 0 40 IEAB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)N1c2ccccc2NC(=O)C1(C)C 16931985 RVMSHLYLTGGDRW-CYBMUJFWSA-N 434.452 2.161 0 40 IEAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(CC3=COCCO3)CC2)on1 19123190 ZGVMVTHJFFKTHZ-UHFFFAOYSA-N 427.505 2.344 0 40 IEAB Cc1nn(C(C)C)cc1S(=O)(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 19583270 LQWCZLBKINQXJJ-MRXNPFEDSA-N 428.518 2.096 0 40 IEAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)[C@@H](C)c3ccccc3)C1)C2=O 19699740 GFMHXJZOCIUDRI-PKOBYXMFSA-N 440.544 2.104 0 40 IEAB COc1cc(C)c(C)cc1S(=O)(=O)N(C)Cc1nc([C@H]2CCCNC2)cc(N(C)C)n1 19710040 RGKAHPMPWYEHTM-KRWDZBQOSA-N 447.605 2.456 0 40 IEAB Cc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1 21149804 FDMPAWSHLIUPCR-UHFFFAOYSA-N 440.573 2.402 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1)N1CCCCCC1 23043723 GQTXYNVAOLYFBR-UHFFFAOYSA-N 444.395 2.158 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NCc2ccncc2)C(C)C)c1 24581905 QNTPKKVLZJPPEH-FQEVSTJZSA-N 446.573 2.183 0 40 IEAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)c(=O)n2N)cc1 27752245 ZKBDNFDBXKDOTB-UHFFFAOYSA-N 441.513 2.081 0 40 IEAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cnn(-c3ccccc3)n2)n1 32672346 GUHIXUHNVALZNX-UHFFFAOYSA-N 434.412 2.197 0 40 IEAB O=C(CN1CCN(C(=O)c2cccnc2OCC(F)(F)F)CC1)N1CCCCCC1 40070061 XWRISTDYZSCXSA-UHFFFAOYSA-N 428.455 2.183 0 40 IEAB CN(C)c1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCCC3)c2=O)cc1 49409235 OUFMYMMUCDCVMF-UHFFFAOYSA-N 432.546 2.118 0 40 IEAB COc1cc(-c2nn(CN3CCN(c4ncccn4)CC3)c(=S)o2)cc(OC)c1OC 58160885 OBLQLMLVTKMGLL-UHFFFAOYSA-N 444.517 2.468 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)n1 77100385 JUNCGHHSKQTCBW-UHFFFAOYSA-N 426.380 2.496 0 40 IEAB Cc1ccc(NC(=O)CSCC(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)cc1 95403718 PRMWYPQKEARXIU-KRWDZBQOSA-N 429.546 2.020 0 40 IEAB CCc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NC[C@@H]2CCCO2)Cn2ccnc23)o1 96243757 ZZQAFMSPQOYOTQ-AZUAARDMSA-N 428.533 2.224 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 102084959 IRYHDWVLKQAVEH-QBXQWZBTSA-N 444.281 2.228 0 40 IEAB Cc1c(C(=O)CC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)[n+]([O-])c2ccccc2[n+]1[O-] 102957842 GMENEGNMIFTQKH-UHFFFAOYSA-N 433.342 2.214 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](Oc2ncccc2Br)C1 238868653 MJEKMPISXJZKEI-LBPRGKRZSA-N 441.303 2.457 0 40 IEAB COc1cccc([C@@H]2CCN(CC(=O)NCCc3ccc(OC)c(OC)c3)C[C@H]2O)c1 248185958 HNIWTUPMNMQCFA-LEWJYISDSA-N 428.529 2.222 0 40 IEAB OC1(CN2CCOC[C@](O)(COc3ccccc3)C2)CCN(c2cccc(F)c2)CC1 585287197 KWULLHISOFUOMA-DEOSSOPVSA-N 430.520 2.299 0 40 IEAB Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2CN(c3ccc4nnc(C)n4n3)C[C@H]2C1 1888916405 LNTRZHUEEMTTAD-GJZGRUSLSA-N 432.937 2.151 0 40 IEAB COc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2cc(OC)ccc2OC)c1 932261 HOVBSXYBVQTBHO-UHFFFAOYSA-N 431.474 2.428 0 40 IEAB CCOc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(F)cc4)nn3c2=O)cc1OC 2447826 LXWTUJFFEIUZHZ-UNOMPAQXSA-N 439.468 2.196 0 40 IEAB CCCn1c(CCC(=O)N2CCC(=O)CC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 8778814 ZXIFGDBGTOAVOK-UHFFFAOYSA-N 446.573 2.355 0 40 IEAB Cc1cc(C)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)n1 9256483 ONTBNZPYOFCAME-UHFFFAOYSA-N 430.452 2.052 0 40 IEAB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)ccc1O 9402835 QMLOZRSAWHFCQR-JXMROGBWSA-N 448.497 2.155 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(Br)o1 9562611 OUXVZDWCSGSJAP-UHFFFAOYSA-N 445.291 2.324 0 40 IEAB O=C(CNc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccc(N2CCOCC2)cc1 9777579 CYDSBPLUAGCDBQ-FQEVSTJZSA-N 438.528 2.483 0 40 IEAB Cc1nnc(SCCCn2c(N3C[C@H](C)C[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)s1 10248866 PDMPLRGQBWUYRT-VXGBXAGGSA-N 449.606 2.248 0 40 IEAB COc1ccc(OC[C@@H](O)CN(Cc2cccc(OC)c2)[C@@H]2CCS(=O)(=O)C2)cc1 12390015 WVPPMIXRLIUFKT-MOPGFXCFSA-N 435.542 2.133 0 40 IEAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12684977 SUURYFLFTSATPX-UHFFFAOYSA-N 428.518 2.097 0 40 IEAB CCCCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O 12878306 QMVRUDAMYTZUBT-UHFFFAOYSA-N 441.532 2.493 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccccc2C(=O)NC(C)C)Oc2ccccc21 13678989 CDDXHTCMRKCJNH-LJQANCHMSA-N 431.514 2.381 0 40 IEAB O=C(COC(=O)/C=C/c1cc(F)cc2c1OCOC2)NC[C@@H]1COc2ccccc2O1 15496900 WOWNXFMJRDBEEK-FUTAKVPZSA-N 429.400 2.205 0 40 IEAB CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1 15544027 BJFYBDZDGKBYIU-UHFFFAOYSA-N 433.505 2.289 0 40 IEAB CNC(=O)[C@]1(Cc2ccccc2-c2ccc(F)cc2)CN(C(=O)c2cnccn2)CCO1 19591891 GECUKFFWFYZJKG-DEOSSOPVSA-N 434.471 2.483 0 40 IEAB Cn1nc2c(c1C(=O)N1CCC(c3ccc(C(=O)N4CCOCC4)cn3)CC1)CCCC2 19708329 WSDPEAFQGKIKES-UHFFFAOYSA-N 437.544 2.186 0 40 IEAB COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)N[C@@H](C)c3ccccc3)=C2)c1 20551301 PEJCKDLKEMWOPI-AWEZNQCLSA-N 429.498 2.444 0 40 IEAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCCN3CCN(C)CC3)ccc2C)c1 22822128 DFIZZZQQSATDBD-UHFFFAOYSA-N 444.601 2.472 0 40 IEAB COc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 24954479 MXXAFNFJPRVIBO-KRWDZBQOSA-N 438.436 2.266 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 27088896 QHGWGNZUOHBWPZ-GOSISDBHSA-N 439.578 2.053 0 40 IEAB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NC[C@H]1COc2ccccc2O1 32668317 BFQSOUKTUDBQBQ-HNNXBMFYSA-N 449.492 2.157 0 40 IEAB O=c1nc2s/c(=C/c3ccc(Br)cc3)c(=O)n2nc1Cc1ccccc1 33330120 BLWAZUNLYNBIIN-LFIBNONCSA-N 426.295 2.412 0 40 IEAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338837 CSPGFEGRXJMPOI-IIBYNOLFSA-N 431.562 2.420 0 40 IEAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CC1 72348255 UQQMLMGUKZXZTQ-UHFFFAOYSA-N 441.495 2.251 0 40 IEAB CCN1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)Nc3cccc(OC)c3)CC[C@@H]12 96145326 OROGARLEWJMRJQ-NFBKMPQASA-N 430.549 2.262 0 40 IEAB CCc1cnc(N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCOC)[C@H]3CC2)nc1 96145788 PKTIJUQBXWJWNU-ROUUACIJSA-N 432.546 2.106 0 40 IEAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(C(=O)c2ccnc(OC)c2)C3)c(OCC)n1 100152917 NUNZDIYPWJZZCS-IRXDYDNUSA-N 442.516 2.438 0 40 IEAB C[C@H]1CCc2c(sc3ncn4c(=O)n(CC(=O)OC5C[C@@H]6CC[C@@H](C5)N6C)nc4c23)C1 100475598 ACHHTMXMBVPGDS-IHRRRGAJSA-N 441.557 2.399 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCCN(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 222566615 CHQWASSBYOGVFL-UHFFFAOYSA-N 425.551 2.150 0 40 IEAB COC(=O)c1cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc(C(=O)OC)c1 223330584 WINOHLJMIJFARZ-UHFFFAOYSA-N 440.817 2.149 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCN3CCCC3=O)ccc2C)cc1 224313246 FABOGULNZYKDDL-UHFFFAOYSA-N 429.542 2.481 0 40 IEAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)CCC(=O)O)C[C@@H](Oc2ccc(F)c(F)c2)[C@@H]1O 257247409 IYXNLOGPAAEOLY-VKGYTVAMSA-N 448.466 2.327 0 40 IEAB CN(c1cccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1)S(C)(=O)=O 409142397 LCMQSYGTQXYGSG-UHFFFAOYSA-N 445.950 2.141 0 40 IEAB COc1cc(OC)c(OC)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 409235846 COAOPICUDHQRNB-OQLLNIDSSA-N 441.440 2.252 0 40 IEAB CCOC(=O)Cn1nnnc1CN(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O 926231 CZMOOAVFWNYTRV-UHFFFAOYSA-N 436.472 2.182 0 40 IEAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)Nc2ccc(SC(F)F)cc2)n(C)c1=O 1100634 FJKRSALODHQMTE-UHFFFAOYSA-N 429.836 2.041 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1 3538095 VSYANYPYMKYJOC-UHFFFAOYSA-N 436.873 2.043 0 40 IEAB CCOC(=O)N[C@](Nc1c(C)n(C)n(-c2ccccc2)c1=O)(C(=O)OCC)C(F)(F)F 8445394 LHWPVJUBWUGDIE-GOSISDBHSA-N 444.410 2.464 0 40 IEAB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 8769651 XYJHJKBRXBIALT-PBASOCQRSA-N 431.448 2.301 0 40 IEAB CCOC(=O)NC(=O)COC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 8824841 DLYQWDJEZNGURQ-UHFFFAOYSA-N 448.403 2.281 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccc(Cl)cc32)cc1 8843666 JBNLWZYBULDOKZ-UHFFFAOYSA-N 437.861 2.102 0 40 IEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1=O 8891822 WNHZNTQSBDPQBI-QFIPXVFZSA-N 426.448 2.323 0 40 IEAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 8897218 GLQRGSYZYJDWQV-GOSISDBHSA-N 442.541 2.232 0 40 IEAB C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)o1 8901012 WWRYNCGBVUMOKL-SECBINFHSA-N 447.448 2.091 0 40 IEAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)COc1ccc2c(c1)CCC2 9451398 PFWMCDVUCROEQY-UHFFFAOYSA-N 426.469 2.169 0 40 IEAB O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9502506 FGZQIXDKYCICRF-QZTJIDSGSA-N 442.541 2.146 0 40 IEAB Cc1cc(NC(=O)CSc2ccc3nnc(CCNC(=O)c4ccccc4)n3n2)no1 9578397 UKLATCLVBIQKON-UHFFFAOYSA-N 437.485 2.124 0 40 IEAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 9783415 ZTXOPPUEMMVYHU-NSHDSACASA-N 425.474 2.019 0 40 IEAB CSCC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)N1C(=O)c2ccccc2C1=O 9791579 OMJGENZJUPRUFZ-KRWDZBQOSA-N 437.477 2.269 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)COc2ccccc2)C[C@]12Cc1ccccc1C(=O)N2 12126603 DRZPAMVOWNTFNP-NBGIEHNGSA-N 435.524 2.163 0 40 IEAB CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 12221081 XWOINGJWLHJMBG-LJQANCHMSA-N 443.573 2.340 0 40 IEAB C[C@@H]1Sc2ccc(C(=O)OCC(=O)NC(=O)NCCc3cccs3)cc2NC1=O 12891247 OVJQMZMLCCMPPC-NSHDSACASA-N 433.511 2.406 0 40 IEAB COc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(OC)cc1C 13568779 XCYKHOMGXYNDMS-UHFFFAOYSA-N 434.514 2.247 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NC3CCC(O)CC3)c12 14180243 SZBDCPFBLJEQCV-PCKAHOCUSA-N 432.546 2.010 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)c1C 16498894 MQXOKOLFQHRZAK-UHFFFAOYSA-N 427.530 2.338 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCOCC3)c2)cc1 17171377 SWHXOOSWNZNYLV-UHFFFAOYSA-N 447.557 2.338 0 40 IEAB COCCn1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2ccc(F)cc2)CC1 19594121 RFEAXLYYRPGYGN-OAQYLSRUSA-N 426.496 2.379 0 40 IEAB NC(=O)c1cc([C@@H]2CN(C(=O)CCn3ncc4c3CCCC4)CCO2)nc2ccccc12 19762198 NQENWSQSGANDLJ-QFIPXVFZSA-N 433.512 2.399 0 40 IEAB CCOC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CN1CCN(c2ccccc2)CC1 19897449 BQUQRTBDSLNWCK-UHFFFAOYSA-N 448.527 2.264 0 40 IEAB COc1ccc(CCN(C)C(=O)CCc2c(C)nc3c(C(N)=O)ncn3c2C)cc1OC 30865940 XVWFJUAQUBAWOM-UHFFFAOYSA-N 439.516 2.096 0 40 IEAB COc1ccc(OC)c(CN2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)c1 32843783 XYIDPAWNHAGWSY-LJQANCHMSA-N 427.501 2.371 0 40 IEAB COC(=O)C1CCN(S(=O)(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CC1 48366567 DLJPHISCYSRCPW-UHFFFAOYSA-N 435.502 2.102 0 40 IEAB CC(C)N(C(=O)COC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccccc1 95945568 MYVGJWPLSZKJDY-OAHLLOKOSA-N 429.498 2.098 0 40 IEAB O=C(c1ccsc1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ccccn3)C[C@@H]2C1 96251479 ZDFPQTNDOVWGEE-CVDCTZTESA-N 440.569 2.361 0 40 IEAB Cc1nc2cc([C@H]3CCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)nn2c(O)c1C 100138707 DOEDHZUWNITDJG-GOSISDBHSA-N 428.514 2.361 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323016 MRDAOXJAYMRFQF-IAGOWNOFSA-N 437.521 2.392 0 40 IEAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)c1 107740975 XISOJAHHZCJVMW-UHFFFAOYSA-N 445.541 2.207 0 40 IEAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)c1 139008875 TWJBHVXKBLOXBX-INIZCTEOSA-N 440.452 2.441 0 40 IEAB Cc1cc2ncc(CCCNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cn2n1 206823401 XGASGUOAOTVLFJ-UHFFFAOYSA-N 427.530 2.185 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CCC(Oc4cc(C)oc(=O)c4)CC3)CC2=O)cc1 206971887 XJCJDLQJXCUPTR-MRXNPFEDSA-N 426.469 2.380 0 40 IEAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222411638 PFMWAFTUDDGJHC-SFHVURJKSA-N 431.558 2.233 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 222714156 ALGDSCGGWFHEHS-SFHVURJKSA-N 445.585 2.471 0 40 IEAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc4c(c3)OCO4)s2)cc1 223918215 MUYGARWTSFSHFU-UHFFFAOYSA-N 432.483 2.306 0 40 IEAB Cc1cccnc1Nc1cccc(C2CCN(CC(=O)N3CCC(C(N)=O)CC3)CC2)n1 257202696 AMXHERRQELPTGQ-UHFFFAOYSA-N 436.560 2.432 0 40 IEAB CC(=O)N1CCN(C(=O)c2cccc(OCCN3CCOCC3)c2)C[C@H]1c1ccccc1 257231556 GHGCKNIVDURWOK-DEOSSOPVSA-N 437.540 2.443 0 40 IEAB CC1(C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)CCN(C(=O)c2ccccc2)CC1 257259729 KZSBEAJCRZSDPD-JOCHJYFZSA-N 448.567 2.127 0 40 IEAB Cc1nonc1C(=O)NCC(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257277208 NWWMYHZVGCKOQH-HNNXBMFYSA-N 427.436 2.232 0 40 IEAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC[C@H]1CCCN3CCCC[C@@H]13)C=C2 504049799 IPOAWKNNMBGULF-QUCCMNQESA-N 427.545 2.440 0 40 IEAB biogenic O=C(CN1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1)Nc1cc(-n2cnnn2)ccc1F 538661964 JZWILFOTRGRIFE-MRXNPFEDSA-N 447.478 2.405 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)cc1Cl 1565520810 RQHBGIMLDXYYAL-UHFFFAOYSA-N 448.936 2.173 0 40 IEAB CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c1c(=O)n(C)c(=O)n2C 880860 KYDXLEVWVUCDDH-UHFFFAOYSA-N 429.546 2.500 0 40 IEAB O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccn2)CC1 2952257 IPPMWRHWVWZESI-UHFFFAOYSA-N 441.491 2.096 0 40 IEAB COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(=O)OC)c1 3312871 YQDGBSATYIUSTD-UHFFFAOYSA-N 446.481 2.297 0 40 IEAB Cc1c(CC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 9418728 VIACYEDNQRAGQY-JOCHJYFZSA-N 433.526 2.441 0 40 IEAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1 9491537 FSFWFUQWYNNJCR-SFHVURJKSA-N 443.569 2.463 0 40 IEAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1 9606166 XCWRDXNDHSTWOQ-UHFFFAOYSA-N 432.571 2.316 0 40 IEAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 9613923 HLPXVQZPQINDSW-QGZVFWFLSA-N 429.432 2.448 0 40 IEAB COc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@H]32)c1 9674932 HWVXWRSNFDDDHB-ROUUACIJSA-N 443.847 2.289 0 40 IEAB CCc1nc2ccccc2n1CC(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 9714906 WDQJJUSNUYMMKV-OAQYLSRUSA-N 434.496 2.252 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2cc(C)ccc2C)cc1 10283245 VQMJJEMAABCLJM-UHFFFAOYSA-N 429.542 2.108 0 40 IEAB O=C1NC2(CCN(S(=O)(=O)c3cccc(F)c3)CC2)C(=O)N1Cc1ccc(F)cc1 11694156 AZBKSQFGRJXKFU-UHFFFAOYSA-N 435.452 2.240 0 40 IEAB CCOc1ccc(N2C[C@H](C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)CC2=O)cc1 12184071 KWXDAWVOFIUTHR-QGZVFWFLSA-N 446.507 2.233 0 40 IEAB C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12528419 UQNDCMWUWXOVPC-JWAFFJSPSA-N 425.466 2.466 0 40 IEAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12551522 UWHUUSNJOSJYEF-GFCCVEGCSA-N 433.515 2.043 0 40 IEAB Cc1cc(C(=O)OCC(=O)NC2CCCC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 12695685 MVOUSZVMCDZZIC-UHFFFAOYSA-N 433.530 2.016 0 40 IEAB O=C([C@@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 12894260 FDLDFNBJQQOITA-KRWDZBQOSA-N 440.880 2.152 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C[C@]34C=C[C@H]2O4)cc1 12895541 RWGPKGVITQZWFM-PTGPVQHPSA-N 448.475 2.069 0 40 IEAB COc1ccccc1CNC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12936634 XDUITUIIZCMYJY-QGZVFWFLSA-N 449.548 2.236 0 40 IEAB Cc1ccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccccc2)cc1Cl 13675152 YWTBZUVDWTYPKN-UHFFFAOYSA-N 435.933 2.144 0 40 IEAB O=C1C[C@@H](NC2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 15080790 QXPAJEDHDJWFNJ-LJQANCHMSA-N 447.944 2.415 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@H](CCSC)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 15957463 ALQIGNTUYHXJKW-YWNPBTLJSA-N 437.521 2.373 0 40 IEAB biogenic O=C(c1cnccn1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343645 OSQVHMQBJKBZCV-OAHLLOKOSA-N 436.541 2.200 0 40 IEAB CC[C@H](C)N1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1 19499917 PUJXXFUBRSZFKN-JTSKRJEESA-N 436.560 2.315 0 40 IEAB CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)c2cnccn2)CCO1 19529335 SDRHQPMNFJOQSI-XMMPIXPASA-N 431.496 2.129 0 40 IEAB Cc1ccc(C(=O)N2CCC[C@H](N3C(=O)NC4(CCN(C(=O)C(C)C)CC4)C3=O)C2)s1 19699593 ANNJHZBABMTWJB-INIZCTEOSA-N 446.573 2.230 0 40 IEAB CNC(=O)[C@@]1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)CCc2nc(C)no2)C1 19703565 XBIULEJWAKBSSJ-JOCHJYFZSA-N 441.463 2.312 0 40 IEAB O=P([C@H](c1c[nH]c2ccccc12)N1CCOCC1)(N1CCOCC1)N1CCOCC1 19848938 ALRMUAGBCZVUJC-OAQYLSRUSA-N 434.477 2.356 0 40 IEAB COc1ccc2[nH]cc(CCNC(=O)Cn3cnc4cc(OC)c(OC)cc4c3=O)c2c1 20760954 CNZSXLBJAKLVAY-UHFFFAOYSA-N 436.468 2.263 0 40 IEAB biogenic COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1Cl 22246762 KFMRYLSXNBINCG-SFHVURJKSA-N 438.933 2.097 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2F)C(=O)N2CCN(C)CC2)cc1 22996814 SSWAVUVZYIRWIC-UHFFFAOYSA-N 448.520 2.131 0 40 IEAB O=C(c1cccc(S(=O)(=O)NCc2cccs2)c1)N1CCN(C[C@H]2CCCO2)CC1 23864662 DQDMRDAVXHPLHL-GOSISDBHSA-N 449.598 2.163 0 40 IEAB CCOc1ccc(N2C(=O)/C(=C\N[C@@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)cc1 24014598 HOEHIDVOPNLMSJ-CTFRJJSNSA-N 426.494 2.390 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CN3C(=O)CCSC3=O)CC2)c1C 25562731 NGBFDCGBMPKQIW-UHFFFAOYSA-N 425.576 2.270 0 40 IEAB Cc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)cc1 27663097 ASCYGYFZSUOLDI-AWEZNQCLSA-N 448.566 2.480 0 40 IEAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(O)c2)N1[C@@H]1CCS(=O)(=O)C1 27757603 RMZWSYCVHIGJJN-ZUOKHONESA-N 425.466 2.220 0 40 IEAB CCc1ccccc1NC(=O)CNC(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 27864500 NTMBHXOXZKFQMO-JOCHJYFZSA-N 444.438 2.049 0 40 IEAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 28241437 KIWNMTIIGZFUKZ-INIZCTEOSA-N 432.498 2.491 0 40 IEAB Cc1nn(C)c2c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc(C(C)C)nc12 28557731 DLYIDHYMQAPJCW-UHFFFAOYSA-N 432.525 2.445 0 40 IEAB COC(=O)c1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C 33499542 IMVTVTLQGQNHPO-UHFFFAOYSA-N 439.497 2.263 0 40 IEAB CSc1nnc(C)n1NC(=S)NC(=O)c1ccccc1I 33788481 XEYRFBITBZSSSC-UHFFFAOYSA-N 433.300 2.171 0 40 IEAB CCOC(=O)c1csc(NC(=O)Cn2nc(-c3cc(OC)ccc3OC)ccc2=O)n1 56901045 UVMHMGXGHBVMPP-UHFFFAOYSA-N 444.469 2.199 0 40 IEAB CN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)Cc1c(F)cccc1Cl 58160177 NZJWRXNEKBAULJ-UHFFFAOYSA-N 444.894 2.285 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)C3CN(C(=O)COc4ccccc4F)C3)CC2)cc1 70637454 OXCVJAZROMIDPM-UHFFFAOYSA-N 439.487 2.214 0 40 IEAB Cc1noc(C)c1CSc1ncccc1C(=O)NCCCn1nc2n(c1=O)CCCC2 72271228 VAMDSURONPAUDB-UHFFFAOYSA-N 442.545 2.493 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H]2Cc2c(C(N)=O)sc3ccccc23)CC1 72370340 AHVFDYADQKFVLO-HNNXBMFYSA-N 449.598 2.205 0 40 IEAB Cc1nsc(N2CCCN([C@@H](C)C(=O)NCC(=O)Nc3c(C)cccc3C)CC2)n1 78947819 RHUDLRPFZSEFHU-INIZCTEOSA-N 430.578 2.119 0 40 IEAB COc1ccc(CC(=O)N2CCC3(CC2)CC[C@@]2(C(=O)N(C)C)CN(C(C)=O)C[C@@H]32)cc1 96143795 NGPPJNITCRHDEW-SQJMNOBHSA-N 441.572 2.193 0 40 IEAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21)Nc1ccccc1Cl 101352912 XSOZGOLLDNCZCO-MSOLQXFVSA-N 441.831 2.043 0 40 IEAB COCCNS(=O)(=O)Cc1cccc(NC(=O)CCn2ncc3cc(C)ccc32)c1 223237366 JNYNZJLNLADVNV-UHFFFAOYSA-N 430.530 2.439 0 40 IEAB COc1ccc(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1Cl 225244828 GJVHYAOFNDHTSO-CQSZACIVSA-N 440.905 2.071 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1 225854856 SFRFMWFDIPDUDL-UHFFFAOYSA-N 431.558 2.164 0 40 IEAB O=C1CCc2cc(S(=O)(=O)NC[C@](O)(c3ccoc3)c3cccs3)cc3c2N1CC3 244986231 JLQDNEHDUIIOPT-NRFANRHFSA-N 444.534 2.391 0 40 IEAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)CC1 408610702 VJJDCGIWUZYCFB-MRXNPFEDSA-N 440.562 2.190 0 40 IEAB NC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 408700796 LZPKZPODRIONGB-UHFFFAOYSA-N 427.954 2.242 0 40 IEAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)CCC(=O)O)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585262458 SUWRADASWNUQGD-VKGYTVAMSA-N 430.476 2.188 0 40 IEAB O=C1CN2CCN(C(=O)C3CCOCC3)C[C@H]2COc2ccc(-c3cccnc3)cc2N1 1772594740 VMIIVGGGDHEWJB-FQEVSTJZSA-N 436.512 2.019 0 40 IEAB CC1(C)O[C@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(C(=O)CO)O1 1322804 YNDXUCZADRHECN-UMXIXDJXSA-N 434.504 2.419 0 40 IEAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccc(N2CCOCC2)cc1 1330613 HSNPFZHCHJKVMM-UHFFFAOYSA-N 448.458 2.197 0 40 IEAB O=C(Cn1nc(-c2ccc3c(c2)OCCO3)ccc1=O)Nc1ccc(N2CCOCC2)cc1 4093558 DSYOZTAAWKMFSY-UHFFFAOYSA-N 448.479 2.157 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)NCc1ccc3c(c1)OCO3)CC2 8764417 ZILSOPSLWGRGEQ-AWEZNQCLSA-N 441.484 2.205 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 8979475 XSOAIFVBEZWTLU-KRWDZBQOSA-N 427.482 2.013 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1C 9227692 PUIBARDCCSLSKF-QGZVFWFLSA-N 446.525 2.449 0 40 IEAB CCn1cc2nc(SCC(=O)N3CCCC3)n(Cc3ccc(OC)cc3)c(=O)c2n1 9299854 OHKUVFPEQXOMJN-UHFFFAOYSA-N 427.530 2.384 0 40 IEAB O=C(CN1C(=O)S/C(=C\C(Cl)=C\c2ccccc2)C1=O)N[C@@H]1C=CS(=O)(=O)C1 9347910 QJCCVJVIDGPUKV-ZVYNFTEKSA-N 438.914 2.273 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1C 9441938 NHJLABWYTBGKJP-FQEVSTJZSA-N 445.516 2.081 0 40 IEAB COc1ccc(CCNC(=O)[C@H](C)NC(=O)[C@@H]2CS[C@H]3c4ccccc4C(=O)N32)cc1 9510972 QVLNUPBJGONAPC-FAHJTYSBSA-N 439.537 2.129 0 40 IEAB Cn1c(N)c(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)c(=O)n(C)c1=O 9597174 ZEABDMQVLRJFOH-UHFFFAOYSA-N 449.536 2.234 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 9612737 CNRJZEQLIMJDCA-UHFFFAOYSA-N 437.543 2.151 0 40 IEAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)c1ccc(Cn3cnnn3)cc1)c1ccccc1O2 12086481 YTIRULWIRRDAGJ-RDPSFJRHSA-N 446.511 2.356 0 40 IEAB COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)C[C@H]2c2cc(O)nc(C)n2)cc1 12163587 YGQAXSIUTVTNNH-YZGWKJHDSA-N 438.528 2.466 0 40 IEAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1nc2nc(C)cc(C)n2n1 12185223 GISJQYMQDITKNP-HNNXBMFYSA-N 437.529 2.164 0 40 IEAB CCONC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 12622871 ZURQLYCEYIYISB-UHFFFAOYSA-N 426.720 2.070 0 40 IEAB COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)c1 12711877 BWCOEUTZEIZGAI-UHFFFAOYSA-N 426.458 2.138 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 12757542 GZTHSRUGBPYCDT-KRWDZBQOSA-N 427.530 2.200 0 40 IEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(CN2CCSC2=S)CC1 12935746 KZWWTOWXKJUPHD-UHFFFAOYSA-N 425.523 2.303 0 40 IEAB CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1 13010779 ZUBKYOJAFDWQDC-UHFFFAOYSA-N 449.460 2.477 0 40 IEAB COC(=O)Cn1nnc2c(sc3nc(N4CCCC4)c4c(c32)CC(C)(C)OC4)c1=O 13736076 DSDOIBGZGUHAAG-UHFFFAOYSA-N 429.502 2.026 0 40 IEAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1 13847227 LUJWLQYTSLNWJJ-UHFFFAOYSA-N 445.541 2.344 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)cc1 14641894 OCTZOEUFXXNEOS-MSOLQXFVSA-N 432.542 2.343 0 40 IEAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@H]1CCS(=O)(=O)C1 16872464 DMGFIWIZMAQDDB-CBAPKCEASA-N 442.872 2.185 0 40 IEAB Cc1ccc(-c2c(-c3cc(C)no3)cnn2CCNC(=O)CN2C[C@@H](C)O[C@H](C)C2)cn1 19214986 PWPJESFCQPWAJN-QZTJIDSGSA-N 438.532 2.442 0 40 IEAB Cc1cccc(-c2ccc(C[C@@H]3CN(C(=O)CN4CSCC4=O)CCNC3=O)cc2)c1 19235407 CGCHSUHNNIYDRH-OAQYLSRUSA-N 437.565 2.312 0 40 IEAB CNc1nc(C2CCNCC2)nc2c1CCN(S(=O)(=O)c1cc(C)c(OC)cc1C)C2 19710902 NNPMNUXJFSENLM-UHFFFAOYSA-N 445.589 2.358 0 40 IEAB COCCNC(=O)CN1CC[C@@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)C1 19738847 ZQTDMCVLEIWUAW-LJQANCHMSA-N 443.592 2.196 0 40 IEAB O=C(c1ccncc1)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 20744541 OMQUCSQUDYPVQK-INIZCTEOSA-N 446.429 2.438 0 40 IEAB CN(Cc1cccc(Cl)c1Cl)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 21198186 UTBHABGPJAYXEU-GFCCVEGCSA-N 432.329 2.117 0 40 IEAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 22797023 MSACFLXFXZLTNA-UHFFFAOYSA-N 442.560 2.297 0 40 IEAB Cc1nn(CC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(=O)c2ccccc12 24809576 CCBFILYDVBZDJV-UHFFFAOYSA-N 431.418 2.468 0 40 IEAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCN(CCn2c(C)ccc2C)CC1 26295383 UKTFNNXBSBPGIH-UHFFFAOYSA-N 445.995 2.439 0 40 IEAB CN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(c1ccccc1)c1ccccc1 32969849 ALZCYXMMRRYMCA-WOJBJXKFSA-N 426.538 2.270 0 40 IEAB C[C@@H](NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C(=O)Nc1nccs1 36575606 MGJUCMUITZOPKI-CYBMUJFWSA-N 426.502 2.119 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccn1 48325224 PVUVAIBYYMJBFR-IBGZPJMESA-N 439.541 2.293 0 40 IEAB O=C1N[C@]2(CCc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)N1CCC[C@H](O)C1 72334412 HZXCRHFYXGTTKO-RZPFDVGOSA-N 433.552 2.217 0 40 IEAB Cc1cc(C)n([C@H](C)CC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338839 CSPGFEGRXJMPOI-IERDGZPVSA-N 431.562 2.420 0 40 IEAB CCCS(=O)(=O)N1CCC2(CC1)C[C@@H](CC(=O)N1CCN(C)CC1)c1ccccc12 96242260 GPRNVDBLDWQSTK-LJQANCHMSA-N 433.618 2.411 0 40 IEAB CC[C@@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)C1 100234548 YZOGPDJYYXDKDB-GDBMZVCRSA-N 425.533 2.482 0 40 IEAB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCN(C)c3ccccc3)cc2)CC1 219973591 VWFBYQRTEBYQTM-UHFFFAOYSA-N 444.601 2.020 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)COc3ccc(F)cc3F)C2)nc2c1CN(C(C)=O)CC2 257281702 OQORQXNAKSRMML-AWEZNQCLSA-N 445.470 2.096 0 40 IEAB CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@H](Cc2cccc3cccnc23)C1 257304308 SKZBOLJVQMJVLQ-HXUWFJFHSA-N 432.572 2.468 0 40 IEAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccccc1OCc1nonc1C 257338340 YWYLKNDNMBHGGX-OAQYLSRUSA-N 449.511 2.030 0 40 IEAB O=C(C1CCC1)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(Cc1cccnc1)CC3 306141736 WEYNCECRAUZPAD-UHFFFAOYSA-N 433.556 2.162 0 40 IEAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)COc2ccccc2)c1 408572105 GUARNRHJQDJQJM-UHFFFAOYSA-N 442.541 2.117 0 40 IEAB NS(=O)(=O)c1cnn(CCC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 523852872 YAHPXOKCDBIJHH-UHFFFAOYSA-N 437.909 2.121 0 40 IEAB CN1CCOc2ccccc2CCCC[C@@]2(CCCN(C(=O)CN3CCOCC3)C2)C1=O 643561463 MZSGSKXDPSDOHA-VWLOTQADSA-N 443.588 2.191 0 40 IEAB COC[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)[C@H]1CCCO1 1227424905 BJJHXIZSEUBEGH-ZJPYXAASSA-N 443.466 2.427 0 40 IEAB COc1cc(-c2cc(C(=O)N3CCC(N4CC[C@H](OC)C4)CC3)n[nH]2)cc(OC)c1OC 1565523349 LYBVRDQTMGDXIB-KRWDZBQOSA-N 444.532 2.428 0 40 IEAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1 1363853 IXSFKBGLBJWOJG-INIZCTEOSA-N 426.502 2.010 0 40 IEAB CC(=O)N1CCN(C(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c3ccccc32)CC1 8865338 BRADFIFBECZLMY-UHFFFAOYSA-N 439.537 2.473 0 40 IEAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O 9190881 GSQAKOXNSFYNAP-KRWDZBQOSA-N 443.525 2.008 0 40 IEAB O=C(NCc1ccc(N2CCOCC2)nc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 10719896 IJDPQOFBTYVRIC-IBGZPJMESA-N 426.492 2.226 0 40 IEAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)c2cncc(O)c2)CC1 12133030 XARWEANRHPTOHD-UHFFFAOYSA-N 439.497 2.063 0 40 IEAB COc1ccc(CNC(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1C(=O)O 12852081 NKLOPICWWHFJJS-UHFFFAOYSA-N 438.477 2.250 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 12986490 TXAHKMZAYKWNMX-HOYKHHGWSA-N 437.496 2.451 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 14141431 NVGXPYSYSYPRPP-KRWDZBQOSA-N 449.529 2.485 0 40 IEAB O=C(CN1CCN(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1)N1CCCC1 14246611 WHZHXWSBHYISLV-UHFFFAOYSA-N 444.539 2.315 0 40 IEAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCN(C)CC3)c(=O)[nH]c12 19236467 RNCVKXUHVTVXPN-QFIPXVFZSA-N 447.518 2.347 0 40 IEAB O=C(C[C@H]1CCCO1)N1CCC[C@H]1c1nn(CCO)cc1-c1ccnc(N2CCCC2)n1 19404147 HQOHOQPEUPYBRE-XLIONFOSSA-N 440.548 2.165 0 40 IEAB C[C@@H]1CCc2c(sc3ncn(C4CCN(C(=O)CN5CCCC5=O)CC4)c(=O)c23)C1 19497203 KYQYYQYVPIGTSP-CQSZACIVSA-N 428.558 2.369 0 40 IEAB Cc1nn(C)c(C)c1CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(F)cc2)ccc1=O 19751545 LEWIKRGKUJSDKK-UHFFFAOYSA-N 425.464 2.249 0 40 IEAB CNC(=O)c1cn(C)nc1CC1CCN(CC(=O)Nc2nc3c(s2)C[C@H](C)CC3)CC1 19756630 FAXBFWGSPZAARS-CQSZACIVSA-N 444.605 2.254 0 40 IEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCN2C(=O)c2ccnn2C)cc1 19766763 FKJSUBMLOSGJQT-LJQANCHMSA-N 434.500 2.434 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCN(C)CC3)cc2C)cc1 22933916 UUXNWTYTEFKSLY-UHFFFAOYSA-N 444.601 2.472 0 40 IEAB COc1cccc([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCOCC2)c1 23107159 HJMPPZLTADINJL-FQEVSTJZSA-N 431.920 2.155 0 40 IEAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(Br)c1 24985620 VXHXODQIUSLQKD-HIFRSBDPSA-N 443.319 2.150 0 40 IEAB Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc(S(=O)(=O)N(C)C)c1C 32809123 NBHIKDYSNVFVOB-OAHLLOKOSA-N 436.559 2.254 0 40 IEAB Cc1nc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c2c(C)c(C)sc2n1 32829888 ZUKIQVCAWYMUAW-BETUJISGSA-N 439.607 2.093 0 40 IEAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c2ccc(F)cc21 36353682 SLYBPTRMKSFDHF-OAQYLSRUSA-N 426.448 2.204 0 40 IEAB CSc1ccc(CNC(=O)Cn2nc3c(N4C[C@H](C)C[C@@H](C)C4)nccn3c2=O)cc1 49400330 IKBGKHUGDIHXNR-HZPDHXFCSA-N 440.573 2.412 0 40 IEAB CCn1cc([C@H]2C[C@@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)c(C)n1 72335044 JESOFLVDRMRJSG-XAUDKBNISA-N 449.621 2.124 0 40 IEAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 72352468 YTCUOKDCAXHWKQ-OAHLLOKOSA-N 429.542 2.216 0 40 IEAB CCCN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@@H]1C[C@H](OCC)C12CCCCC2 78876574 PVHSJTZQLWETLT-MSOLQXFVSA-N 432.565 2.476 0 40 IEAB CCn1nc([C@H](C)C(=O)N2[C@@H]3CC[C@@H]2Cc2c(O)nc(C)nc2C3)c2ccccc2c1=O 100219917 RQGCFOASUHLCHF-NUEKZKHPSA-N 433.512 2.482 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc1 101166003 JEAMLODEPAPNNB-MSOLQXFVSA-N 443.847 2.289 0 40 IEAB C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222918716 NTZADIDIODPDSE-IBGZPJMESA-N 427.520 2.234 0 40 IEAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225049682 OSASOASPUOGBKW-LJQANCHMSA-N 445.585 2.439 0 40 IEAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(F)c2)c1 225116619 QNLWLEOEQSVDBB-UHFFFAOYSA-N 425.434 2.379 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21 225127807 OJEUPPOSIQOSCG-UHFFFAOYSA-N 447.538 2.356 0 40 IEAB COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)cc1C(N)=O 225958250 NESNRVGESBVZNK-UHFFFAOYSA-N 425.894 2.143 0 40 IEAB Cn1c(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)cc(=O)n(C)c1=O 257257114 KODHMPYLFRCUPG-MRXNPFEDSA-N 428.876 2.294 0 40 IEAB Cc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 260934969 NUEMKZYXTMFYOA-JKSUJKDBSA-N 438.571 2.430 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)NCc3nnc4n3CC[C@@H](C(F)(F)F)C4)CC2=O)c1 575607685 OLSVQLUNJSBEKT-QWHCGFSZSA-N 437.422 2.081 0 40 IEAB Cc1nccn1CC(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643556086 ITLWHFHKURGSBV-DEOSSOPVSA-N 440.544 2.053 0 40 IEAB NCCCC[C@@H](N)C(=O)N1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1 643556579 MMZZBCDSESSKJZ-OAQYLSRUSA-N 444.620 2.363 0 40 IEAB Cc1[nH]c(=NCc2cnn(Cc3ccc(C(F)(F)F)nc3)c2)nc2c1NC(=O)[C@H](C)N2C 1857524069 KKHCZENFFDIZHM-LBPRGKRZSA-N 446.437 2.254 0 40 IEAB COc1ccc(OC)c(/C=c2\sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)c1 2370967 UMUZTVVPCQZGDR-WQRHYEAKSA-N 425.466 2.400 0 40 IEAB CO[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@H](N(C)C(C)=O)[C@H]1OC(=O)c1ccccc1 5081309 MEOHSCVFABBNRA-GJPOJAMWSA-N 427.453 2.287 0 40 IEAB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 8751957 ACFYGAKKLWRIMY-UHFFFAOYSA-N 426.473 2.293 0 40 IEAB O=C(Nc1nnc(SCC(=O)N2CCCC2)s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 8908536 HCCCKMDBSHPGIY-GFCCVEGCSA-N 449.533 2.383 0 40 IEAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 9447556 CGFFKYWHDCYYEY-CQSZACIVSA-N 444.509 2.129 0 40 IEAB COc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccccc2F)c(=O)[nH]1 9518087 LVDNKGAPKAZHMH-UHFFFAOYSA-N 443.460 2.483 0 40 IEAB O=C(NCc1nnc2ccccn12)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 9766446 OKKMVEHOLZLNBI-UHFFFAOYSA-N 433.493 2.411 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C 10454021 WJLBLXQEMONXDQ-UHFFFAOYSA-N 446.481 2.442 0 40 IEAB COc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)cc1OC 11859165 XFIDXAICANIFSG-RLFYNMQTSA-N 425.363 2.203 0 40 IEAB CCOc1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1OC 12184591 RUVMMODAMCRBRI-HOTGVXAUSA-N 428.533 2.349 0 40 IEAB CC(C)(C)NC(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 12554981 GYOKTGHJGHAWNR-UHFFFAOYSA-N 428.580 2.363 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc(F)cc1)N1CCC[C@H]21 13555839 RCOXOIANDIFCLC-IYWMVGAKSA-N 436.439 2.447 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 13683562 INENAZFBYDVFJV-CQSZACIVSA-N 431.942 2.104 0 40 IEAB O=C(CN1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1)Nc1cccc(F)c1 14306144 NBJRVVOGNDEHFP-SFHVURJKSA-N 438.503 2.500 0 40 IEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 14932254 NCBWJZRRFWVKQJ-ZDUSSCGKSA-N 429.502 2.328 0 40 IEAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(OCC(N)=O)cc1)N(CCN(C)C)C3=O 16742433 YQWRJKZKSPXUSZ-QFIPXVFZSA-N 449.507 2.381 0 40 IEAB CCCn1c(=O)n(CCC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 17853707 NJSXWCUJJWOGMC-OAHLLOKOSA-N 430.530 2.128 0 40 IEAB C[C@H](C(=O)N(C)CCc1ccccc1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 19077426 XBDAPTSZBZVFQA-MZNJEOGPSA-N 435.528 2.035 0 40 IEAB O=C(Cc1ccccc1F)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 19348044 QERYMFSKTUYDGX-QGZVFWFLSA-N 438.503 2.152 0 40 IEAB COc1cccc2c1O[C@@H](CN1CCN(C[C@@H]3COc4cccc(OC)c4O3)CC1)CO2 19365949 KHRMPWAELMUFBE-HDICACEKSA-N 442.512 2.301 0 40 IEAB COc1cccc(S(=O)(=O)N2CCO[C@H](c3c(C(N)=O)sc4ncccc34)C2)c1 19702767 LOHSPGLGTNUGAC-HNNXBMFYSA-N 433.511 2.166 0 40 IEAB CNc1nc(C2CCNCC2)nc2c1CCN(C(=O)CN(C)Cc1ccc(OC)cc1)C2 19710916 OORLTPICOVYOIL-UHFFFAOYSA-N 438.576 2.011 0 40 IEAB COC(=O)c1c(NC(=O)CSc2nnc(-c3ccoc3C)n2C)sc(C(N)=O)c1C 20295049 KWXGFNUCLWPJQN-UHFFFAOYSA-N 449.514 2.370 0 40 IEAB Cc1ccc(N2N=C(C(=O)NCc3ccc(CN4C[C@H](C)O[C@H](C)C4)cc3)NCC2=O)cc1 25857713 LGDNAOUKDKHFQZ-KDURUIRLSA-N 449.555 2.170 0 40 IEAB C[C@H]1CN(CCCNC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 26333330 BUQZFYRCHPHTNZ-GASCZTMLSA-N 445.391 2.479 0 40 IEAB CCCn1c(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nc2c(C)nn(C)c2c1=O 28557154 GCKMVMAJMGLPRQ-UHFFFAOYSA-N 442.951 2.393 0 40 IEAB COc1cc2ncn(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c2cc1OC 32070760 RKWOKOPHPFELPV-UHFFFAOYSA-N 440.475 2.292 0 40 IEAB CN(C(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 33539803 AGQWVDMCQVCPOC-SJWLEHQBSA-N 428.919 2.022 0 40 IEAB O=C(CN(Cc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2)NC1CCCC1 35289238 LZTQXDYEQTXFNC-UHFFFAOYSA-N 427.457 2.077 0 40 IEAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 48302390 MCZBZHUZAGLEHR-IBGZPJMESA-N 441.503 2.415 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl 57414990 DLRFOLQYGVKTPE-HXUWFJFHSA-N 441.919 2.338 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3cccs3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 63390402 CDEHTROZQHCAPW-IRXDYDNUSA-N 440.974 2.467 0 40 IEAB O=C(NCCO)c1sc2ccccc2c1[C@H]1CCN(C(=O)CN2CCCCCC2=O)C1 72352255 CBVOMCODHLDLNJ-INIZCTEOSA-N 443.569 2.342 0 40 IEAB CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)CC[C@@H]4CCC(=O)N4)CC3)nc2)cn1 72374138 QGVKQZJSMGJZJV-IBGZPJMESA-N 435.528 2.268 0 40 IEAB O=C1CN(S(=O)(=O)c2ccc(C(=O)OCc3cc4c(Cl)cccc4[nH]3)cc2)CCN1 79017975 RGZVTFQTMRZHLQ-UHFFFAOYSA-N 447.900 2.299 0 40 IEAB COC(=O)CCCCCS(=O)(=O)NCCCN1CCN(c2cccc(C)c2)CC1 97166195 DZXLNIJIBKWPTF-UHFFFAOYSA-N 425.595 2.160 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1Cl 100033089 PGIKYWJVLCQYQP-DLBZAZTESA-N 431.811 2.420 0 40 IEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2)nc(C)n1 102314750 JWKHEYBKKYDHPM-QAMTZSDWSA-N 442.497 2.356 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc1OC 103256237 QZNFBPRTFGRLIS-PZXGGYRZSA-N 429.517 2.412 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc(C(C)=O)c2)cc1 138513991 SATPZROQILLGPW-UHFFFAOYSA-N 446.481 2.193 0 40 IEAB COc1ccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)cc1 225159192 HDOUZJFYDKRFHI-UHFFFAOYSA-N 448.526 2.465 0 40 IEAB COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H]2c2ccc3c(N)n[nH]c3n2)cc1 257238168 HJWCHHLMJLZWNE-QGZVFWFLSA-N 429.502 2.076 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)CCc2ccnn2C)CC1 257267025 MFRAMQBLZCXJOH-WPFOTENUSA-N 426.561 2.189 0 40 IEAB Cc1cc(C(F)(F)F)nc([C@H]2CCN(C(=O)COc3cccc(-n4cnnn4)c3)C2)n1 257287380 PPRKKIAKSVFPBL-ZDUSSCGKSA-N 433.394 2.174 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)c1 408651812 BGNYCBLBCSPNEM-AWEZNQCLSA-N 428.441 2.247 0 40 IEAB O=C(CSCC(=O)NCc1nc2ccc(F)cc2[nH]1)NCc1nc2ccc(F)cc2[nH]1 536021728 KJJJJKFAAKNAKR-UHFFFAOYSA-N 444.467 2.383 0 40 IEAB O=C(NCc1cc(-c2ccccc2)ncn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 585357788 LARNHEXNAVXNAB-UHFFFAOYSA-N 438.509 2.095 0 40 IEAB C[C@@H]1Cc2ccccc2N1C(=O)CS(=O)(=O)Cc1cc(=O)n2cc(Cl)ccc2n1 616030573 BFZDVGRFZRPRFR-CYBMUJFWSA-N 431.901 2.241 0 40 IEAB Cc1ccsc1S(=O)(=O)N1CCc2nc(C(=O)N=c3cc[nH]cc3)sc2CC1 1260064916 UQGBQJBXDJKKES-UHFFFAOYSA-N 434.568 2.372 0 40 IEAB Cc1ccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cn1 2055729629 AVXFLKKZAXYTHA-RDPSFJRHSA-N 434.544 2.065 0 40 IEAB COc1ccc(Nc2nc(N3CCN(S(=O)(=O)N(C)C)CC3)nc3ccccc23)cc1 6135744 HTYZDMVFNIFKHR-UHFFFAOYSA-N 442.545 2.310 0 40 IEAB CCN(CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCCOC 6193396 OQYRUCZDUHKNGV-UHFFFAOYSA-N 448.589 2.312 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)NCc1ccccc1S(=O)(=O)N(C)C)CC2 10588327 VPMSAEHMTCQZAM-UHFFFAOYSA-N 433.530 2.222 0 40 IEAB CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1)[C@H]1CCS(=O)(=O)C1 10958211 XXHUDVOFUFNPOI-HIFRSBDPSA-N 435.571 2.248 0 40 IEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@@H](C(=O)OC)[C@@H]1c1ccc(NC(C)=O)cc1 12402747 GBZNBHUOKKUAFS-NHCUHLMSSA-N 428.485 2.237 0 40 IEAB Cc1c2c(=O)n(-c3ccc(F)cc3)nc-2cc(O)n1CCc1ccc(S(N)(=O)=O)cc1 12408218 IKJJRVAITNIFNP-UHFFFAOYSA-N 442.472 2.182 0 40 IEAB NC(=O)C1CCN(C(=O)CCC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)CC1 12409562 TXWQOGSSZCQIOY-UHFFFAOYSA-N 430.480 2.177 0 40 IEAB Cc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1C 13566838 CRJJYJYBNCFMFN-OAHLLOKOSA-N 430.530 2.287 0 40 IEAB O=C(CN(Cc1ccc(F)cc1)C(=O)c1csnn1)NCc1ccc2c(c1)OCO2 15936168 FOGKJDRVWCDQMH-UHFFFAOYSA-N 428.445 2.365 0 40 IEAB CC(C)c1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 19463463 PBMKZUGBXKALJQ-WBVHZDCISA-N 429.546 2.151 0 40 IEAB Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCCN1CCOCC1 19939377 COOCQXQKSONJFD-UHFFFAOYSA-N 434.500 2.412 0 40 IEAB CC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 20463333 XRDVAJWPQLEUTM-ROUUACIJSA-N 428.533 2.316 0 40 IEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CSc1ccccc1 20897015 RRFXFYNCWKDCPK-UHFFFAOYSA-N 438.527 2.220 0 40 IEAB COc1ccc([C@H](CNC(=O)CCNC(=O)OC(C)(C)C)N2CCOCC2)cc1OC 21199210 NAMHJRRKWQHPID-KRWDZBQOSA-N 437.537 2.108 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)s1 21490404 IJEIBYDSOTXUGW-AWEZNQCLSA-N 427.592 2.186 0 40 IEAB COC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc(C(=O)OC)c1 30755701 BTCIKKCYNBGVRI-UHFFFAOYSA-N 446.481 2.496 0 40 IEAB C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1nnc(-c2ccccc2)o1 32860326 IMZCCQWLCHMARQ-ZDUSSCGKSA-N 432.458 2.004 0 40 IEAB CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NCCNC(=O)c1ccco1 32908619 ZEYJDXKPWDHDOG-MRXNPFEDSA-N 436.306 2.343 0 40 IEAB CCC1(CC)NC(=O)N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 32963931 HGMRFXBVDNTFGZ-UHFFFAOYSA-N 426.439 2.465 0 40 IEAB COc1ccc(CN(C)C(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)cc1 32997809 XQJFIVXBHHAYRS-UHFFFAOYSA-N 428.485 2.214 0 40 IEAB COc1cc(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)cc(OC)c1OC 36394437 HOTBTZBNGRMRRE-UHFFFAOYSA-N 427.461 2.042 0 40 IEAB CN(CC(=O)NCCc1cc(Cl)c2c(c1)OCCO2)S(=O)(=O)c1cccs1 40018291 NMDJCWJDHNVPFB-UHFFFAOYSA-N 430.935 2.152 0 40 IEAB COc1ccc(N2Cc3nn(CC(=O)NCc4ccc(Cl)cc4)c(=O)n3C2=O)cc1 66087630 KEVSHSPVRWDEDM-UHFFFAOYSA-N 427.848 2.012 0 40 IEAB CCOc1ccccc1-n1ccn(CC(=O)NCCc2ccc(Cl)cc2)c(=O)c1=O 67256683 OJGMVNVHXPWATQ-UHFFFAOYSA-N 427.888 2.410 0 40 IEAB COC(=O)c1ccccc1NC(=O)CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O 71328294 VWCDBPTXQHARLO-UHFFFAOYSA-N 433.424 2.488 0 40 IEAB O=C1N[C@@]2(COC3(CCN(C(=O)c4ccc5c(c4)OCCO5)CC3)C2)Nc2ccccc21 72325181 MXRAJGQFFMFGIH-DEOSSOPVSA-N 435.480 2.405 0 40 IEAB CC[C@](C)(CNC(=O)CCNC(=O)OC(C)(C)C)NC(=O)CCNC(=O)OC(C)(C)C 79056124 USAXSWGWWGUEOT-OAQYLSRUSA-N 444.573 2.217 0 40 IEAB COCCn1cnc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)cc2c1=O 95480079 KVZPRZVMCFYTHR-OAHLLOKOSA-N 436.468 2.043 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)OCCNC(=O)NC(C)(C)C)cc1 95995864 HCBUFUHLAAEDHU-UHFFFAOYSA-N 427.567 2.291 0 40 IEAB COc1cccc(C(=O)N2CCC3(CC2)[C@@H]2CN(Cc4cccnc4)C[C@@H]2C(=O)N3C)c1 96143572 HUMBUCWOEFMUCN-FCHUYYIVSA-N 434.540 2.285 0 40 IEAB COc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)CC2)c1 96345424 CXZQOGMCXHJINE-OAHLLOKOSA-N 437.475 2.412 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220091817 WSRQYYFREUZGRX-ZDUSSCGKSA-N 428.457 2.323 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222606096 HDSSATXQGWWACH-KRWDZBQOSA-N 449.548 2.372 0 40 IEAB CC(C)Sc1nnc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)s1 223616411 GIIHEESTPYBVPD-UHFFFAOYSA-N 433.556 2.429 0 40 IEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1 225574093 YGJILNZFPONLNW-UHFFFAOYSA-N 431.558 2.407 0 40 IEAB CN1CCC[C@H](C(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)C1 257261340 LGXBOONGAKKKOO-ALJFMCDRSA-N 429.605 2.018 0 40 IEAB CCOc1cccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 260826496 BTYDVKSIIHNUGT-OAHLLOKOSA-N 434.514 2.500 0 40 IEAB COc1ccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)cc1 408626334 WPAMSKPEMUBYRT-UHFFFAOYSA-N 431.558 2.427 0 40 IEAB COC(=O)c1cccc(CN2C[C@@H]3C[C@@H](O)CN3C3(C2)CN(C2CCC(F)(F)CC2)C3)c1 514289269 KOUMWNSFRSGPLF-LEWJYISDSA-N 449.542 2.356 0 40 IEAB biogenic,in-vitro C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCCN(C)c2ccc(F)cc21 533393624 IAQNOCJVLLEBMA-CQSZACIVSA-N 432.521 2.097 0 40 IEAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 575426263 PXQAMSNWLKFOJT-CQSZACIVSA-N 429.903 2.421 0 40 IEAB CN(C)CCOc1cccc(CN2CC[C@H](O)[C@@](O)(COc3cc(F)cc(F)c3)C2)c1 585282133 HNBQZBWXVHPKGR-GOTSBHOMSA-N 436.499 2.282 0 40 IEAB O=S(=O)(c1cccc2nsnc12)N1C[C@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888928912 SETOMUOATFFQRW-ZIAGYGMSSA-N 428.543 2.116 0 40 IEAB COc1cc(C(=O)N2CCO[C@]3(C2)C(=O)N(Cc2cccnc2)C[C@@H]3c2ccccc2)on1 2055793357 SWZYTJKPBOSUTE-DVECYGJZSA-N 448.479 2.116 0 40 IEAB COC(=O)c1sc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C(=O)OC)c1C 4035857 SRJHZHVFQKVQOK-UHFFFAOYSA-N 438.527 2.141 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9413418 UDCKARXBTMJAHE-AEFFLSMTSA-N 438.480 2.499 0 40 IEAB O=C(O)c1ccc(N[C@@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 9422092 ZJLUHPHWSNWDJC-OAHLLOKOSA-N 425.422 2.114 0 40 IEAB COC(=O)c1sc2nc(-c3ccccc3Cl)nc(C)c2c1NC(=O)C(=O)NCCO 9485872 MQMAWICKQLLBLW-UHFFFAOYSA-N 448.888 2.154 0 40 IEAB CCOc1ccc(NC(=O)c2cccc(-c3nn[nH]n3)c2)cc1S(=O)(=O)N1CCCC1 9596280 ATSBLDAPCGZNCG-UHFFFAOYSA-N 442.501 2.302 0 40 IEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NN2C(=O)N[C@](C)(CC)C2=O)cc1 9780619 AZSQAIBDHQXHNO-OAQYLSRUSA-N 444.513 2.267 0 40 IEAB CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 10843446 UBPONIMAUKMAFG-UHFFFAOYSA-N 437.562 2.167 0 40 IEAB CCCc1nc(SCC(=O)Nc2ccc(Cl)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 11758086 RQOZVMVIDKTHFF-UHFFFAOYSA-N 433.921 2.364 0 40 IEAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 12141999 VARHNDXEDWIEQI-OAHLLOKOSA-N 429.498 2.343 0 40 IEAB CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/c1cccc2ccccc12 12290026 QQUFXKAQFPGZLU-ZGKFYVQTSA-N 425.510 2.008 0 40 IEAB COc1ccc(CC(=O)Nc2ccccc2C(C)=O)cc1S(=O)(=O)N1CCOCC1 13003301 MGTZCSARGCZYDR-UHFFFAOYSA-N 432.498 2.100 0 40 IEAB Cc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)o1 13014818 WLRCIUQLAWFQOZ-VMPITWQZSA-N 432.498 2.296 0 40 IEAB CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)CC1 13568854 HUTHXAARCMOYLO-UHFFFAOYSA-N 438.546 2.285 0 40 IEAB Cc1cc(NC(=O)COc2ccc(OC(F)(F)F)cc2)n([C@H]2CCS(=O)(=O)C2)n1 13731656 AUKRFYGRRFDRFX-LBPRGKRZSA-N 433.408 2.467 0 40 IEAB O=C1CCCN1Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 14070349 DSKMCTORALDQFO-QFIPXVFZSA-N 449.507 2.076 0 40 IEAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 14093124 LLDJFZMSHVXMAK-UHFFFAOYSA-N 432.452 2.297 0 40 IEAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(S(C)(=O)=O)cc1 14184804 NTBQUDDEBJRJGB-GDBMZVCRSA-N 444.509 2.092 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1 14245140 ASECMGRBIKQCFZ-UHFFFAOYSA-N 432.498 2.053 0 40 IEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NCCc1ccc2c(c1)OCCO2 14899047 KDDDZWHYUQYGRP-UHFFFAOYSA-N 435.406 2.433 0 40 IEAB Cc1ccc2cc(C)c3nn(CCNC(=O)c4ccoc4CN4CCOCC4)c(=O)n3c2c1 19234292 PLNJSRARIWRTAX-UHFFFAOYSA-N 449.511 2.121 0 40 IEAB COc1c(OS(=O)(=O)O)ccnc1C[S@@](=O)c1nc2ccc(OC(F)F)cc2[nH]1 22056386 AQQVGUHYOGVLDA-NDEPHWFRSA-N 449.413 2.057 0 40 IEAB Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCN(C)CC2)cc1 22796620 ZVKZHQBIMWDLGZ-OAQYLSRUSA-N 428.964 2.370 0 40 IEAB CN(C)C(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 23136711 JOPSEXDGNVSNSC-UHFFFAOYSA-N 439.921 2.310 0 40 IEAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccc(OC)cc2)c(=O)n1N 27752287 PIYICTBXHKJAEC-UHFFFAOYSA-N 425.514 2.245 0 40 IEAB O=C(CCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)N[C@@H]1C=CS(=O)(=O)C1 33527003 UJFXWGNNDWGDNV-ZMTLZGASSA-N 426.903 2.193 0 40 IEAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)N3CCN(c4ncccn4)CC3)cs2)cc1 35596780 KUHXQRIZOASQEE-UHFFFAOYSA-N 444.542 2.043 0 40 IEAB O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36357015 MPQRNUMOABUAQL-SFHVURJKSA-N 427.526 2.140 0 40 IEAB Cc1noc(C)c1CN1CCN([C@H](C(=O)O)c2c(C(=O)O)n(C)c3ccccc23)CC1 36358223 PPZPBTGNRCAQAG-FQEVSTJZSA-N 426.473 2.425 0 40 IEAB COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)cc(OC)c1OC 40009518 DJCRRWUJDKOSBL-LBPRGKRZSA-N 436.486 2.221 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C(=O)C4CC4)CC3(C)C)CC2)cc1 95463713 YGRFLFWVEKNZGK-UHFFFAOYSA-N 447.601 2.255 0 40 IEAB O=C(NCCn1ccc(-c2cccs2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 96103855 KBTOBVPTHKEMQD-UHFFFAOYSA-N 446.554 2.063 0 40 IEAB C[C@@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1ccccc1F)S(C)(=O)=O 220306213 LISUGPCMJQUNDL-ZDUSSCGKSA-N 443.522 2.015 0 40 IEAB CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223329569 XRPGTEMXSFFWGN-JOCHJYFZSA-N 445.585 2.420 0 40 IEAB Cc1c(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 223541815 DBYVUWIZSGQTDK-UHFFFAOYSA-N 446.504 2.024 0 40 IEAB CN(c1ccc(OCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1)S(C)(=O)=O 224517300 GFWVNEBVWHEXIJ-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224814984 KDGJFGSCEUGCLZ-UHFFFAOYSA-N 437.470 2.249 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 247742191 OYJGBRJIJGGDCV-JYALNIHZSA-N 432.524 2.456 0 40 IEAB COCCC(=O)N1CC[C@@H](c2nc(C)c3c(n2)N(CCc2ccc(F)cc2)C(=O)C3)C1 257321297 WBAGBJYAOXOCIA-QGZVFWFLSA-N 426.492 2.408 0 40 IEAB Cc1ccccc1CC(=O)N1C[C@@H]2[C@@H](C1)N(C(C)C)S(=O)(=O)c1cccnc1N2C 306143114 XTMQGULFGJNUJR-RTBURBONSA-N 428.558 2.061 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)cc1 408562261 YNKCNGMAHKNIIT-QGZVFWFLSA-N 448.541 2.430 0 40 IEAB COc1ccc(CN(C)S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 408596900 UBLVWQCNFWCQEL-QGZVFWFLSA-N 448.541 2.142 0 40 IEAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(N)=O)cc2)C1=O 409212511 QGFYCDBDCMDDLX-YVLHZVERSA-N 441.465 2.234 0 40 IEAB CC(C)C(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 604381161 DSJMQILHRHSFEN-QGZVFWFLSA-N 427.467 2.339 0 40 IEAB biogenic,in-vitro COc1ccc(CN2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)cc1 643566064 PEKYDMGMTVALBV-IBGZPJMESA-N 431.577 2.489 0 40 IEAB CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)CC1 888107145 RFLRRUOZRINPHJ-QGZVFWFLSA-N 442.520 2.394 0 40 IEAB Cn1nc2c(c1C(=O)NCc1ccccc1)C[C@H](CNC(=O)c1cccc(Cl)n1)OC2 1565556616 XFPQWSDJAGOLRR-OAHLLOKOSA-N 439.903 2.270 0 40 IEAB NCC(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)CN)ccc1C21OC(=O)c2ccccc21 1857793726 XAQBESFXQQMIDY-UHFFFAOYSA-N 444.447 2.049 0 40 IEAB O=S(=O)(Cc1ccc(Cl)cc1)N1CC[C@H]2C[C@@H](CN3CCCOCC3)O[C@H]2C1 2056225270 HGRHTTTZZUGDSB-IHPCNDPISA-N 428.982 2.372 0 40 IEAB COc1cccc(NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2N)c1 2386361 GEFRKELYAFDPPG-UHFFFAOYSA-N 445.501 2.424 0 40 IEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)C2=O)cc1 3324236 JOOAEOYROZAWKQ-OAQYLSRUSA-N 426.498 2.050 0 40 IEAB CCc1ccc(-n2c(C)cn3c4c(=O)n(CCN5CCCCC5)c(=O)n(C)c4nc23)cc1 8709683 ILPAUAUBQJMUIK-UHFFFAOYSA-N 434.544 2.495 0 40 IEAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(F)cc3F)=C2)cc1OC 9290104 KNSXBBQTSJPFNX-UHFFFAOYSA-N 437.424 2.484 0 40 IEAB CN(C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 9662818 XZYHDXZNNDZXSR-QGZVFWFLSA-N 443.554 2.067 0 40 IEAB CCOC(=O)CCn1c(=O)c2c(nc3n([C@@H](C)c4ccccc4)c(C)c(C)n23)n(C)c1=O 10233700 XTGJABIPTLWOQU-INIZCTEOSA-N 437.500 2.329 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)c1 10294003 FPEMXHIVWOWXLK-UHFFFAOYSA-N 441.484 2.017 0 40 IEAB CS(=O)(=O)c1ccc2nc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)sc2c1 12778851 XCXNWYHQPHEEFS-STQMWFEESA-N 435.527 2.204 0 40 IEAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1 12791730 ADRGNTRHRBHRRA-MRXNPFEDSA-N 441.962 2.478 0 40 IEAB O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12811310 CVNQXONCCJEQEH-HXUWFJFHSA-N 435.496 2.291 0 40 IEAB O=c1[nH]c(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)nc2ccc(Cl)cc12 12864506 UAMBCXPEKVHTOP-UHFFFAOYSA-N 436.896 2.222 0 40 IEAB Cn1nc(C(=O)O[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)c2ccccc2c1=O 12938386 FBAHWCMPMUZJBL-SFHVURJKSA-N 437.427 2.451 0 40 IEAB CCCCN(C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 14168812 VCJDGMVVRSVTQT-QGZVFWFLSA-N 430.592 2.147 0 40 IEAB NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1Cl 15274545 GVFZIWSDMURJEE-UHFFFAOYSA-N 448.787 2.104 0 40 IEAB CC(C)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 15972243 HFHPQUSKLVNKRO-PROJREHDSA-N 431.920 2.286 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4cc5nc(C)cc(C)n5n4)[C@H]3C2)cc1 19211838 FHUBGUFSYSGKMF-NEWSRXKRSA-N 439.541 2.094 0 40 IEAB COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)N2CCOCC2)cc1 19220918 ZKNPXNHKYXWLBF-QFIPXVFZSA-N 446.511 2.302 0 40 IEAB O=C(c1ccccc1F)N1CCc2c(nc([C@H]3CCN(Cc4ccccn4)C3)[nH]c2=O)C1 19347693 YNHKFVKFUIEBJX-INIZCTEOSA-N 433.487 2.492 0 40 IEAB O=C(Nc1nonc1-c1ccccc1)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2 27985866 LUGQZMFUHJRBPJ-CQSZACIVSA-N 427.486 2.424 0 40 IEAB CCCCCN(Cc1cc(=O)n2ccccc2n1)c1c(N)n(CCCC)c(=O)[nH]c1=O 32892802 WHGKBGKROBPPDF-UHFFFAOYSA-N 426.521 2.124 0 40 IEAB Cc1ccc(NC(=O)CN2CCN(C(=O)CSc3nc(C(C)(C)C)n[nH]3)CC2)cc1 32907157 CVJQYFQFLULMMC-UHFFFAOYSA-N 430.578 2.286 0 40 IEAB COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1OC 32983249 UAEBVWHIMGEOLQ-QFIPXVFZSA-N 440.496 2.147 0 40 IEAB COC(=O)c1c(NC(=O)c2cc(C(=O)N3CCOCC3)nn2C)sc2c1CCCCC2 36612404 FVNBLWCUPWTHSC-UHFFFAOYSA-N 446.529 2.262 0 40 IEAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2cnn(-c3ccccn3)c2C(C)C)CC1 40072811 CHPAOFSFVRGPPW-UHFFFAOYSA-N 443.504 2.285 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C 59250738 IDUHXAAXJXFPGK-UHFFFAOYSA-N 442.423 2.064 0 40 IEAB CC(=O)N1CC2(CCN(C(=O)CCC(=O)Nc3nnc(C)s3)CC2)Nc2ccccc21 72327196 AYGPLHOOHKQQSO-UHFFFAOYSA-N 442.545 2.405 0 40 IEAB O=C(c1ccc(=O)[nH]n1)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72356165 NVVYMGAPYMFUKO-CQSZACIVSA-N 438.509 2.087 0 40 IEAB O=C(Nc1ccc2[nH]ncc2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 89807374 IAZLOJFYYLFWTE-UHFFFAOYSA-N 442.497 2.374 0 40 IEAB C[C@H]1CN(C(C)(C)CNC(=O)[C@@H]2CCCN2C2CCN(CC(F)(F)F)CC2)C[C@@H](C)O1 89930283 UTMUAUSLRHSIGY-SCTDSRPQSA-N 448.574 2.482 0 40 IEAB O=C(OCc1ccccc1)N1CC[C@H](S(=O)(=O)NCCc2ccc3c(c2)OCO3)C1 95398580 CZNHJVZZKJDQLP-SFHVURJKSA-N 432.498 2.288 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(I)cc1 100394675 ZICDEKHPZFJWES-JDEPPNLYSA-N 448.260 2.283 0 40 IEAB CCOCCn1/c(=N/C(=O)c2ccc(C(C)=O)cc2)sc2cc(S(N)(=O)=O)ccc21 100873615 CMSGJFYFZOYICQ-XDOYNYLZSA-N 447.538 2.330 0 40 IEAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CN2CCN(CCc3ccccc3)CC2)C1=O 103448257 SSYAXSPUGJCJCI-QESAQDPVSA-N 438.572 2.420 0 40 IEAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)N1C(=O)C(=O)N(CN2CCN(CCc3ccccc3)CC2)C1=O 103448263 SSYAXSPUGJCJCI-JKLQHZFJSA-N 438.572 2.420 0 40 IEAB COc1cc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1 104669982 CZIINAMBNDDHEA-NUXNZHGMSA-N 429.473 2.258 0 40 IEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222887665 SFWRMGIRSPUWIB-IBGZPJMESA-N 445.585 2.275 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223784949 LWROMUTUGMOXAD-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2cccc(C)c2C)cc1OC 223970887 RAFWNIQLSMXYIK-UHFFFAOYSA-N 436.530 2.136 0 40 IEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)s1 224633584 BOXCWHWWLUDSHS-UHFFFAOYSA-N 442.910 2.315 0 40 IEAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 224891185 KDJLIXFUUMGJIM-UHFFFAOYSA-N 434.470 2.190 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)N[C@H]3C[C@H]4C(=O)Nc5ccccc5N4C3)n(C)n2)c1 225628412 SDTTVJLKNYSIBW-QKKBWIMNSA-N 447.495 2.434 0 40 IEAB C[C@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1)C(=O)N1CCCCC1 248239597 GKDVANQPFQFGLX-VXBGUEJESA-N 425.529 2.459 0 40 IEAB O=C(NCCN1CCOCC1)c1nc([C@@H]2CCCN2Cc2ccccn2)n2ccccc12 306142352 WWSWSOFQAVTXTR-NRFANRHFSA-N 434.544 2.128 0 40 IEAB CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 408604196 LJLSDNUWEFXDHJ-SFHVURJKSA-N 431.558 2.489 0 40 IEAB Cc1cc(NC(=O)CSCC(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)no1 506059421 ZTXXOVFQHBEJBV-KRWDZBQOSA-N 426.498 2.374 0 40 IEAB Cn1nccc1C(=O)N1CCO[C@@](COc2ccccc2)(CC(=O)N2CCCCC2)C1 585287168 VGXXCCSTPZXBQO-QHCPKHFHSA-N 426.517 2.113 0 40 IEAB Cc1ccc(OCC2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)nn1 1775985999 NUKZUSGECWRARV-MRXNPFEDSA-N 441.557 2.185 0 40 IEAB NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C1(c2cccc(F)c2)CCOCC1 1848353573 IJKWNKMSQOMYLM-NRFANRHFSA-N 425.504 2.072 0 40 IEAB Cn1cc(N2CCC(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)CC2)c(=O)n(C)c1=O 1889134424 ISJJEQGKYKEBIA-UHFFFAOYSA-N 444.963 2.334 0 40 IEAB COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1 2646444 IRMVQYYVJSCXHP-UHFFFAOYSA-N 443.525 2.170 0 40 IEAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 8726586 WHZDJAIKFOZAQB-UHFFFAOYSA-N 429.542 2.335 0 40 IEAB Cn1c(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1ccco1 9244471 MAEBBQSACNRRBB-UHFFFAOYSA-N 448.526 2.071 0 40 IEAB COc1ccc(NCCCn2c(C)c(C)n3c4c(=O)[nH]c(=O)n(C)c4nc23)cc1Cl 9421392 VRLGFFXYTGOUSK-UHFFFAOYSA-N 430.896 2.457 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1cccc(N2CCCC2=O)c1 9482110 PGIZZORGONLUFL-LJQANCHMSA-N 444.557 2.259 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1 10187751 UOTZKEZLIWULIT-UHFFFAOYSA-N 443.456 2.113 0 40 IEAB CCCc1cnc2c(c1SCC(=O)Nc1cccc(OC)c1)c(=O)n(C)c(=O)n2C 10216709 HTSKYQQWFLWGBJ-UHFFFAOYSA-N 428.514 2.324 0 40 IEAB COc1ccccc1CNS(=O)(=O)c1cc(N2CCCCS2(=O)=O)ccc1OC 12004631 ZJCYZJGSIUVVSL-UHFFFAOYSA-N 440.543 2.112 0 40 IEAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@]1(CCCN(C(=O)Cc3ccccn3)C1)O2 12087193 UJNNBXLTBCQVJJ-JOCHJYFZSA-N 429.542 2.148 0 40 IEAB NC(=O)CCN1CCC(C(=O)N2Cc3cc(Cl)ccc3OC3(CCOCC3)C2)CC1 12122021 RGEKNDBRGLHSAQ-UHFFFAOYSA-N 435.952 2.198 0 40 IEAB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cnc(-c4cccnc4)nc3C)CC2)cs1 12229888 XYFJHKPZAYWVMI-UHFFFAOYSA-N 443.554 2.364 0 40 IEAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c3ccccc3)ccc21 12750685 IFTVLJPHWVDFIC-HNNXBMFYSA-N 444.509 2.079 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cn1cnc2ccccc2c1=O 12821836 WXRVYRGOUCHQKP-UHFFFAOYSA-N 440.525 2.016 0 40 IEAB COc1ccc(NC(=O)CN(C)C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1 13004088 JGEQYCNXHNRDHU-UHFFFAOYSA-N 426.498 2.432 0 40 IEAB NC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)cc1 14244793 CQQQSCIAFDFYCR-UHFFFAOYSA-N 443.934 2.024 0 40 IEAB C[C@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2NC1=O 15925490 VVDIKXYLQWPUGQ-CQSZACIVSA-N 431.539 2.266 0 40 IEAB O=C([C@@H]1CCCO1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19343625 ZJIIOYLHBBGZEX-KXBFYZLASA-N 428.558 2.275 0 40 IEAB CCCN1CCN(C(=O)c2n[nH]c(=O)[nH]2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19503189 QCYUXKIFFBUCNH-IBGZPJMESA-N 433.512 2.318 0 40 IEAB COc1cc(CC(=O)N2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc(OC)c1OC 19549618 QCISXFCKOUDNMH-MRXNPFEDSA-N 427.501 2.164 0 40 IEAB Fc1ccc([C@@H]2N=C3NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 20556180 CLVPMOALVMJIGF-OAQYLSRUSA-N 435.507 2.051 0 40 IEAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1cccc(Cl)c1 22228821 JLNXGXIGORELDF-UHFFFAOYSA-N 435.933 2.422 0 40 IEAB CN(C)C(=O)COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 25657724 OEQQZOSBCXUKSU-UHFFFAOYSA-N 439.921 2.114 0 40 IEAB COc1ccc(-c2nc(C(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cs2)cc1 32928209 LYUYQQGDTMSFES-UHFFFAOYSA-N 428.558 2.445 0 40 IEAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(C(=O)N2CCOCC2)cc1 35315641 KZQIFVYWLBOIFJ-UHFFFAOYSA-N 436.443 2.161 0 40 IEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)cc2)n1 39962431 YRDYXRXWPWGRKW-BODMPHMZSA-N 442.497 2.356 0 40 IEAB COc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3ccc(Cl)cc3)n2)cc1 49421676 CNCZDVKZXDMPNC-UHFFFAOYSA-N 433.873 2.377 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 63376386 MXDLMEJOTDKJOE-WOJBJXKFSA-N 434.945 2.406 0 40 IEAB CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OC(C)C)O[C@H]2[C@@]1(C)F 68243819 PVRFQJIRERYGTQ-DSQUMVBZSA-N 431.361 2.381 0 40 IEAB investigational CC(C)(C)/C=C/C(=O)NCCN(CCNC(=O)/C=C/C(C)(C)C)CCN1CCOCC1 72313754 AHMPBTQZHAZFGB-FIFLTTCUSA-N 436.641 2.058 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)C(=O)Nc3ccccc3)C2)cc1 95471242 KZJLEGDVIDUGQH-IAGOWNOFSA-N 445.541 2.239 0 40 IEAB COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)nc2ccc(C)cn2c1=O 96114604 AMVYZXKXKLLWBO-AWEZNQCLSA-N 428.441 2.429 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)CC2)cc1C 102405003 GVFZYOXBBXDWLC-XEYPJELSSA-N 432.542 2.049 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222461095 YFHSTMCGZSOGRA-INIZCTEOSA-N 435.521 2.063 0 40 IEAB CC(=O)N1CC(=O)N2CC[C@@H](CC(=O)NC(C)C)[C@@H](/C=C\COc3ccccc3C1)C2 253401959 NUPGKENJHRJJOE-LQVMRVBZSA-N 427.545 2.363 0 40 IEAB O=C(CN1CCCCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257239611 HQCNLHVCIQOVNM-VDKIKQQVSA-N 429.605 2.162 0 40 IEAB CC(C)n1cnc([C@@H]2CN(C(=O)c3ccn(C)n3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306124963 CDKVPTNXXUZBPW-CYFREDJKSA-N 447.543 2.251 0 40 IEAB COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl 408596393 UTFGTMJLJVCNNA-AWEZNQCLSA-N 426.922 2.348 0 40 IEAB CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(C(=O)c2ccnc(F)c2)CC1 585106523 KOKWQGKFJQOAAS-UHFFFAOYSA-N 428.512 2.457 0 40 IEAB Cc1noc(C)c1C(=O)N1CC[C@]2(CCc3nnc(C(=O)NC4CCCC4)n3CC2)C1 585106932 LMYUGRUGEULWMB-QFIPXVFZSA-N 426.521 2.424 0 40 IEAB C[C@@H]1CCCCN1C(=O)CN1CCO[C@]2(CC=CCc3ccccc3OCCNC2=O)C1 2037884876 DHXNWRDTFSMRBZ-CJFMBICVSA-N 441.572 2.156 0 40 IEAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 8397295 KMVHUBFIIJPKML-UHFFFAOYSA-N 437.587 2.267 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2ccc3c(c2)OCCO3)NC(=O)N[C@H]1c1ccccc1 8723935 JSVVPYMIEJBNGW-FQEVSTJZSA-N 438.436 2.486 0 40 IEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 9256469 AXSQBLVKQKIASK-UHFFFAOYSA-N 441.484 2.098 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(-c4ccc(C)cc4)n3n2)CC1 9415069 SKCRTBGQBKCVIF-UHFFFAOYSA-N 440.529 2.493 0 40 IEAB Cc1nc2cc(C(=O)OCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)ccc2n1-c1ccccc1 9511814 BCHKDRMHQQLGAP-SFHVURJKSA-N 441.509 2.136 0 40 IEAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(C)cc2Br)C1=O 10167061 MVVKQOXBTDFYSM-UHFFFAOYSA-N 440.294 2.350 0 40 IEAB CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 11432930 NDAFIXCRPUUBFW-HNNXBMFYSA-N 434.518 2.433 0 40 IEAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCCCCC2)cn1 12553560 LGNZEVREOPGULW-CQSZACIVSA-N 428.580 2.361 0 40 IEAB C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc2c(c1)OCCO2 12765837 CTSASEUGDHUUOR-MRXNPFEDSA-N 431.514 2.235 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)N(C)Cc1ccc(OC)cc1OC 13114849 HAUBVIVHSPZNRF-HXUWFJFHSA-N 432.542 2.439 0 40 IEAB O=S(=O)(c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1)N1CCOCC1 13165415 OSGUCYLIJHLZQA-UHFFFAOYSA-N 429.586 2.462 0 40 IEAB Cc1nc2ncnn2c(C)c1CC(=O)N(C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 14113469 RCUKLYNHIMMKJW-UHFFFAOYSA-N 436.394 2.279 0 40 IEAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19766733 BYRTYROTZURKPV-KRWDZBQOSA-N 432.550 2.107 0 40 IEAB CC(=O)N1C[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)Oc2ccccc21 22286976 FIYRCYFBMAUWTO-RBBKRZOGSA-N 427.476 2.129 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1C 22851194 JCTPBAPKNZXYDE-GOSISDBHSA-N 434.514 2.084 0 40 IEAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 24924293 VJUWTYWJCNGABE-KRWDZBQOSA-N 425.485 2.090 0 40 IEAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(S(=O)(=O)N(C)C)CC2)c1 27427618 MHEXUFLJXAGORH-NRFANRHFSA-N 430.574 2.407 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 30939605 USCCDUKNOSHLEF-LJQANCHMSA-N 431.514 2.382 0 40 IEAB Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCc1cc(-c2ccc3c(c2)OCO3)on1 38582169 AXUMRPZQSMLAQM-AWEZNQCLSA-N 426.454 2.289 0 40 IEAB O=C(Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O)Nc1ccc(F)c(F)c1 49409256 YTBIRXYOPZDUAM-UHFFFAOYSA-N 425.457 2.330 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccc3OC)CC2)NC(=O)N[C@H]1c1cccs1 57415950 WYIOPVARLIZPST-FQEVSTJZSA-N 442.541 2.360 0 40 IEAB CCNC(=O)Nc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 57986863 HODBHWPSIXYFSL-HNNXBMFYSA-N 449.533 2.472 0 40 IEAB CN(C)[C@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)CCO2 90607299 ZAZUIWZIMVBIAE-HXUWFJFHSA-N 436.512 2.106 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1ccn(Cc2ccc(Cl)cc2)c(=O)c1=O 90610122 UEOIAPSOFIUJHK-UHFFFAOYSA-N 427.844 2.137 0 40 IEAB CC(=O)N1CSC[C@@H]1C(=O)OCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 95951132 XFXXQSVNCMZBFH-OAHLLOKOSA-N 426.541 2.178 0 40 IEAB Cc1cccc(N2C(=O)[C@H]3C=C[C@@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C[C@H]3C2=O)c1 100930647 ZQSQZUXEKWFBQC-HSALFYBXSA-N 430.464 2.002 0 40 IEAB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)CC1=O 139016670 KRERXNRPTFUVEM-MRXNPFEDSA-N 440.452 2.407 0 40 IEAB O=C(Nc1nnc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)s1)c1ccccc1 223322997 AQINIWDBFGNJHP-UHFFFAOYSA-N 440.510 2.455 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223661388 AWIBUAUJXRFZQO-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)c1 223841059 PARGQXMYJIDOBK-UHFFFAOYSA-N 432.907 2.323 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N1CC(=O)Nc2ccccc21 224469164 SFZSUJOTQZIHCF-UHFFFAOYSA-N 443.525 2.398 0 40 IEAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(CCc3ccccc3)S(C)(=O)=O)c2)n1 226060301 YMVDHRPYJGNYAG-UHFFFAOYSA-N 440.525 2.188 0 40 IEAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)ccc1OCC(=O)O 409213382 UCPQYEMKXMBZHZ-PXNMLYILSA-N 436.486 2.357 0 40 IEAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Br)c(Cl)c3)C(=O)[C@@H]12 409306689 PVMQRPXITQJEDE-VMUDFCTBSA-N 426.650 2.479 0 40 IEAB O=C1NCCc2ccc(NS(=O)(=O)c3cccc(I)c3)cc21 610057931 PQXKBGIWPYUYRV-UHFFFAOYSA-N 428.251 2.378 0 40 IEAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCCc3cnc[nH]3)ccc21 643584278 KZPSGIZYFXRKIH-UHFFFAOYSA-N 427.549 2.415 0 40 IEAB Cc1nc(NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)ccc1-c1cnn(C)c1 1544175139 BFJLNNMUDFHMHY-CYBMUJFWSA-N 431.543 2.330 0 40 IEAB CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(OC)cc4)sc3nc2=O)cc1 2434795 HKFZOCVFFBTIIM-ZHZULCJRSA-N 435.505 2.447 0 40 IEAB COc1ccccc1CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 3360280 WWTQFKYRXZHDAM-FQEVSTJZSA-N 434.514 2.086 0 40 IEAB O=C(Cc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3557181 BTCFVIVDRDZWHY-UHFFFAOYSA-N 436.917 2.187 0 40 IEAB CC[C@H](c1nnnn1CCOC)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 4847491 JGRQFFNFCMDQCU-HXUWFJFHSA-N 428.537 2.114 0 40 IEAB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2Cc2ccc3c(c2)OCO3)cc1 9282385 HHFQPCSTULZBOG-UHFFFAOYSA-N 443.463 2.439 0 40 IEAB COc1ccc(-c2noc(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)n2)cc1OC 9614041 AABQOJUFJAQILJ-UHFFFAOYSA-N 428.426 2.306 0 40 IEAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)CCc3ccccc3)n2)cc1 9844853 JZJZMEZIEMLCSR-UHFFFAOYSA-N 427.526 2.471 0 40 IEAB COc1ccc([C@@H]2C[C@H](C(=O)Nc3ccc(F)cc3F)N(C)S(=O)(=O)N2)cc1OC 12129831 ZDGGWJQUNIATAS-JKSUJKDBSA-N 441.456 2.200 0 40 IEAB COc1ccccc1C(=O)N[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)nc1)C(C)C 12997187 GBXVABSEICHWDD-OAQYLSRUSA-N 425.533 2.235 0 40 IEAB CC(C)n1ncc2cc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)cnc21 13008694 FXYAXFDFYZLPMP-UHFFFAOYSA-N 442.545 2.201 0 40 IEAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ncnc3c2nnn3C)CC1 13532785 NDCGFKKAYJWOTH-UHFFFAOYSA-N 438.879 2.338 0 40 IEAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)NC1CCCCC1 13682314 ZNMKYBJWNDVCOX-OAHLLOKOSA-N 441.981 2.306 0 40 IEAB COc1ccc(Cl)cc1C(=O)N1CCN(c2nc(C)cc(N3CCOCC3)n2)CC1 17012242 SGYJBSCWTMFIGC-UHFFFAOYSA-N 431.924 2.246 0 40 IEAB O=C(c1ccco1)N1CCN(C(=O)c2cccn2CC(=O)N2CCc3ccccc32)CC1 17200637 PXKSLSJGMQSYCU-UHFFFAOYSA-N 432.480 2.269 0 40 IEAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(CC(=O)N3CCCC3)CC2)n1 19694158 VMVKFQXWINKADT-UHFFFAOYSA-N 436.560 2.110 0 40 IEAB CCN(CC)CC(=O)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19703956 XFPDDVZEZMOZTC-MRXNPFEDSA-N 430.574 2.426 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)COCc3nc4ccccc4[nH]3)C2)ncc1C(=O)N1CCCC1 19757752 PEYMCGNWIZEGTD-KRWDZBQOSA-N 448.527 2.430 0 40 IEAB Cc1ccc(C)c(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)N(C)C)c1 20244655 GFMRWOMWMJWENM-UHFFFAOYSA-N 430.574 2.265 0 40 IEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1cc2c(cc1Br)OCCO2 22065510 HBDPFOGQYMCJHI-UHFFFAOYSA-N 439.262 2.128 0 40 IEAB O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(Cc2ccccc2)CC1 24606966 ATQAEBGLGNUZGC-IBGZPJMESA-N 433.599 2.493 0 40 IEAB CCN(CC)C(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC)cc2)cc1 27026978 PVXPKMWKRGFQRK-UHFFFAOYSA-N 433.530 2.484 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 27408677 NFXFQAFOCSQFSR-UHFFFAOYSA-N 431.514 2.100 0 40 IEAB Cn1c(=O)c2c(ncn2CCCC(=O)N[C@@H](c2cccs2)C2CCCC2)n(C)c1=O 32397164 FCNNJIXVCOWCMG-QGZVFWFLSA-N 429.546 2.323 0 40 IEAB C[C@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1ccc(C(C)(C)C)cc1 32910500 IHUVLHNNCLZNMF-AWEZNQCLSA-N 431.514 2.352 0 40 IEAB Cc1ccccc1OCCN(C)C(=O)[C@H](CS(=O)(=O)c1ccccc1)N1CCOCC1 32913303 QEEAXLZSRSUWQW-NRFANRHFSA-N 446.569 2.007 0 40 IEAB COc1ccc(-n2ncc(C(=O)OCc3nc4ccccc4c(=O)[nH]3)c2C(F)(F)F)nn1 40059651 UKOMNCZEUVFZNX-UHFFFAOYSA-N 446.345 2.283 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44908758 YYCLHMPWUGCVTD-YWZLYKJASA-N 434.514 2.196 0 40 IEAB Cc1c(N(CC(=O)NC(C)C)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 59383999 KCJGWCYGMWYTKZ-UHFFFAOYSA-N 442.541 2.204 0 40 IEAB CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)c2ccnc(Cl)c2)cc1 67896989 OOPVAPQONIOVJS-YLJYHZDGSA-N 433.892 2.285 0 40 IEAB biogenic,in-vitro CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 100430855 MTXGZVVJWPJPOQ-IKVZYYAVSA-N 443.588 2.443 0 40 IEAB COc1cc(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1 104669989 CZIINAMBNDDHEA-WZTLGTBRSA-N 429.473 2.258 0 40 IEAB COc1ccc(C(=O)NC[C@]2(COc3ccc(C(F)(F)F)cn3)C[C@H](O)[C@H](O)C2)cc1 107430253 FZJQJGDFPJJKAO-XEMDLRDOSA-N 440.418 2.420 0 40 IEAB biogenic,in-vitro CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 219992584 WFIVPUQQGOAAIT-UHFFFAOYSA-N 442.497 2.030 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223654699 HGQLZVAMJSPALZ-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB CCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(CN4CCOCC4)cc3)ccc21 224589919 LEBVAAKISPXFIX-UHFFFAOYSA-N 447.582 2.394 0 40 IEAB Cc1ccc2c(c1)O[C@H](C(=O)NCc1ccccc1CN1CCCC1)CN2S(C)(=O)=O 224788855 ZUZPXSDWQNOYMB-QFIPXVFZSA-N 443.569 2.434 0 40 IEAB O=C1CCCC[C@H]2[C@@H](C[C@@H](Cc3ccccc3)N2C(=O)CCN2C(=O)CCCC2=O)N1 257301632 RZEOVYUDTAUGMP-AQNXPRMDSA-N 425.529 2.187 0 40 IEAB COc1ccc(CN2CC[C@@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)cc1 306128597 HFTALTYKJCZQKB-XMMPIXPASA-N 440.544 2.169 0 40 IEAB C[C@]1(c2ccc(-c3noc(C4CCN(C(=O)N5CCCC5)CC4)n3)cc2)NC(=O)NC1=O 546239037 ARXSABVIDLMZJV-JOCHJYFZSA-N 438.488 2.186 0 40 IEAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1ccc(S(=O)(=O)NC2CCCC2)cc1 1225137 QIOXYQDIYZXRCJ-UHFFFAOYSA-N 444.492 2.339 0 40 IEAB CCOC(=O)Cc1csc(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1 3327858 REATWUDQIWXORU-UHFFFAOYSA-N 443.572 2.230 0 40 IEAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1OC 3634770 RWILERFDGBHSDB-UHFFFAOYSA-N 436.530 2.128 0 40 IEAB CC(C)CCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 4554069 OWKCPFIKQUTYDG-QGZVFWFLSA-N 427.542 2.038 0 40 IEAB COCCn1c(=O)c2c(nc3n(-c4ccc(OC)c(Cl)c4)c(C)c(C)n23)n(C)c1=O 6177677 HQXDZVHBJQLBNF-UHFFFAOYSA-N 431.880 2.064 0 40 IEAB Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2c1nc1n2C[C@@H](O)CN1c1ccccc1 9009927 PTTZZGNHEIVGRG-KRWDZBQOSA-N 437.887 2.111 0 40 IEAB C[C@@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)O1 9835350 JYMQMAIGGKJKIQ-IAQYHMDHSA-N 435.420 2.353 0 40 IEAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(F)ccc3OC)n2)cc1 9844756 PHZASCUPKARDLN-UHFFFAOYSA-N 447.488 2.435 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)C1=O 11859488 BGVYKUUDOHBGIU-OAHLLOKOSA-N 431.489 2.101 0 40 IEAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)c1 13000520 WEBRCURLPSCAFO-UHFFFAOYSA-N 433.530 2.346 0 40 IEAB CCCn1c(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nnc1-c1ccncc1 14253329 SEARYEOJQIOOFH-UHFFFAOYSA-N 442.545 2.030 0 40 IEAB COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 15780562 CQUZEXAFXKMENR-UHFFFAOYSA-N 442.515 2.053 0 40 IEAB CC(=O)Nc1nc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cs1 19022895 HRJPKQYPGVZKLU-UHFFFAOYSA-N 428.470 2.168 0 40 IEAB O=C(c1cccnc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccncc3)[nH]c2=O)C1 19337780 UFAPLJMCQBAGKZ-FQEVSTJZSA-N 444.495 2.126 0 40 IEAB O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372529 OWFUCPOJLPGLBM-PWRODBHTSA-N 444.528 2.060 0 40 IEAB Cc1ncsc1C(=O)N1CCO[C@H](c2c(C(=O)N(C)CCO)sc3ncccc23)C1 19702854 FKDLXEJSRLRKNX-AWEZNQCLSA-N 446.554 2.339 0 40 IEAB CCc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3nn(C)cc32)c1 21713878 YTQJNVPOSRLXQH-UHFFFAOYSA-N 435.459 2.285 0 40 IEAB CCN1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4cccc(C)c4)c(=O)n32)CC1 22768364 SXLPBPGQQFBOFY-KRWDZBQOSA-N 438.557 2.092 0 40 IEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1 22787289 YIGVGYZSBVCLBW-UHFFFAOYSA-N 437.540 2.169 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)NCCNc1cc(-n2nc(C)cc2C)nc(C)n1 23144545 IVUAYONVCIOHCE-UHFFFAOYSA-N 430.534 2.295 0 40 IEAB CN1C(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C(=O)C12CCCCC2 24592853 ZOFQINYZBKEBEB-UHFFFAOYSA-N 427.910 2.279 0 40 IEAB CCOc1ccc([C@@H](CNC(=O)CCN2CCSC2=O)N2CCOCC2)cc1OC 24991766 MACGAUJNXWCFGL-QGZVFWFLSA-N 437.562 2.142 0 40 IEAB CS(=O)(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccc(F)cc1 35313300 PSBKMPPVWMCWER-UHFFFAOYSA-N 435.506 2.186 0 40 IEAB O=C(c1ccc(S(=O)(=O)NCc2cccnc2)o1)N1CCN(c2ccccc2F)CC1 35597420 JQXLTMARCDHEJY-UHFFFAOYSA-N 444.488 2.255 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1cc(OC)cc(OC)c1 36594805 OQFYXPCQAZEJIS-MJGOQNOKSA-N 448.545 2.379 0 40 IEAB biogenic C[C@@H](CCc1ccco1)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326044 BXXUKIMWEOBJAT-HJPURHCSSA-N 425.485 2.248 0 40 IEAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2ccccn2)CC1 72335912 UXENQUPYILKBIV-UHFFFAOYSA-N 429.546 2.285 0 40 IEAB C[C@@H](CNC(=O)CCc1ncc(-c2ccc(S(C)(=O)=O)cc2)o1)CN1CCCC1=O 95946540 CPSALPBTWMLQOH-HNNXBMFYSA-N 433.530 2.052 0 40 IEAB COc1cccc(N([C@H](C)C(=O)NCc2nc(-c3cccs3)no2)S(C)(=O)=O)c1 220186483 BQNYXYCAKBCVKY-GFCCVEGCSA-N 436.515 2.278 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 222550769 UPZRZCHNTOVECB-OAHLLOKOSA-N 437.949 2.269 0 40 IEAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3OC)CC2=O)cc1 408656112 MMTAMFMQMPTFCO-INIZCTEOSA-N 440.452 2.407 0 40 IEAB O=C1C[C@H](C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)CN1[C@H]1CCS(=O)(=O)C1 521731418 WNQZCSZRBSSUAS-ZWOKBUDYSA-N 429.542 2.257 0 40 IEAB CC(=O)N1CC(C(=O)N2CCC3(CCCCCc4ccccc4OCCNC3=O)CC2)C1 643566627 VPWNTAKMHWOQOW-UHFFFAOYSA-N 441.572 2.385 0 40 IEAB Cn1cncc1CNC(=O)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595759 LHGICMZUHNMWLQ-URVUXULASA-N 428.508 2.284 0 40 IEAB CC(C)C[C@@H](N)COc1ccc(Cl)cc1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C 2037879810 QYWZJNINILYKND-JOQOYGCGSA-N 441.956 2.436 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nc2ccccc2s1 2685691 ZMJXLKAMRDVHJT-UHFFFAOYSA-N 433.511 2.335 0 40 IEAB COc1ccccc1CNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 8772103 MDSJHRAGYMWPBA-UHFFFAOYSA-N 431.558 2.016 0 40 IEAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2n1 9126789 FPEUMKRXFXUONS-MRXNPFEDSA-N 430.555 2.409 0 40 IEAB Cc1csc(CC(=O)N2CCN(C(=O)CCCn3c(=O)oc4ccccc43)CC2)n1 9385950 WAJRCWQTEJZUSQ-UHFFFAOYSA-N 428.514 2.053 0 40 IEAB C[C@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)c1ccccc1 9787586 YBQSCORCTQNIDE-HNNXBMFYSA-N 429.498 2.100 0 40 IEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1SCC(=O)N1CCCC1 9819495 PAJDPWNGCUCZBQ-UHFFFAOYSA-N 447.538 2.357 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)C2=O)cc1 10027049 CRXFKHSJFIUHJM-FIKIJFGZSA-N 440.481 2.240 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2cc(C(C)C)n([C@H]3CCS(=O)(=O)C3)n2)CC1 11906938 CDKVLPQWYVKRLI-KRWDZBQOSA-N 446.573 2.337 0 40 IEAB COc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4F)cnc32)cc1 12071604 VAVZGKHNYZGWPJ-UHFFFAOYSA-N 435.459 2.148 0 40 IEAB CCn1cc([C@@H]2C[C@H](C(=O)Nc3cc(Cl)ccc3OC)N(C)S(=O)(=O)N2)c(C)n1 12130439 QNYCQGKDFPGAQW-GOEBONIOSA-N 441.941 2.092 0 40 IEAB CCc1ccc(-c2noc(CN3C(=O)N[C@@](C)(c4cccc(-n5cnnn5)c4)C3=O)n2)cc1 12802537 IIXAFLUGYBMHIJ-QFIPXVFZSA-N 444.455 2.242 0 40 IEAB CCc1ccc(N2C(=O)[C@@H]3[C@H](CCC(=O)O)N[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 12874252 MYWHZLRPGLPFRP-GHCZAOPSSA-N 433.464 2.039 0 40 IEAB biogenic O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccc(Cl)cc1 12998232 KNNIOVXTNHQWKM-UHFFFAOYSA-N 439.940 2.492 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NCc3ccc4c(c3)OCCO4)CC2)c1 12998294 OXMDRZGCLRCWKA-UHFFFAOYSA-N 445.541 2.291 0 40 IEAB Cn1c(=O)n(C)c2cc(/C=C3\SC(=O)N(CC(=O)N4CCCCCC4)C3=O)ccc21 13148212 NDKLVQLDTGTLEC-ATVHPVEESA-N 428.514 2.316 0 40 IEAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1cccc(Br)c1 14187999 DGMXCSJIIYCAIB-VLIAUNLRSA-N 447.285 2.419 0 40 IEAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccccc1 15560228 ISLRPXNMSYJTQB-UHFFFAOYSA-N 441.962 2.055 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@@H]1c1ccc(Cl)cc1 18156249 XNADEMJDTBWSLX-RTBURBONSA-N 441.919 2.263 0 40 IEAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)on1 19122305 IOPYQCGJUVRXKA-QGZVFWFLSA-N 433.534 2.084 0 40 IEAB CCn1nc(C)c(CCC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C 19523807 UVVVBDHJJOINFH-JOCHJYFZSA-N 445.589 2.421 0 40 IEAB COc1ccc(CN(Cc2ccnc(N3CCN(C)CC3)n2)C[C@@H]2CCCO2)cc1OC 19590139 AAMSRLQJBKTTNZ-NRFANRHFSA-N 441.576 2.427 0 40 IEAB COc1ccc(NC(=O)CN2CCO[C@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)cc1 19693247 YDOFBTVLUFYSHP-FQEVSTJZSA-N 447.495 2.263 0 40 IEAB COc1ccc(C(=O)N2CCC[C@@H](N3C(=O)NC4(CCN(C(C)C)CC4)C3=O)C2)cc1 19699834 OEVHMCBWAHGUPR-GOSISDBHSA-N 428.533 2.095 0 40 IEAB Cc1nc([C@H]2CCCN(S(C)(=O)=O)C2)nc2c1CC(=O)N2CCCc1ccccc1 19744577 GZPVYWAQIKFFGK-SFHVURJKSA-N 428.558 2.446 0 40 IEAB COc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1 19944543 KNJAKHZLOXJHIG-UHFFFAOYSA-N 449.515 2.253 0 40 IEAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22916020 JKOALPRKSBZNEH-UGKGYDQZSA-N 441.597 2.085 0 40 IEAB CN(Cc1cnn(C)c1)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 25046602 KZNBQYCSYJDQIH-UHFFFAOYSA-N 434.543 2.344 0 40 IEAB CCCOc1ccccc1/C=c1/sc2nc(=O)c(Cc3ccc(OC)cc3)nn2c1=O 27021391 RGLNTZXJAYOTRE-XSFVSMFZSA-N 435.505 2.447 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NC[C@@H]2COc3ccccc3O2)cc1 32862786 NMYBCNSWNOKUKR-GOSISDBHSA-N 433.530 2.154 0 40 IEAB O=C(c1ccc(S(=O)(=O)NCCSCc2cccs2)cc1)N1CCOCC1 40091311 YLIBJTBUTOKHQM-UHFFFAOYSA-N 426.585 2.432 0 40 IEAB COc1cccc(CNC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)c1OC 40478609 LAPQBAADROTTFZ-UHFFFAOYSA-N 425.485 2.153 0 40 IEAB CC(C)(CNC(=O)CCCNC(=O)c1ccc2[nH]nnc2c1)c1ccc2c(c1)OCCO2 84326030 NZACHHXALBBYGV-UHFFFAOYSA-N 437.500 2.333 0 40 IEAB CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 96003387 BFXLAVNAWYBKNJ-FZKQIMNGSA-N 436.350 2.331 0 40 IEAB CCc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@@H]32)cc1 101169899 GYAWGVNLMMLQEQ-WOJBJXKFSA-N 437.456 2.198 0 40 IEAB CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)N1CCOCC1 109007858 HTCGVNZMJUGVGO-GHTZIAJQSA-N 437.606 2.194 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c(OC)c1OC 225510184 JENANMNIEYFYCS-QGZVFWFLSA-N 448.541 2.430 0 40 IEAB CN(CC(=O)NCc1ccc(CN2CCCC2=O)cc1)S(=O)(=O)c1ccc(Cl)cc1 225672109 YWARUAHBNUVPNC-UHFFFAOYSA-N 449.960 2.399 0 40 IEAB CNc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc(CN4CCCC4)cc3)C2)ncn1 257231912 GIRBXPLNCZYGIN-XMMPIXPASA-N 438.576 2.218 0 40 IEAB CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc(O)c4c(n3)CN(C(=O)C3CCC3)CC4)C2)CC1 257256893 KNHXWVRDFRAMDA-KZNAEPCWSA-N 442.560 2.388 0 40 IEAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C[C@H]2CCCO2)N1CCN1CCOCC1 260924282 TXGIRZJFADEZMU-QIJUGHKUSA-N 441.601 2.367 0 40 IEAB O=C(NC[C@H]1CC[C@@]2(COCCN(Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 306129954 ISGBEDFNZSJXKA-RCZVLFRGSA-N 447.539 2.447 0 40 IEAB O=C(CCn1nc(O)c2ccccc2c1=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 501904022 CZSSWQFNCNZLDG-SFHVURJKSA-N 447.451 2.142 0 40 IEAB C[C@@]1(c2ccc(-c3noc(C4CCN(C(=O)N5CCCC5)CC4)n3)cc2)NC(=O)NC1=O 546239038 ARXSABVIDLMZJV-QFIPXVFZSA-N 438.488 2.186 0 40 IEAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)C(=O)N1CCCN(C(=O)OCc2ccccc2)CC1 642881937 HYXPKCRMIHAYBU-QGZVFWFLSA-N 449.504 2.226 0 40 IEAB O=C(Nc1ccc2[nH]nc(NC(=O)[C@@H]3CCc4nccn4C3)c2c1)[C@@H]1CCc2nccn2C1 682518427 ACTFUIIXCSEQEG-HUUCEWRRSA-N 444.499 2.358 0 40 IEAB Cc1nccc(N2CC3(C2)OC(=O)N2CCN(C(=O)Nc4ccc(F)c(C)c4)C[C@@H]23)n1 1549161224 FVSCADUWCZPYHW-QGZVFWFLSA-N 426.452 2.160 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]3NC(=O)c4ccccc4OCCC=CC[C@@H]32)c1 2037818653 FLLFXWMIIRAKRM-ROUUACIJSA-N 430.530 2.101 0 40 IEAB COc1cccc(CNC(=O)c2nc3c(s2)CCN(CC(=O)N2CCCC2)CC3)c1 2055793386 WHZHFNBEXWUIHV-UHFFFAOYSA-N 428.558 2.105 0 40 IEAB O=C([C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1)N1CCOCC1 8299253 QZTNIEZCBDNGNP-QFUCXCTJSA-N 427.574 2.140 0 40 IEAB biogenic,in-vitro CCOC(=O)c1sc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)nc1C 8672465 IUUOOVWACRMKTQ-UHFFFAOYSA-N 433.515 2.312 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)OC(=O)C2=COCCO2)c1 8719178 KKAVLQOIGXEPDR-LBPRGKRZSA-N 446.909 2.129 0 40 IEAB Cc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC(C(N)=O)CC4)c12)OC(C)(C)CC3 8876925 UVGNILZWZMUJKR-UHFFFAOYSA-N 428.485 2.308 0 40 IEAB biogenic COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)NC(C)(C)C)C2=O)cc1 8930273 VUPKGNDABQGDQY-UHFFFAOYSA-N 425.485 2.414 0 40 IEAB COC[C@H](C)NC(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 9481891 XTWFTQYRENIZLK-ZDUSSCGKSA-N 427.548 2.246 0 40 IEAB CN(C)CCCn1c2c(c(SCC(=O)Nc3ccc4c(c3)OCO4)nc1=O)CCC2 9745768 JMFFDWKSQDQJOP-UHFFFAOYSA-N 430.530 2.143 0 40 IEAB Cc1cc(C)nc(SCCn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248518 DCRTZGLSWNEYEQ-UHFFFAOYSA-N 429.550 2.003 0 40 IEAB Cc1nc(SCC(=O)c2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525476 MGOQHCKJMGBSRN-UHFFFAOYSA-N 442.497 2.158 0 40 IEAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)OCc1nnc(-c2ccccc2)o1 10761947 SHUZQGPYAAXRPW-UHFFFAOYSA-N 430.438 2.415 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)c2n[nH]c3ncccc23)CC1 12088231 FDDNTLZPNHJEKN-SFHVURJKSA-N 427.530 2.030 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)cc1OC 12222642 UOYAZDDEVFVPJY-UHFFFAOYSA-N 431.514 2.269 0 40 IEAB Cc1cccc(N2CCN(C(=O)Cc3csc(NC(=O)c4ccc(=O)[nH]c4)n3)CC2)c1 12440083 TWXRFUUDPCGDIO-UHFFFAOYSA-N 437.525 2.283 0 40 IEAB CCCOc1ccc(N2C(=O)C(=O)N(Cc3nnnn3C3CC3)C2=O)cc1OCCC 12737611 HRBVQHKGHKIMSD-UHFFFAOYSA-N 428.449 2.081 0 40 IEAB Cn1nc(C(=O)O[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)c2ccccc2c1=O 12938380 FBAHWCMPMUZJBL-GOSISDBHSA-N 437.427 2.451 0 40 IEAB Cc1sc2ncn(CC(=O)NC[C@@H](c3ccc(F)cc3)N3CCOCC3)c(=O)c2c1C 14241211 MDTHOAWZTRWHMP-SFHVURJKSA-N 444.532 2.404 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)c(=O)[nH]c1=O 14670232 DARKVVOCKGBTOP-UHFFFAOYSA-N 447.536 2.343 0 40 IEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 15315523 LCNWSDRDTVIJOY-UHFFFAOYSA-N 441.509 2.486 0 40 IEAB CCNC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCc3c(C)noc3C)cc2)C1 15672094 NQATULHGRUMSHM-WOJBJXKFSA-N 430.505 2.155 0 40 IEAB biogenic,in-vitro O=C(COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)Nc1ccccc1 16689919 ZQDXQUFSCQUXMC-UHFFFAOYSA-N 437.452 2.208 0 40 IEAB COc1ccc(CN(C)C(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1OC 20492633 ILKUUGYLLIFOAL-UHFFFAOYSA-N 436.530 2.133 0 40 IEAB COc1ccc(CN(C)C(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1OC 32674201 KTAVPQUUJLJECZ-HXUWFJFHSA-N 445.541 2.426 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)N1CCc2ccccc21 36386806 XUQZRWDGQARYCX-UHFFFAOYSA-N 437.924 2.375 0 40 IEAB COc1nn(C)cc1C(=O)Nc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 44224807 XURUJAGMNHRYJR-UHFFFAOYSA-N 442.501 2.400 0 40 IEAB COC(=O)c1cc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)oc1C 58018438 PVIWCHGRBIOABA-UHFFFAOYSA-N 434.392 2.145 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)NC[C@@H](c2cccs2)N2CCCC2)s1 58171870 IETVLEWBMWSWPO-AWEZNQCLSA-N 428.605 2.136 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)Cc4nonc4C)C3)c2)cn1 72353667 QMHZFCUPJSFWSN-QGZVFWFLSA-N 434.500 2.452 0 40 IEAB COc1ccc(C(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)nc1I 89927854 YKYZQRUGDPCVLH-WDEREUQCSA-N 431.274 2.214 0 40 IEAB CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NCCN3CCCC3)cn12 96156791 VYCOPWQFGWCVQH-OAQYLSRUSA-N 439.608 2.032 0 40 IEAB CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)s1 225754741 FGXZFIVDSPOIIA-UHFFFAOYSA-N 441.604 2.147 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1C21CCCCC1 247430290 ULJQFMBPPQGCOO-ZDDTUDGMSA-N 434.539 2.064 0 40 IEAB CC(=O)Nc1ccc(OCC(=O)N2CCC([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)CC2)cc1C 257255615 KIFAVQUTCZENQG-NYVOZVTQSA-N 444.532 2.005 0 40 IEAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)CN)C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@@H]1O 257273647 NHOMBPGSJSAPIL-QCFAMHMHSA-N 437.462 2.162 0 40 IEAB COc1ccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cc(C)ccc2OC)cc1OC 408557253 FZRIWPWPGOXJJW-OAHLLOKOSA-N 436.530 2.047 0 40 IEAB Cc1ccc(OC[C@@]2(O)CN(CC3(O)CCN(c4ccccc4F)CC3)CC[C@@H]2O)cc1 585284368 XJACFQMWPSJDBH-ZCYQVOJMSA-N 444.547 2.342 0 40 IEAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)C1=O 3369191 JPMMZNDLYFEDOU-UHFFFAOYSA-N 431.276 2.289 0 40 IEAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 4163037 ROYJSAZENLUHDV-UHFFFAOYSA-N 446.569 2.279 0 40 IEAB CSCC[C@H](NC(=O)CCCCCNC(=O)N1CCn2c1nc1ccccc12)C(=O)O 8792105 HCWIYMYDYVRPTH-INIZCTEOSA-N 447.561 2.449 0 40 IEAB biogenic COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3cccc(OC)c3)c2=O)cc1 9660589 FXEXLFMSJAHYDB-UHFFFAOYSA-N 446.463 2.262 0 40 IEAB COc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)c(OC)c1 9661050 GJDYUDOJCFXUGM-UHFFFAOYSA-N 433.461 2.045 0 40 IEAB COC(=O)C1CCN(C(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)CC1 10541892 ITNGXEDWHRPPDN-UHFFFAOYSA-N 446.525 2.302 0 40 IEAB COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)cc1 11665831 GLWIBRBKSZEEIZ-UHFFFAOYSA-N 443.511 2.419 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N(C)C3CCCCC3)CC1)O2 12087085 SOFHYPZBMLJJNT-XMMPIXPASA-N 443.544 2.360 0 40 IEAB CN(CC(=O)Nc1ccccc1Br)C(=O)CNC(=O)NCc1ccccc1 12776669 JAPGOEGOPKVBHE-UHFFFAOYSA-N 433.306 2.345 0 40 IEAB O=C(CN1CCN(C(=O)c2cc(Br)ccc2O)CC1)NCc1ccccc1 13005277 ODZPWLKOIUKXAV-UHFFFAOYSA-N 432.318 2.229 0 40 IEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2)c(=O)[nH]c1=O 13134215 PHQSWVLYIJYYNK-UHFFFAOYSA-N 428.876 2.266 0 40 IEAB CC(C)(C)C1=NN(CC(=O)NCCCN2CCOCC2)C(=O)c2cc3ccccc3n2C1 19082263 QPLZTQMQEXCGGZ-UHFFFAOYSA-N 439.560 2.338 0 40 IEAB COc1ccc(CN2CCc3c(O)nc([C@@H]4CCN(C(=O)[C@@H]5CCCO5)C4)nc3C2)cc1 19555630 OALOIAZRVIPDJN-UTKZUKDTSA-N 438.528 2.244 0 40 IEAB CN1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)COc3ccccc3F)nc2)CC1 19708173 IOQQBRQHDHJRMU-FQEVSTJZSA-N 426.492 2.351 0 40 IEAB CC(=O)NCC(=O)N1CCC(c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)CC1 19739490 DFBHVPXBNTYWCD-UHFFFAOYSA-N 449.555 2.149 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)COc3cccc(N(C)C)c3)C2)ncc1C(=O)N1CCCC1 19757418 GYTOBNYMUYYDGR-GOSISDBHSA-N 437.544 2.482 0 40 IEAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2cnn(C)c2C)ncc1C(=O)N1CCCCC1 19765704 IZJMYGAPWDAINZ-SFHVURJKSA-N 446.577 2.369 0 40 IEAB Cc1ccc(NC(=O)CSc2nc(=O)n(CCCN3CCOCC3)c3c2CCC3)cc1 22909015 YAGIYWUZVALPQD-UHFFFAOYSA-N 442.585 2.494 0 40 IEAB CCCCn1c(N)c(N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1=O 23186730 FZNIOXOZPGIOCW-UHFFFAOYSA-N 446.511 2.362 0 40 IEAB COc1ccc([C@@H](CNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)N2CCOCC2)cc1 29993625 MBFKBLUBPYTMDM-FYYLOGMGSA-N 437.540 2.233 0 40 IEAB CCOC(=O)c1ccsc1NC(=O)CN1CCc2cc(S(=O)(=O)N(C)C)ccc21 32858033 PRVGSGIEDDCYDN-UHFFFAOYSA-N 437.543 2.176 0 40 IEAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1cccc(Br)c1 44893377 ZRLAOHXQNHCUHC-UHFFFAOYSA-N 442.273 2.112 0 40 IEAB CC(=O)c1ccc(N2CCN(c3ncc4c(=O)n(-c5ccccc5)c(O)nc4n3)CC2)cc1 77100683 DBJPUWPBXZCRFE-UHFFFAOYSA-N 442.479 2.411 0 40 IEAB COC(=O)Nc1ccccc1OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 79051054 DYHURLPFDYPOEV-UHFFFAOYSA-N 437.474 2.141 0 40 IEAB Cn1cc(CN2CCCN(C(=O)Nc3ccc(CCN4CCOCC4)cc3)CC2)cn1 79110601 KCBOLVJOJBACTB-UHFFFAOYSA-N 426.565 2.035 0 40 IEAB O=C(NCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1)c1ccccn1 100180870 FBXWZDRDYQSYPE-LAMIGIBBSA-N 448.523 2.273 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1Cl 223009066 QZHNGXMQBBZGOA-UHFFFAOYSA-N 432.951 2.304 0 40 IEAB COc1cccc2cc(C(=O)N3CCCN(S(=O)(=O)c4c(C)n[nH]c4C)CC3)oc12 239612064 FJAIJZNTYJVVBT-UHFFFAOYSA-N 432.502 2.318 0 40 IEAB Cn1ccc(C(=O)N2CCC[C@@](COc3ccc(F)cc3)(CC(=O)N3CCOCC3)C2)n1 257262764 LMUYQTLFFRULHS-HSZRJFAPSA-N 444.507 2.110 0 40 IEAB O=S(=O)(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1ccc(-n2cccn2)cc1 575612482 MSBHGZXEEIMOSX-JOCHJYFZSA-N 427.526 2.465 0 40 IEAB Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2)c1 612149967 MZGIZQSHIQWRIY-GOSISDBHSA-N 435.528 2.126 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccccc3OC)cc2C1=O 1788389 CFXGLAWUVNRBQH-UHFFFAOYSA-N 426.425 2.123 0 40 IEAB COCC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4cc(Cl)ccc4OC)cc3C(=O)N2C1 8297410 SQDNTVAWZFETJC-KSSFIOAISA-N 443.887 2.313 0 40 IEAB biogenic,in-vitro CC(=O)N1C[C@@H](N[C@@H](Cc2c[nH]cn2)C(=O)O)C(c2ccc(Oc3ccccc3)cc2)=N1 8781412 XFTRHCIMFJAQGE-LEWJYISDSA-N 433.468 2.422 0 40 IEAB COc1cc(OC)c2cc(C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)O)C(C)C)n(C)c2c1 8791997 XUNJTZNAIXYURM-KXBFYZLASA-N 431.489 2.026 0 40 IEAB biogenic CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccc(OC)cc1 8995399 UBENITWJZOHZRX-NHCUHLMSSA-N 436.512 2.224 0 40 IEAB O=C(CSc1nnnn1Cc1ccccc1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 9581157 QVGSBXAMEIBXMD-SFHVURJKSA-N 443.554 2.034 0 40 IEAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(C(N)=O)cc3)cs2)cc1 9828678 KFASIANIESNPHS-UHFFFAOYSA-N 446.510 2.233 0 40 IEAB COCCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(C(=O)OC)cc1 9934314 AKMPRCGQRXDSCF-GOSISDBHSA-N 425.441 2.286 0 40 IEAB O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)NC(=O)NCc1ccco1 9956187 RDWYQNQWCFJJJI-DEOSSOPVSA-N 446.463 2.295 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1 11665883 QBYJKMSGIGMQBM-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB COc1ccc(CCNC(=O)c2nnc3n(c2=O)CCN3c2ccc(C)cc2)cc1OC 12233801 KWRLGUDYBOCRRK-UHFFFAOYSA-N 435.484 2.088 0 40 IEAB O=S(=O)(c1ccccc1F)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 12769875 PISYTGMKKCUKNE-UHFFFAOYSA-N 438.488 2.466 0 40 IEAB CC1=NN(c2cccc(C(=O)O)c2)[C@H](O)/C1=C\c1c(C)[nH]n(-c2cccc(C(=O)O)c2)c1=O 13915057 KMFZHXPXAXGWSV-ZMUHTPIZSA-N 448.435 2.468 0 40 IEAB O=C([C@H](NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1)N1CCCC1 15501284 YDEUUFCHOOKTIK-JOCHJYFZSA-N 443.569 2.161 0 40 IEAB CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)S(=O)(=O)c1ccc(F)cc1 15910875 AFCYVCSYPKDSEE-UHFFFAOYSA-N 434.898 2.142 0 40 IEAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)CN1CCc3ccccc3C1)C2 19707307 CYVYIGLKNABPNL-JOCHJYFZSA-N 448.571 2.145 0 40 IEAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(CC(=O)Nc1ccccc1F)CC2 19710551 AOQDBFVJDXGPTI-INIZCTEOSA-N 440.523 2.380 0 40 IEAB O=C(NCCCN1CCCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 20488401 AXRDKIWLJVTYKF-UHFFFAOYSA-N 427.998 2.484 0 40 IEAB CC[C@@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22327173 XTVMKDAEPBKILP-GOSISDBHSA-N 438.571 2.432 0 40 IEAB O=C(C1CC1)N1CCN(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)CC1 23844492 TUDWWUXABQAZJW-VWLOTQADSA-N 432.524 2.188 0 40 IEAB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)N3CCN(C)CC3)n2C)C(C)C)cc1 25180742 CIKJPHILSFGONF-LJQANCHMSA-N 444.605 2.117 0 40 IEAB Cn1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1 25321824 YEZIQMJUTVQIGC-SNVBAGLBSA-N 433.353 2.284 0 40 IEAB COc1ccc(S(=O)(=O)NCCNC(=O)NCc2ccccc2OC(F)(F)F)cc1 29326976 MTALVTFXZRQEKG-UHFFFAOYSA-N 447.435 2.372 0 40 IEAB COc1ccc(OC)c([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)c1 35088561 BDPLDTAWXWEASQ-VKJFTORMSA-N 425.363 2.203 0 40 IEAB COc1cc(CC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)cc(OC)c1OC 40157928 KFJOGUGMRFBFBI-GOSISDBHSA-N 427.501 2.343 0 40 IEAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)Nc3cc(C)on3)c2=O)c1 57426814 AKTMOGNRPMXUNO-UHFFFAOYSA-N 426.454 2.217 0 40 IEAB CCCCN1CCN(c2ncc(S(=O)(=O)c3ccc(OC)c(Cl)c3)c(N)n2)CC1 71771621 ARXWNFPJYYFFDU-UHFFFAOYSA-N 439.969 2.476 0 40 IEAB COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN(CC(C)C)c3cccc(O)c3)C2=O)c1 72308471 MVJDRXRIXHXJCG-QHCPKHFHSA-N 440.500 2.362 0 40 IEAB COc1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5ccccc5[C@@H]4[C@H]3C2=O)cc1OC 79483205 SGNZOGHXIPCUNW-NUJGCVRESA-N 438.461 2.182 0 40 IEAB CCN1CC[C@]2(CN(Cc3cccnc3)CC23CCN(S(=O)(=O)CC(C)C)CC3)C1=O 96262672 LSVYNPUKEJFRRD-QHCPKHFHSA-N 448.633 2.204 0 40 IEAB COc1cc(N(CC(=O)NCc2ccccc2OC)S(C)(=O)=O)c(OC)cc1Cl 220054826 OUEVTJDPEALQCX-UHFFFAOYSA-N 442.921 2.448 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1cc(C)ccc1C 224009333 VPQFHTCWBWXHSN-UHFFFAOYSA-N 448.541 2.142 0 40 IEAB CCSc1nnc(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)CC)s1 225634157 RAZYJKQZQKXCCQ-UHFFFAOYSA-N 430.533 2.174 0 40 IEAB Cn1c(=O)c2ccc([C@@H]3CCN(C(=O)c4ccncc4)C3)nc2n(Cc2ccccc2)c1=O 257212129 CCBBFWAYISFWTD-LJQANCHMSA-N 441.491 2.168 0 40 IEAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408665256 REMJWRZNYZSMQJ-NHUSPQTBSA-N 438.480 2.203 0 40 IEAB COc1cc(C(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)ccn1 585284879 JWUABWWBIGEFJL-NRFANRHFSA-N 433.892 2.218 0 40 IEAB CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCC3(CC2)OCCO3)c2ccccc21 3007549 KEDPWLAQHQHJRR-UHFFFAOYSA-N 427.501 2.058 0 40 IEAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)NCCc1ccccc1 3620573 VSQPPEDXMJMLLI-UHFFFAOYSA-N 430.526 2.377 0 40 IEAB CN(C)c1ccc(C(=O)N[C@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccco5)n4)CO[C@H]23)cc1 5398616 SSYWWCZYQWJCGT-FMWKFLBASA-N 435.484 2.179 0 40 IEAB biogenic,in-vitro CCCS(=O)(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)COc3ccccc3)C1)C2 8263719 MUZREEQPHDJAPA-DLBZAZTESA-N 445.541 2.025 0 40 IEAB biogenic,in-vitro CC(=O)N1C[C@@H](N[C@H](Cc2c[nH]cn2)C(=O)O)C(c2ccc(Oc3ccccc3)cc2)=N1 8781413 XFTRHCIMFJAQGE-NHCUHLMSSA-N 433.468 2.422 0 40 IEAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)N1CCC(Cc2ccccc2)CC1 8848628 ZAGXKDRWHQHUGD-UHFFFAOYSA-N 445.523 2.038 0 40 IEAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)C(=O)N(CCC3=CCCCC3)C1=O)OCO2 9125473 KGNYWGQIRVTIPQ-UHFFFAOYSA-N 441.440 2.238 0 40 IEAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 9155351 ZGNFBNQDXHXDTL-WMLDXEAASA-N 434.587 2.330 0 40 IEAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 9155352 ZGNFBNQDXHXDTL-RHSMWYFYSA-N 434.587 2.330 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc2c(c1)OCCCO2 9216859 CUMKXLDMQFNJPU-CQSZACIVSA-N 448.497 2.315 0 40 IEAB CC(=O)c1ccc(NC(=O)CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)cc1 9382356 CCYQXMYHVQTWAE-UHFFFAOYSA-N 441.513 2.084 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)OCCO2 9510002 DGJFLEAVGAOZIZ-CQSZACIVSA-N 448.497 2.201 0 40 IEAB Cc1cc(C)c(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)c(=O)[nH]1 9932210 ZKDBTAJDBZLROB-UHFFFAOYSA-N 428.514 2.403 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN(C)Cc2ccccc2N2CCOCC2)CC1 10056893 VUPCQMIKRTWOGE-UHFFFAOYSA-N 438.572 2.312 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H](c2cccs2)n2nnnc2N1 10232383 UQVNSFIZPAVBAK-MRXNPFEDSA-N 427.442 2.077 0 40 IEAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 11432924 NDAFIXCRPUUBFW-OAHLLOKOSA-N 434.518 2.433 0 40 IEAB CN(C)c1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 11796293 HLNUYUMZFNZUMQ-UHFFFAOYSA-N 448.564 2.164 0 40 IEAB CCOC(=O)N1CCC(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 12752816 GKKNIEFODQTTDM-UHFFFAOYSA-N 437.562 2.141 0 40 IEAB Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)c1C 13032521 LBEHAWZKMWQWAU-UHFFFAOYSA-N 440.543 2.372 0 40 IEAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 14248491 HYLGGLAEUWFARO-JOCHJYFZSA-N 439.537 2.484 0 40 IEAB COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 15420297 HBIGCGINJAOECK-UHFFFAOYSA-N 438.889 2.400 0 40 IEAB O=C(COc1ccccc1Cl)N1CCc2cc(S(=O)(=O)N3CCOCC3)ccc21 15716883 CSUUAQYFFMLKNR-UHFFFAOYSA-N 436.917 2.329 0 40 IEAB Cc1cccc(NC(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1 17123223 ZAFGCOASADVBFK-UHFFFAOYSA-N 437.481 2.326 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCNC(=O)Nc3ccccc3)CC2)cc1 17814335 FMCVEWHUAFXKMA-UHFFFAOYSA-N 444.557 2.430 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCNC(=O)c1cccs1 19626321 BYKLCUOEWRNYNI-UHFFFAOYSA-N 425.532 2.156 0 40 IEAB CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2cnc(NC)nc2)C1 19739226 LQAQACBTNOFHLW-QFIPXVFZSA-N 426.521 2.375 0 40 IEAB O=C(NCCNc1ccc(-n2cccn2)nn1)c1ccccc1I 19924268 HHMHWSZEYSZABQ-UHFFFAOYSA-N 434.241 2.109 0 40 IEAB CCOC(=O)C1=C(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)NC(=O)N[C@H]1c1ccco1 32797388 LNUJTRPFPWAUNJ-DJJJIMSYSA-N 447.513 2.205 0 40 IEAB CN(C)S(=O)(=O)c1ccc(=O)n(CCC(=O)N[C@@H](c2ccccc2)c2cccs2)c1 32871129 YNUBSACBJGQSCM-NRFANRHFSA-N 445.566 2.456 0 40 IEAB COc1ccc(-c2cc3c4nn(CC(=O)Nc5ccccc5OC)c(=O)n4ccn3n2)cc1 38487545 HNDFIXMZAJLSRT-UHFFFAOYSA-N 444.451 2.467 0 40 IEAB CCN(C(=O)CN(C)Cc1nc([C@@H]2CC(=O)N(C)C2)cc(N(C)C)n1)c1cccc(C)c1 72352044 GSMAXHPOTCIVFT-GOSISDBHSA-N 438.576 2.282 0 40 IEAB O=C(NCCc1ccncc1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95480641 ZVTPICDHTLONMH-ZDUSSCGKSA-N 428.290 2.432 0 40 IEAB CCN(CC)S(=O)(=O)CC(=O)OCc1cnn(Cc2ccc(Br)cc2)c1 97107095 LZGQAPHHUWUINI-UHFFFAOYSA-N 444.351 2.409 0 40 IEAB Cc1cc2nc([C@H](C)NS(=O)(=O)c3cc(N4CCCC4=O)ccc3C)cc(O)n2n1 100217889 WMLTYNBRPDYXMH-AWEZNQCLSA-N 429.502 2.218 0 40 IEAB CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@H]32)cc1 101169092 CMKAPXBCMPNDGP-ROUUACIJSA-N 429.383 2.295 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)NCCSc1ccc(Br)cc1 102398180 LYBZSCDXXWSGET-SYWGBEHUSA-N 435.343 2.465 0 40 IEAB COc1ccccc1N1C(=O)[C@@H]2[C@@H]3C(=C(N)S[C@H]2C1=O)C(=O)Oc1c(OC)cccc13 107166644 PBGGRYKGHUOGTD-IIDMSEBBSA-N 438.461 2.182 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCc4ccccc4C3)c2)CC1 220010318 JESURRZPMNNPEY-UHFFFAOYSA-N 433.961 2.475 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222934293 CKJFJCGEJLHIAR-HXUWFJFHSA-N 431.558 2.314 0 40 IEAB CNC(=O)c1ccc(-c2ccc([C@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)nc2)cn1 257306346 STXCLOOVDZEPBQ-JOCHJYFZSA-N 437.544 2.135 0 40 IEAB Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 408653627 JDANCCQEWCGSJO-AWEZNQCLSA-N 429.860 2.324 0 40 IEAB C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705217 ZTZHXJJPVQMVOY-CYBMUJFWSA-N 434.470 2.022 0 40 IEAB O=C(CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1)NCC(F)(F)F 3439905 HQYHOYRDQVITOT-UHFFFAOYSA-N 442.467 2.336 0 40 IEAB Cc1cc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)no1 9519721 GBXWEPBLRPZLLN-UHFFFAOYSA-N 444.513 2.363 0 40 IEAB C[C@]1(c2ccco2)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)C1=O 9591620 JWDUUVNMCQTUTE-GOSISDBHSA-N 448.361 2.285 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(=O)n(C)c1=O 9665647 SVOIWVIXVQHCCT-UHFFFAOYSA-N 428.272 2.132 0 40 IEAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)o2)cc1S(=O)(=O)N1CCOCC1 9885402 SBCOPJOCWXKCEY-UHFFFAOYSA-N 438.531 2.007 0 40 IEAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 9993024 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O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 17155493 LZEXNVPZROWNKC-UHFFFAOYSA-N 446.920 2.030 0 40 IEAB O=C(OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc2c(c1)CCC2 18277762 BOPOYIRNOZWSND-UHFFFAOYSA-N 442.537 2.006 0 40 IEAB Cc1cc2ccccc2n2c(=O)n(CCNC(=O)CCc3nc4ccccc4oc3=O)nc12 19126967 JYRGWFDPOZBWBU-UHFFFAOYSA-N 443.463 2.208 0 40 IEAB CN1CCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)c4cnccn4)C3)n2)CC1 19590122 AEGYSRGFQMIZRZ-IBGZPJMESA-N 444.543 2.100 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc1)CC2 19797408 PTWINZDSFKSKOW-CQSZACIVSA-N 444.509 2.215 0 40 IEAB CC(C)(C)N1C[C@@H](C(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)CC1=O 20354419 CKOKANLTEVRZMA-FQEVSTJZSA-N 440.588 2.221 0 40 IEAB O=C(NCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Br 20734058 ZFYZQPQJQMNSNP-AWEZNQCLSA-N 430.302 2.348 0 40 IEAB CCN(CC)C(=O)CSc1nnc(SCc2noc(-c3ccc(F)cc3)n2)n1N 21761400 YMELHZSKQYYYDP-UHFFFAOYSA-N 437.526 2.434 0 40 IEAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 22228653 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IEAB CS(=O)(=O)N1CCC(Cc2nccnc2N2C(=O)OC[C@H]2Cc2ccccc2)CC1 257211493 BZBDWTYRPIDXKJ-GOSISDBHSA-N 430.530 2.259 0 40 IEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCNC(=O)c1cccnc1)[C@]1(C2)NC(=O)c2ccccc2N1 257228940 FVYFDURXIJUDAC-ZGZPNVMRSA-N 447.539 2.306 0 40 IEAB CNc1nc([C@@H]2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)C2)nc2c1CN(C)CC2 257245885 IRMPBSLXQDPBOK-MRXNPFEDSA-N 445.589 2.310 0 40 IEAB COc1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1C(=O)N1CCOCC1 408693184 JZZGOALTRLHFNB-UHFFFAOYSA-N 434.558 2.415 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)c5ccc(C(F)(F)F)nc5)C[C@@H]4C3)nn12 1888913313 LHPURQDSPPCKTJ-KBPBESRZSA-N 431.422 2.309 0 40 IEAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c1 8690438 UWLQLFDMZYCJEY-UHFFFAOYSA-N 436.461 2.221 0 40 IEAB O=C(NC1=NCCS1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 9125480 MVVPKALEGQEZJF-UHFFFAOYSA-N 438.394 2.130 0 40 IEAB COc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)c(OC)c1 9827586 WQBGSUJTWUBJQG-UHFFFAOYSA-N 448.545 2.182 0 40 IEAB COc1ccc(OC)c(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2Cc2ccccc2)c1 11845039 BOQXYKULYXBUSB-UHFFFAOYSA-N 448.479 2.357 0 40 IEAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)CN2CCCCC2)CC1 12133016 DHLUURVXDADNFU-UHFFFAOYSA-N 443.573 2.134 0 40 IEAB COc1cccc2cc(-c3ccc(OCC(=O)N[C@H]4C=CS(=O)(=O)C4)cc3)c(=O)oc12 12409749 LYRJHNQXCZMCQZ-INIZCTEOSA-N 441.461 2.274 0 40 IEAB O=C([C@@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12568059 UIFREOACJYQGOF-AWEZNQCLSA-N 428.919 2.074 0 40 IEAB Cc1c(NC(=O)[C@H](C)N2C(=O)NC3(CCC(C)CC3)C2=O)c(=O)n(-c2ccccc2)n1C 12624608 HFVFVXCCFUZKBG-LTIDEOFWSA-N 439.516 2.312 0 40 IEAB CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ncccn2)CC1 12785207 PUZJJAQAIBJKCY-KRWDZBQOSA-N 446.349 2.342 0 40 IEAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 12860442 VTEWHPDAOFBJBN-UHFFFAOYSA-N 432.498 2.318 0 40 IEAB COc1ccc(C(=O)NCCC(=O)OC(C)C)cc1S(=O)(=O)N1CCCCCC1 12983300 JLHAMQZDQMZENE-UHFFFAOYSA-N 426.535 2.331 0 40 IEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 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437.496 2.468 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 20105332 ZEYCRAFUOOXJKY-UHFFFAOYSA-N 432.498 2.196 0 40 IEAB CCOc1ccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1 20460884 XEDXUAUWSATBNG-UHFFFAOYSA-N 428.514 2.353 0 40 IEAB COc1ccc([C@H](C)NC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1OC 20493309 OWPKDXDODANPIW-HNNXBMFYSA-N 436.530 2.351 0 40 IEAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2Cl)N2CCN(C)CC2)cc1 22836281 UAUMSSBJYMXZOH-FQEVSTJZSA-N 430.936 2.392 0 40 IEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 23221575 MQKKSTJRLOIBMF-HNNXBMFYSA-N 425.422 2.395 0 40 IEAB Cc1ccc2nc(COC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)cc(=O)n2c1 23623976 GYCBXVRWEDZTNJ-CMJOXMDJSA-N 440.500 2.183 0 40 IEAB O=C(CCNC(=O)c1ccc(-c2ccc(Cl)cc2)s1)N[C@@H]1CCS(=O)(=O)C1 40094490 FTEDMJORNTVIRZ-CQSZACIVSA-N 426.947 2.492 0 40 IEAB CCC(CC)NS(=O)(=O)c1ccc(NCc2ccc(N3CCN(C)CC3)nc2)nc1 40149456 YKJBCDWZXXXTPO-UHFFFAOYSA-N 432.594 2.307 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1 40154413 OLTFFPHNQLVNKT-INIZCTEOSA-N 435.571 2.080 0 40 IEAB COc1ccc(-n2c(-c3cccs3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1OC 40158772 TUGQFQUKIFQNEP-UHFFFAOYSA-N 437.481 2.421 0 40 IEAB COc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1OC 44900388 PEENEMNFFQDRQG-UHFFFAOYSA-N 434.514 2.427 0 40 IEAB Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)N3CCOCC3)c(=O)c3ccc(C)nc32)c1 49002294 YYXSWOHLHCAZKS-UHFFFAOYSA-N 434.496 2.433 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@@H](C)C(=O)N3CCCC[C@@H]3C)CC1)NC2=O 72327504 BWWVXQTZMWKGBK-KXNSMUHISA-N 429.517 2.316 0 40 IEAB COc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)nc1I 89927858 YKYZQRUGDPCVLH-QWRGUYRKSA-N 431.274 2.214 0 40 IEAB Cc1csc(CN(C)C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)n1 95960284 FTDZLQVFNZQRGV-UHFFFAOYSA-N 447.586 2.493 0 40 IEAB Cc1nc(-c2cccc(NC(=O)COC(=O)c3ncsc3S(N)(=O)=O)c2)cs1 96012733 RNQGQLHPVYMRDJ-UHFFFAOYSA-N 438.512 2.018 0 40 IEAB CCS(=O)(=O)[C@@](Br)(I)[C@@H](O)c1cccc(N)c1 96521115 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DHTGXXXUBPPJRR-KRWDZBQOSA-N 438.436 2.211 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2C)C1 408658258 QLLBRTTWUOHPET-INIZCTEOSA-N 439.468 2.069 0 40 IEAB COC(=O)COc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1Cl 409235628 COAHDGBLHIFIEC-UHFFFAOYSA-N 443.905 2.430 0 40 IEAB Cc1cc(=O)c(C(=O)N2CC[C@H](N3CCOC3=O)C2)nn1-c1ccccc1C(F)(F)F 1130824694 SIBAJBGRHANASM-ZDUSSCGKSA-N 436.390 2.226 0 40 IEAB CC(C)CNC(=O)NC(=O)COC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 3433659 RHLQKUSNYQGPKE-UHFFFAOYSA-N 447.513 2.150 0 40 IEAB O=C(NCCCc1ccccc1)[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 8764621 ISMJPIZKTNKKRE-ZNNUDVHBSA-N 432.476 2.451 0 40 IEAB COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1 9510008 ULYVTFIOHWQUIO-IRXDYDNUSA-N 432.542 2.466 0 40 IEAB CCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(OC)c1 9584145 PSTONNNGCCCCGE-UHFFFAOYSA-N 442.497 2.341 0 40 IEAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N1CCN(c2ncccn2)CC1 9779073 DIEYZWAVVCDSJF-UHFFFAOYSA-N 441.586 2.496 0 40 IEAB COCCCNC(=O)CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12 9831320 WTHYZUNCHQMHFK-UHFFFAOYSA-N 437.475 2.317 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc1Cl 11905006 PUBLQLZVFISXKW-LLVKDONJSA-N 444.918 2.462 0 40 IEAB C[C@@H](C(=O)N1Cc2cc(Cl)ccc2OC2(CCOCC2)C1)N1C(=O)NC(C)(C)C1=O 12122062 XOEOQYPDQVYDOM-ZDUSSCGKSA-N 435.908 2.329 0 40 IEAB COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cn1 12526251 UASHIVCTCFHUDA-UHFFFAOYSA-N 439.453 2.313 0 40 IEAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)Cn1c(=O)n(C)c2ccccc21 12757805 RZWFDCWMSMXKOW-UHFFFAOYSA-N 436.390 2.336 0 40 IEAB Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 13070881 DZDJBAQIHPOVKY-UHFFFAOYSA-N 446.525 2.068 0 40 IEAB CCCn1c(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)n[nH]c1=O 14070045 LKVFFMWDBKJQNB-UHFFFAOYSA-N 429.502 2.260 0 40 IEAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 14095634 YNUVETZJQKHIHG-OAHLLOKOSA-N 431.514 2.486 0 40 IEAB Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1C 15964233 GOLJNIUKAGNWKQ-UHFFFAOYSA-N 443.569 2.287 0 40 IEAB Cn1c(=O)c2c(nc3n(-c4ccc5c(c4)COC5=O)c(-c4ccccc4)cn23)n(C)c1=O 16363748 GDLKXMBRNQZEKZ-UHFFFAOYSA-N 427.420 2.013 0 40 IEAB Cc1nc2cc(C(=O)N[C@H]3CCc4ccc(S(=O)(=O)N5CCOCC5)cc43)ccc2[nH]1 19749617 BGLFYKADZMXQON-IBGZPJMESA-N 440.525 2.310 0 40 IEAB NC(=O)c1c(NC(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)sc2c1CCC2 23063907 FADGUNNXBKBCSZ-UHFFFAOYSA-N 441.509 2.254 0 40 IEAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1)c1cccc(Br)c1 24702390 ZQPBJYKIWOACKV-UHFFFAOYSA-N 445.317 2.451 0 40 IEAB COc1cc(NC(=O)[C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC 32088647 YAZALWDCRLNSDA-GJZGRUSLSA-N 441.484 2.209 0 40 IEAB C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(C(=O)c4cccs4)CC3)c2C(N)=O)C1 35313062 OTZWKVHEFUHJJI-CYBMUJFWSA-N 446.598 2.430 0 40 IEAB O=C(Nc1ccccc1)C1CCN(C(=O)c2nc(N3CCOCC3)ncc2Cl)CC1 40123149 IKGPISKGWUGBHS-UHFFFAOYSA-N 429.908 2.458 0 40 IEAB O=C1N[C@]2(CCc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)NC[C@@H]1CCCNC1 72334410 JHTWEIXKVHWHKG-SSEPRJSISA-N 446.595 2.349 0 40 IEAB CN1CCN(c2nccc(CN3CCC[C@@H](c4cc(O)nc(-c5ccccn5)n4)C3)n2)CC1 72393257 NPZFTLFNVKJGME-GOSISDBHSA-N 446.559 2.166 0 40 IEAB CCOC(=O)c1cnc(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c(Cl)c1 84798479 CZLNUIFUAZLAQK-HNNXBMFYSA-N 436.940 2.071 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CCN(C(C)=O)C3)c2)cc1 84809376 LPQMVZGNFIZRGL-SFHVURJKSA-N 431.514 2.237 0 40 IEAB Cc1ccc(CC(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1 97943463 WOZYNBDWXYURBN-JOCHJYFZSA-N 445.523 2.385 0 40 IEAB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224893389 GWKGXWDCGFXXSD-UHFFFAOYSA-N 436.486 2.421 0 40 IEAB COCCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)ccn1 253471949 GSIJWRXYJQXLBT-UHFFFAOYSA-N 443.485 2.258 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4ccccc4)N4N=CC=C[C@@H]4[C@@H]3C2=O)cc1 253487977 UTYXMQOBMVGVFW-ANULTFPQSA-N 429.432 2.209 0 40 IEAB NC(=O)c1ccc2c(ccn2[C@@H]2CN(C(=O)CCCc3nc4ccccc4[nH]3)C[C@H]2O)c1 257205937 BBDIJCAICVYWGB-NHCUHLMSSA-N 431.496 2.384 0 40 IEAB CCc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@H](n2ccc3cc(C(N)=O)ccc32)C1 257306649 SVFMBGDTUANJMQ-NHCUHLMSSA-N 431.496 2.097 0 40 IEAB CCOC(=O)N1CCN(C(=O)Nc2ccc3nc(N4C(=O)CCC4=O)sc3c2)CC1 409124135 JHKHZIDONMFKMQ-UHFFFAOYSA-N 431.474 2.256 0 40 IEAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)c1 541805191 WHPWOFNCDYKSOU-UHFFFAOYSA-N 448.531 2.477 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCc3ccccc32)cc1 610257324 RRDPBPGBFIZSTD-SFHVURJKSA-N 430.526 2.378 0 40 IEAB Cc1cc(C)n(CC(=O)N2CCN(C)C(=O)[C@@H]2Cc2cccc(-c3ccccc3)c2)c(=O)n1 1848351820 QWIWJTGMZHGHQL-QHCPKHFHSA-N 444.535 2.439 0 40 IEAB O=C1COc2ccccc2CCCC[C@@]2(CCCN(S(=O)(=O)c3cn[nH]c3)C2)CN1 2037844368 UJBABHWXRGESMD-OAQYLSRUSA-N 432.546 2.102 0 40 IEAB Cc1ccc(CNC(=O)[C@H]2C[C@]3(CO2)CN(c2cc(C(F)(F)F)ncn2)CCO3)cc1 2056225816 CHXNRFRQGLWDKN-OXQOHEQNSA-N 436.434 2.485 0 40 IEAB CCOC(=O)N1CCN(P(=O)(c2ccccc2)N2CCN(C(=O)OCC)CC2)CC1 5328651 MHENKASFPGJKHN-UHFFFAOYSA-N 438.465 2.053 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)[C@@H]1COc2ccccc2O1 8735283 RIXIXXNNOBCNIL-RBBKRZOGSA-N 432.480 2.329 0 40 IEAB COc1ccc([C@@H]2CCCN2CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1 8988357 ILXROTVLHYNIJF-MTTLDHAHSA-N 444.532 2.373 0 40 IEAB O=C(Cn1cc(Br)ccc1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9125442 TXGWCLPSBKREOG-UHFFFAOYSA-N 440.319 2.034 0 40 IEAB C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCO1 9446923 IQZOTKDZUFDKAU-SNRMKQJTSA-N 431.533 2.148 0 40 IEAB CCOC(=O)C1=C(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)NC(=O)N[C@H]1C 9666116 BQGNNHYUWOLGIS-JTQLQIEISA-N 448.570 2.484 0 40 IEAB Cc1cccc(OCC(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)c1 9851780 RIHOEYKHGNKZLL-UHFFFAOYSA-N 443.511 2.306 0 40 IEAB O=C(NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Cl)c1 9910503 UPMSYKFLICJMKW-UHFFFAOYSA-N 439.946 2.488 0 40 IEAB Cn1c(SCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 9911359 KPVHHNQGNRLNKK-INIZCTEOSA-N 446.554 2.383 0 40 IEAB O=C1CC2(CCN(C(=O)CNC3=CC(=O)N(c4ccccc4)C3=O)CC2)Oc2ccccc21 9913643 USRQJISVBVOCEG-UHFFFAOYSA-N 445.475 2.060 0 40 IEAB Cc1cn2c3c(=O)n(CCCc4ccccc4)c(=O)n(C)c3nc2n1CCCn1ccnc1 10233360 QTTWNQHOBGWUGG-UHFFFAOYSA-N 445.527 2.377 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(C)cc3)CC2)cc1 11665791 XGQCGGZJFHHJDP-UHFFFAOYSA-N 429.484 2.490 0 40 IEAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1nc(-c2ccccn2)cs1 11811531 AOKZCDZZVFASQA-UHFFFAOYSA-N 426.502 2.005 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)cc2)c1 12877143 SQIHNWWFWGPDCL-OCCSQVGLSA-N 436.461 2.266 0 40 IEAB CC(C)CNC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 13074056 ZEONEJJQBLAVRS-SNVBAGLBSA-N 444.859 2.341 0 40 IEAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 13159236 RAOIAEQCRACENL-AWEZNQCLSA-N 434.470 2.072 0 40 IEAB CN(CC(=O)NCc1ccco1)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 14049886 AFYPNTJYWKCTLJ-UHFFFAOYSA-N 441.509 2.147 0 40 IEAB C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(C(N)=O)cc1 14245038 RNRWQPJHQHXYLM-CQSZACIVSA-N 440.452 2.480 0 40 IEAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 14248489 HYLGGLAEUWFARO-QFIPXVFZSA-N 439.537 2.484 0 40 IEAB CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1 15935817 YKMMCSYVHWJOLS-UHFFFAOYSA-N 443.635 2.260 0 40 IEAB CCOC(=O)Cc1nnc(NC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)s1 16682905 WPCMSBWBHHSCCD-SOFGYWHQSA-N 436.515 2.187 0 40 IEAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 18217556 JYZWHCREGODZPH-UHFFFAOYSA-N 443.569 2.233 0 40 IEAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 19587211 WHZWQEVKBRYICN-RLWLMLJZSA-N 448.567 2.466 0 40 IEAB Cc1cc(C)n(CCC(=O)N2CCO[C@H](c3c(C(N)=O)sc4ccccc34)C2)c(=O)n1 19697794 OCFKVEGPIAIYCS-INIZCTEOSA-N 440.525 2.164 0 40 IEAB O=C(NCc1ccccc1F)c1cncnc1CC1CCN(C(=O)CN2CCCC2)CC1 19752195 FDQVOWPYFHTFGK-UHFFFAOYSA-N 439.535 2.423 0 40 IEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)N[C@@H](Cc1ccccc1)C(C)=O)(C3)C2 21283372 ATXJQVXAQZGLQF-UEBJCOQESA-N 440.540 2.321 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(CC)CC2)cc1 22247777 DQMFGWCDTYJTQQ-JOCHJYFZSA-N 445.585 2.139 0 40 IEAB CCc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 22361815 LHMLGIDCKYRQKZ-OAHLLOKOSA-N 438.571 2.296 0 40 IEAB Nc1nc(CN2CCN(CC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)nc2ccccc12 22813663 DKCWPSNZZFEGFK-UHFFFAOYSA-N 434.588 2.415 0 40 IEAB COc1cc([C@](O)(CCN2CCOCC2)c2ccc3c(c2)OCO3)cc(OC)c1OC 31623920 XWBSCGPJAQTQQO-QHCPKHFHSA-N 431.485 2.399 0 40 IEAB CCc1cccc(N2C[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)c1 32755617 JQHQMIYKKSQOJW-IBGZPJMESA-N 441.553 2.135 0 40 IEAB Cc1ccc(-n2ncc3c(NCCO)nc(N4CCN(C(=O)c5ccco5)CC4)nc32)cc1 36656919 OFOSOJQYVFZZJW-UHFFFAOYSA-N 447.499 2.084 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)o1 40154146 GRSKDHBBGJVRQQ-UHFFFAOYSA-N 444.513 2.149 0 40 IEAB Cc1cccc(-c2noc(-c3cccn4c(=O)n(CC(=O)Nc5cc(C)on5)nc34)n2)c1 57494764 BMCKSETXFZCQDR-UHFFFAOYSA-N 431.412 2.457 0 40 IEAB Cc1cc2nn(CC(=O)N3CCc4ccccc43)c(=O)n2c(N2CCc3ccccc3C2)n1 57506002 XIXAWBWMZFCWCD-UHFFFAOYSA-N 440.507 2.351 0 40 IEAB COc1cccc(CN2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccc(OC)cc4C(=O)N3)C2)c1 72334372 KPZSPOLZFQWXKS-RDGATRHJSA-N 437.540 2.339 0 40 IEAB COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc1 72346228 MUZSBYVINQCYAM-HNNXBMFYSA-N 428.518 2.036 0 40 IEAB COc1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5ccccc5[C@H]4[C@H]3C2=O)cc1OC 79483198 SGNZOGHXIPCUNW-JZXOWHBKSA-N 438.461 2.182 0 40 IEAB Cc1cc(C)n(CCC(=O)NCCN2C(=O)S/C(=C/c3ccc4c(c3)OCO4)C2=O)n1 96939914 HCYVTZMYUWKNKL-WOJGMQOQSA-N 442.497 2.471 0 40 IEAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4C[C@@H]4CCOC4)nn3c(O)c2C1 100243237 WQGFREUIWHJINP-MGPUTAFESA-N 425.533 2.293 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1N1C(=O)CCC1=O 222600921 OOGXJBMIJHXRJZ-UHFFFAOYSA-N 445.497 2.288 0 40 IEAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223475931 AGWUMJPDIIABBM-IBGZPJMESA-N 449.548 2.188 0 40 IEAB COC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)ccc1C 223614405 XWDFLAQOEGXVJK-UHFFFAOYSA-N 447.469 2.327 0 40 IEAB Cc1c(C(=O)NCc2ccc(CN3CCOCC3)cc2)cccc1N(C)S(C)(=O)=O 224583396 MQXORCYNTVYNJW-UHFFFAOYSA-N 431.558 2.153 0 40 IEAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCCN(C[C@H]2CCOC2)C1 257240973 HWAOFJKEYSRTGL-FGZHOGPDSA-N 440.588 2.116 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)c1 260810650 IZIVVDDQQTUNHJ-VBKZILBWSA-N 434.514 2.417 0 40 IEAB CCCS(=O)(=O)N1C[C@H](c2cn(C(C)C)cn2)[C@]2(CCN(Cc3ccncc3)C2=O)C1 306134329 NJGXLSXJKULORJ-KNQAVFIVSA-N 445.589 2.417 0 40 IEAB CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CCN(CC)CC2)CC1 408556840 DULSYSYNCCRKJL-UHFFFAOYSA-N 443.997 2.304 0 40 IEAB CCOC(=O)COc1cc(Br)c(/C=C2/NC(=O)N(CC)C2=O)cc1OC 409168347 QQDOVZPBSXYHCT-WUXMJOGZSA-N 427.251 2.312 0 40 IEAB Cc1cnc(CNC(=O)C[C@@H]2OC[C@H]3CN(c4cc(C(F)(F)F)ncn4)CC[C@@H]23)nc1 585109660 YTACPJSZGKGOHV-KFWWJZLASA-N 436.438 2.142 0 40 IEAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2)CC1 2652256 QXQNTLDNWCXRQG-DHZHZOJOSA-N 441.553 2.070 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)NCc3ccc(OC)c(OC)c3)n2N)cc1 2656478 YYYHANXPKPPLFZ-UHFFFAOYSA-N 429.502 2.093 0 40 IEAB Cc1ccc(CNC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1 3319986 WFTTVUDVPXYTNW-UHFFFAOYSA-N 436.555 2.317 0 40 IEAB CC(=O)Oc1cc(C(=O)OCC(=O)N(C)c2ccccc2)cc(OC(C)=O)c1OC(C)=O 3323556 YZHVSWMTFXVXNY-UHFFFAOYSA-N 443.408 2.282 0 40 IEAB O=C1[C@@H]2CCCN2c2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1ccccc1F 8672159 ZBCUBHUXIXRRKX-FQEVSTJZSA-N 445.516 2.362 0 40 IEAB Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1CCc1ccc(F)cc1 8725463 BGSOFLDDYQGTKR-UHFFFAOYSA-N 437.475 2.117 0 40 IEAB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](CCC(=O)O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 8789169 ATACHTZILHULLQ-DOGKRZLPSA-N 433.464 2.093 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 9337765 AGEQNIMONDNZMJ-FQEVSTJZSA-N 447.557 2.176 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 9373130 RIOKGPARXLBLEE-RMKNXTFCSA-N 446.481 2.169 0 40 IEAB CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccco2)CC1 9662919 AKRCQAQMGTZPFD-UHFFFAOYSA-N 432.546 2.458 0 40 IEAB O=C(CSc1ncc(CO)n1CC(=O)NC1CC1)Nc1ccc(C(F)(F)F)cc1 9827487 PYODYHVMOHCKAW-UHFFFAOYSA-N 428.436 2.404 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C1 12140136 OKOOCYCWPRKYIG-ZDUSSCGKSA-N 427.482 2.243 0 40 IEAB COc1ccccc1CNC(=O)CSc1ncc(C(=O)Nc2ccccc2)c(=O)n1C 12236805 TZILDIOIXPISBJ-UHFFFAOYSA-N 438.509 2.450 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)Cc1ccccc1N1CCCC1)C2=O 12534057 UJHRNJMCBATDAL-UHFFFAOYSA-N 427.549 2.251 0 40 IEAB O=C(COc1ccc(F)c(Cl)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12782251 ICNXRVNBELXXKA-IBGZPJMESA-N 434.851 2.369 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 12976450 UMJWIVNQELUXCH-HOYKHHGWSA-N 437.496 2.409 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1ccccc1C(F)(F)F 12977976 DIKRISNSCVWPJN-UHFFFAOYSA-N 429.420 2.290 0 40 IEAB CC(CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)(c1ccccc1)c1ccccc1 13008672 QDCCPWDMYPTEDI-GHTZIAJQSA-N 440.565 2.144 0 40 IEAB Cc1ccccc1-n1nnn(CN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=S 13097594 ACQDFUUERGTENW-UHFFFAOYSA-N 448.549 2.210 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)ccc1C 13598380 VTSGHXJLGAHROX-UHFFFAOYSA-N 428.514 2.443 0 40 IEAB CN(C)C[C@@H]1CN(S(=O)(=O)c2ccccc2F)C[C@]12CCc1ccccc1C(=O)N2 19583353 RFFLODWUCSXERF-VGOFRKELSA-N 431.533 2.123 0 40 IEAB CNC(=O)c1ccc(-c2ccc([C@H]3CN(C(=O)CC4(O)CCCCC4)CCO3)nc2)cn1 19693831 TUIWEFKHIUAUFD-OAQYLSRUSA-N 438.528 2.488 0 40 IEAB O=C(c1cccnc1)N1CCC[C@@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699634 JIYALLSYDYCQJM-OAQYLSRUSA-N 447.539 2.273 0 40 IEAB COc1ccccc1CN1C(=O)CCc2c(C)nc([C@H]3CCCN3C(=O)CN(C)C)nc21 19741895 ZARBGBNNYAMGLU-LJQANCHMSA-N 437.544 2.498 0 40 IEAB CCCCn1c(N)c(N(CCOC)Cc2ccc(OC(F)(F)F)cc2)c(=O)[nH]c1=O 24907438 NQQWJRKBCQTNQN-UHFFFAOYSA-N 430.427 2.471 0 40 IEAB O=C(c1ccc2[nH]nnc2c1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 25151214 RGMREAJTBHYYRN-UHFFFAOYSA-N 435.875 2.120 0 40 IEAB O=C([C@H]1CN(Cc2nc(=O)c3oc4ccccc4c3[nH]2)c2ccccc2O1)N1CCOCC1 29142856 ZERPKMTYSMZNJE-LJQANCHMSA-N 446.463 2.296 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCC2=O)cc1 32769074 CTWVYSXOJODFPN-CQSZACIVSA-N 435.933 2.450 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(c1)OC1(CCN(C(C)=O)CC1)CC2=O)C(=O)O 36370038 RXXJRICUTDGYGS-SZNDQCEHSA-N 446.500 2.027 0 40 IEAB biogenic O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(c2cc(N3CCCC3)ncn2)CC1 36708275 WVVZDPXUTCQRLE-UHFFFAOYSA-N 427.574 2.467 0 40 IEAB COc1ccccc1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 44917309 ZNHQANLSGFMBMA-UHFFFAOYSA-N 449.504 2.086 0 40 IEAB O=C(Cn1cccc(S(=O)(=O)N2CCCC2)c1=O)Nc1ccc(Br)cc1 49408939 DWBNVFHVXBLZBX-UHFFFAOYSA-N 440.319 2.034 0 40 IEAB CC(=O)Nc1ccc(NC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)cc1 49547954 LVJBSEYGQFQGIN-UHFFFAOYSA-N 446.511 2.167 0 40 IEAB COc1ccccc1CCN1CC(=O)N(c2ccc(Cl)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 55408545 NRAVIPCMUUVSPL-RBUKOAKNSA-N 434.945 2.406 0 40 IEAB Cc1ccc(N2C[C@H](O)Cn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)cc1 96306492 SFJYRFLVRWBOCM-IBGZPJMESA-N 431.496 2.074 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)CCn4ncc5ccccc5c4=O)C3)cc2n1 100138017 UPMPUTDDUUYHAW-KRWDZBQOSA-N 432.484 2.250 0 40 IEAB O=C(O)[C@H]1[C@H]2O[C@@H](C(Br)=C2Br)[C@@H]1C(=O)Nc1ccc(O)cc1 100352169 WFONNECOASBXLL-GAJNKVMBSA-N 433.052 2.430 0 40 IEAB Cc1cccc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 408614609 FFBPHVZGIGKQIE-QZTJIDSGSA-N 439.512 2.171 0 40 IEAB Cc1cccc(NC(SCC(=O)N2CCCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 409377209 FQVYYHGXNRHVDE-UHFFFAOYSA-N 430.530 2.415 0 40 IEAB CCOC(=O)c1c(NC(=O)CN2CC[C@H](Nc3ccccc3)C2)sc(C(N)=O)c1C 532681646 GTAGNEVILKJUCB-HNNXBMFYSA-N 430.530 2.457 0 40 IEAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1C 575423242 OTRUKJOEMKGSIW-SFHVURJKSA-N 436.555 2.330 0 40 IEAB O=C(N[C@H](c1ccccc1)c1nn[nH]n1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 622611368 CLPMKHNFLYRKLF-LJQANCHMSA-N 445.460 2.096 0 40 IEAB CC(=O)N1CC(C(=O)N2CCCCC3(CO)CCN(CC3)Cc3ccccc3OCC2)C1 643578404 BIPHUVZYSYMWJA-UHFFFAOYSA-N 443.588 2.131 0 40 IEAB Cn1cc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)c4ccccc4)C[C@H]2CO3)cn1 1772594479 DTVZINHVPPYEAQ-FQEVSTJZSA-N 431.496 2.245 0 40 IEAB C[C@@H]1CN(C[C@@H]2C[C@@H]3CCN(S(=O)(=O)c4cc(F)cc(F)c4)C[C@@H]3O2)C[C@@H](C)O1 2056225581 RYXOBUSZYBZBTC-AAFQGDDYSA-N 430.517 2.242 0 40 IEAB CCOC(=O)[C@H](CC)Sc1nc(N)c(NC(=O)c2ccc(OC)c(OC)c2)c(=O)[nH]1 8584035 KKPDZSCCTNYEDQ-ZDUSSCGKSA-N 436.490 2.055 0 40 IEAB CC(=O)c1cccc(NC(=O)C2=CC(c3ccc4c(c3)OCO4)=NS(=O)(=O)N2C)c1 8587829 SPSULCCZUROUJW-UHFFFAOYSA-N 427.438 2.120 0 40 IEAB CCN(C(=O)CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 9253168 ZBBCRJJGAYEJKA-CNYBTUBUSA-N 440.518 2.288 0 40 IEAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 9315835 ABHWODWQFODGHJ-UHFFFAOYSA-N 431.489 2.099 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9413422 UDCKARXBTMJAHE-FUHWJXTLSA-N 438.480 2.499 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O 9582436 JTZONCBADXIKSO-QFIPXVFZSA-N 441.440 2.187 0 40 IEAB CCN(C(=O)CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1)[C@@H]1CCS(=O)(=O)C1 9662731 DSPCLZNVTIYWCQ-GFCCVEGCSA-N 444.966 2.261 0 40 IEAB CN1CCN(c2ccc(Cl)cc2NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 9672404 XKQJJIAESRSTGN-UHFFFAOYSA-N 433.940 2.285 0 40 IEAB CCOC(=O)c1ccc(NC(=O)COc2coc(CSc3nncn3C)cc2=O)cc1 10220372 RFPUMKGNLJRZAS-UHFFFAOYSA-N 444.469 2.255 0 40 IEAB CCn1c(=O)n(CC(=O)N2CCC[C@H](C)C2)c2c(C(N)=O)nc(-c3ccc(C)s3)nc21 12276807 IZKGTDRRSYKXNT-LBPRGKRZSA-N 442.545 2.007 0 40 IEAB Cc1cc(C)n(-c2ccc(N3CCN(C(=O)c4cc5ccccc5oc4=O)CC3)nn2)n1 13009134 FRKITNDDCDDFTR-UHFFFAOYSA-N 430.468 2.348 0 40 IEAB Cc1c(NC(=O)CSc2nnc(-c3ccncc3)n2C)c(=O)n(-c2ccccc2)n1C 13114353 NKDVFQKNFAGBIT-UHFFFAOYSA-N 435.513 2.406 0 40 IEAB COc1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1 13151094 WSBCTOUSZHSNLG-QGZVFWFLSA-N 446.529 2.199 0 40 IEAB Cn1c(CCNC(=O)[C@H]2CCCO2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 13690886 ZCLGBHMYDCENQL-LJQANCHMSA-N 428.514 2.212 0 40 IEAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2F)CC1 14694188 YCIWLGAUUHZCGR-UHFFFAOYSA-N 447.488 2.047 0 40 IEAB O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCC1 15958688 ACRIVRZALFKCEU-HSGJQSDISA-N 431.492 2.298 0 40 IEAB biogenic COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 17051383 RNELXKXRKUKRDX-QGZVFWFLSA-N 442.541 2.451 0 40 IEAB CNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCN(CC(=O)Nc2nccs2)C1 19696003 BFLICEPAOVWUJJ-NRFANRHFSA-N 425.514 2.417 0 40 IEAB Cc1noc(CCC(=O)N2CCC[C@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C2)n1 19763341 UKUPKFNOTYJXAC-KRWDZBQOSA-N 426.521 2.441 0 40 IEAB COc1ccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1OC 20047282 MMEACRPWQIJQIS-UHFFFAOYSA-N 442.921 2.448 0 40 IEAB COc1ccc(-c2noc(C(=O)NCCNC(=O)c3c(F)cccc3F)n2)cc1OC 21453438 PBSOXCYJMAOIQF-UHFFFAOYSA-N 432.383 2.192 0 40 IEAB CCOC(=O)CSc1nnc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)s1 22413994 HOELQMMWGHJIKS-UHFFFAOYSA-N 442.906 2.211 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c(Br)c1 29970540 BHQGYVMEKCETFT-UHFFFAOYSA-N 444.395 2.076 0 40 IEAB CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)c1cccc(F)c1 40047573 UJGGMFBMYXGHNZ-FPOVZHCZSA-N 449.548 2.316 0 40 IEAB COc1cccc(-c2c3c(=O)n(CCCN4CCN(C)CC4)ccc3nc3nc(C)nn23)c1 40398522 SMLBQDRRGSIAAY-UHFFFAOYSA-N 447.543 2.061 0 40 IEAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 45411197 WYPWHXMDDTZNRF-UHFFFAOYSA-N 425.495 2.499 0 40 IEAB O=C(NCCCN1CCOCC1)c1cc(-c2cnc(N3CCCC3)nc2)cn1CC1CC1 96037692 OLHYHKVOHMUULK-UHFFFAOYSA-N 438.576 2.407 0 40 IEAB O=C(NC[C@@H](O)c1ccccc1)C(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccccc21 101457778 AIPIRRGZHHQOHJ-YADHBBJMSA-N 429.476 2.241 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(F)cc2)c(Cl)c1 222836555 JRRGOTUAQGYGRF-UHFFFAOYSA-N 430.885 2.446 0 40 IEAB Cc1nccn1-c1ccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 223400247 PQKKRLLDTINCRD-UHFFFAOYSA-N 434.547 2.495 0 40 IEAB COc1ccc(CCN2C[C@H](C(=O)NC[C@H]3CCCN4CCCC[C@H]34)CC2=O)cc1OC 225410822 BILVACWSJNEWCP-NJDAHSKKSA-N 443.588 2.476 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)NCCSc3ncn[nH]3)cc2)cc1 225982505 MGHUFCBYVNMHPG-UHFFFAOYSA-N 445.570 2.389 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@](O)(c2ccoc2)c2cccs2)cc1 240068156 SKRMLCGXEBWJLS-HXUWFJFHSA-N 446.506 2.209 0 40 IEAB CNC(=O)[C@H]1CN(CCc2ccccc2)CCN1C(=O)c1cccc(Nc2ncccn2)c1 257231723 GHYGBXCMFWQXOE-JOCHJYFZSA-N 444.539 2.335 0 40 IEAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cccc(OCCCN)c3)C2)c2cnccc2n1 257310542 UFMWWZFJCCHKII-RUZDIDTESA-N 449.555 2.427 0 40 IEAB CS(=O)(=O)N1CCC(Cc2cnc(N3C(=O)OC[C@H]3Cc3ccccc3)cn2)CC1 257310671 UGBMOFCGQTYQLC-LJQANCHMSA-N 430.530 2.259 0 40 IEAB Cn1cc(-c2ccncc2)c(-c2ccc(CNC(=O)CCCN3C(=O)CNC3=O)cc2)n1 257330496 XORFZUHAJQZMJW-UHFFFAOYSA-N 432.484 2.097 0 40 IEAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 408653688 FKLFOBRAOBBFRA-NHUSPQTBSA-N 438.480 2.203 0 40 IEAB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(OC)c(Br)c2)C1=O 409202302 QZFZOPOLSPTRAU-JYRVWZFOSA-N 429.292 2.257 0 40 IEAB CC(C)n1nc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C)c2ccccc2c1=O 577902560 NUBLAGVMANLNSR-KGLIPLIRSA-N 432.550 2.031 0 40 IEAB CS(=O)(=O)c1ccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2cc(C(F)(F)F)ncn2)cc1 585109070 RZXKXYAJJGDLDB-GJZGRUSLSA-N 440.447 2.279 0 40 IEAB CCOc1cccc2c1OCCOCCN(C(=O)Cn1ccnc1)C[C@@H]1CCCN1C2 643567615 LVGYNUQWCWVCNS-FQEVSTJZSA-N 428.533 2.184 0 40 IEAB Cc1ccsc1S(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)C1 2055738839 USPYKRVBGJRLOP-JKIFEVAISA-N 436.511 2.202 0 40 IEAB O=C(NCc1ccon1)[C@H]1C[C@@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226495 SHTCMMFYXIKYAB-MJGOQNOKSA-N 425.407 2.370 0 40 IEAB CC(C)C[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)NCCCOC(C)C 2128753 KPDHGBNDPTXVDC-AABGKKOBSA-N 446.592 2.323 0 40 IEAB biogenic CCOC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCCOC)cc1 3052140 MKCRZWNPTRQNFB-UHFFFAOYSA-N 441.509 2.417 0 40 IEAB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1ccccc1OC 6026337 RDPHGLPSHUJTQF-UHFFFAOYSA-N 427.501 2.398 0 40 IEAB O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 8601542 MCXUCMRIJGISDR-FQEVSTJZSA-N 426.494 2.270 0 40 IEAB COC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 9308511 BKILLGGCHKOXDV-QHCPKHFHSA-N 434.427 2.426 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)OCCCn1c(=O)[nH]c2ccccc21 9461925 JHYBVVSAPDWMCB-KRWDZBQOSA-N 437.543 2.328 0 40 IEAB COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)cc1OC 9857401 XHKGDHRYCZZVFU-UHFFFAOYSA-N 434.456 2.001 0 40 IEAB Cn1c(=O)c2c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)ccnc2n(C)c1=O 10217041 BKYZTQBNKVENAK-UHFFFAOYSA-N 440.403 2.262 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)CS(=O)(=O)c3ccc(F)cc3)cc2n1 12161123 DBGOPNPMMHDDTQ-KRWDZBQOSA-N 432.477 2.410 0 40 IEAB Cc1ccccc1COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(CO)cc1=O 12231284 JAGDIEKSBONILP-UHFFFAOYSA-N 436.464 2.273 0 40 IEAB C[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CCO1 12760235 DOUFLOUPDXMCBD-NEPJUHHUSA-N 437.381 2.159 0 40 IEAB COc1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)cc1S(=O)(=O)N(C)C 12782583 GZNNPMYDBLMOQW-UHFFFAOYSA-N 446.485 2.468 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 13119429 UCPZXCUMANALPP-LLVKDONJSA-N 426.878 2.061 0 40 IEAB CC(C)CNC(=O)CN1CCN(CC(=O)NCC(c2ccccc2)c2ccccc2)CC1 22931105 CRSIDRODMRRISR-UHFFFAOYSA-N 436.600 2.325 0 40 IEAB O=C(COc1ccccc1F)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134327 VEORSOBUDFFCCP-UHFFFAOYSA-N 430.871 2.178 0 40 IEAB CCc1ccc(N2C(=O)CN(CCOc3ccc(OC)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773697 STKNQOPYSSHDKB-FCHUYYIVSA-N 444.553 2.151 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 32814819 NAZQBZALMHKPGN-TZIWHRDSSA-N 449.573 2.053 0 40 IEAB CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)c3cccc(NS(C)(=O)=O)c3)ccc21 32916603 BTLDBIGMFCWBRL-ZDUSSCGKSA-N 437.543 2.007 0 40 IEAB O=C(c1ccsc1)N1CCN(CCNC(=O)C2(c3ccccc3)CCOCC2)CC1 44453516 LAJOZRCSJVCIEJ-UHFFFAOYSA-N 427.570 2.371 0 40 IEAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 48355759 PASQBSXLCMZKMV-HRAATJIYSA-N 442.539 2.402 0 40 IEAB COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(C(N)=O)CC2)C12CCCCC2 49543736 DBHWFODTNHDYEM-FQEVSTJZSA-N 427.545 2.299 0 40 IEAB biogenic CN(CCc1ccccn1)C(=O)CCNS(=O)(=O)c1cccc(Br)c1 98077216 TYOHEHGKUIYARU-UHFFFAOYSA-N 426.336 2.214 0 40 IEAB O=C1[C@@H]2[C@@H](C(=O)N1CN(CN1C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)C1CCCCC1)[C@H]1C=C[C@H]2C1 100568433 QOIRFBJZTQNRBZ-CDWIIQAZSA-N 449.551 2.150 0 40 IEAB Cc1nnc(NC(=O)[C@H](C)SC(=S)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)s1 113481187 SOPQWSXVFMMTDW-DRZSPHRISA-N 435.600 2.473 0 40 IEAB Cc1cccc(-c2noc(CNC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)n2)c1 219400265 HJIBWGNTWVJTHC-SFHVURJKSA-N 442.497 2.197 0 40 IEAB CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(F)cc1)c1ccc2c(c1)OCO2 224117129 VZEINRLARAXIAB-UHFFFAOYSA-N 438.477 2.296 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1C(=O)N1CCCC1 225253323 ZXSIKIIGVIGTCD-HNNXBMFYSA-N 432.498 2.050 0 40 IEAB CN1CCN(Cc2ccnc(N3CCOCC3)n2)C[C@H](Cc2cccc3ncccc23)C1 257234724 GUVZOFHXVQGHHK-HXUWFJFHSA-N 432.572 2.468 0 40 IEAB CN(C(=O)c1cnn(C)c1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257279998 OJBMNKVSTCSKCV-GTTYTOFKSA-N 427.545 2.490 0 40 IEAB CS(=O)(=O)N1CC[C@H](C(=O)NCC2(c3ccccc3)CCOCC2)Oc2ccccc21 260795845 LYWRDLHZEHWHEN-OAQYLSRUSA-N 444.553 2.468 0 40 IEAB COC(=O)c1ccccc1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 390831895 VTCZVHXHSFWPKO-UHFFFAOYSA-N 429.498 2.279 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)no1 408667807 SZMICTJZORFXNM-CSMYWGQOSA-N 425.441 2.704 0 40 IEAB COCc1nc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)n[nH]1 604405053 PCOHOJGLFDSLQR-FQEVSTJZSA-N 446.467 2.485 0 40 IEAB biogenic CCOC(=O)N1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 656287 GVAPWQBHLXPVMA-UHFFFAOYSA-N 449.504 2.322 0 40 IEAB CCOC(=O)[C@@](Cl)(NC(=O)N[C@](Cl)(C(=O)OCC)C(F)(F)F)C(F)(F)F 1856236 HJBOFZUWVGXUEQ-RKDXNWHRSA-N 437.120 2.407 0 40 IEAB O=c1n(C[C@@H](O)CN2CCCCCC2)c2ccccc2n1C[C@H](O)CN1CCCCCC1 8926104 BSUSMYWZSLCNQN-SZPZYZBQSA-N 444.620 2.277 0 40 IEAB O=C(OCc1nnc(-c2cccs2)o1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9254175 LHKFRZRNCUIZPN-UHFFFAOYSA-N 435.483 2.176 0 40 IEAB CCOc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 9408079 SXPZONFIYLVVHL-UHFFFAOYSA-N 445.497 2.416 0 40 IEAB O=C(Cc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 9503293 JWQULIHWDYMFFR-UHFFFAOYSA-N 441.509 2.015 0 40 IEAB COc1ccccc1-n1nnnc1SCC(=O)N(C)C[C@@H]1COc2ccccc2O1 9591918 DYSCCKFGCHAOCS-CQSZACIVSA-N 427.486 2.061 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)C1CCN(C(=O)/C=C/c3ccccc3)CC1)C2=O 9596324 YLNSXXMGSZMBIA-BQYQJAHWSA-N 438.528 2.470 0 40 IEAB COc1cccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2C)c1 9699341 QPACHMMPULAXAQ-UHFFFAOYSA-N 437.525 2.435 0 40 IEAB Cc1ccccc1CN1N=C(c2ccc(F)cc2)Cn2c1nc1c2c(=O)n(C)c(=O)n1C 9707546 PZCIBHRHXGDPFJ-UHFFFAOYSA-N 432.459 2.306 0 40 IEAB CCOc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c1OCC(=O)O 12406818 VBSYJZFDQYPMLD-GDNBJRDFSA-N 434.470 2.207 0 40 IEAB CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnc(C)cn1 12521970 UTWVKUAUDQDWDX-UHFFFAOYSA-N 433.534 2.270 0 40 IEAB CCCCN(C(=O)Cc1ccc2c(c1)OCCO2)c1c(N)n(CCCC)c(=O)[nH]c1=O 12892762 WGXHNKBHMJYSND-UHFFFAOYSA-N 430.505 2.066 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N[C@H]1CCCc2ccccc21 13039458 BDNPDJDJVSAOKC-NRFANRHFSA-N 431.533 2.326 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCCc2c[nH]c3ccccc23)C1=O 13163457 KHOIJJCLBKJPED-QHCPKHFHSA-N 434.452 2.023 0 40 IEAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 13164014 CKTMXZVJEFOKAM-UHFFFAOYSA-N 432.527 2.266 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 14641891 OCTZOEUFXXNEOS-ROUUACIJSA-N 432.542 2.343 0 40 IEAB C[C@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)C1=O 14711228 DPTACMWNURKYNK-OXQOHEQNSA-N 427.476 2.129 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 15343484 NLRCWUCJYYCUIO-UHFFFAOYSA-N 447.557 2.353 0 40 IEAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 18113958 IEBSMUZSAXQSCW-UHFFFAOYSA-N 439.453 2.214 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)cc1 19448429 XBNRFFQUUJGMLB-LJQANCHMSA-N 432.546 2.071 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3c[nH]c4ccc(OC)cc34)CC2)cc1 19557074 GHCKRHWFRJNWJO-JOCHJYFZSA-N 445.541 2.225 0 40 IEAB COc1cccc(C(=O)N2CCC[C@H](N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)C2)c1 19699767 MKRHQJMWBCGRCT-IBGZPJMESA-N 442.560 2.342 0 40 IEAB COc1ccc2c(CN3CCc4nc(N)c(C(=O)N5CCOCC5)cc4C3)cn(C)c2c1 19701133 IWGNVSOUDZVUTM-UHFFFAOYSA-N 435.528 2.195 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 19702359 LURAKPNHRKAWGL-CQSZACIVSA-N 440.525 2.001 0 40 IEAB Cn1nc(C2CC2)cc1C(=O)N1CC[C@@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19703102 XQCMOIMONVYXRB-CQSZACIVSA-N 439.541 2.259 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)CCN1CCC[C@H](C)C1)CC2 19711395 URTQXYIAOGLCNC-KRWDZBQOSA-N 442.608 2.251 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)C2 19739771 UOXGGFRBTFWWRG-LJQANCHMSA-N 439.491 2.203 0 40 IEAB O=C(CNCCN1CCOCC1)Nc1nc(-c2ccc(Br)cc2)cs1 20479107 DQVXYOLRVWAUDF-UHFFFAOYSA-N 425.352 2.433 0 40 IEAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1 20768569 AKZIFUUIAFZFCL-UHFFFAOYSA-N 433.349 2.178 0 40 IEAB O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CCN1 24758065 ZAAUZCCMVBPUPT-UHFFFAOYSA-N 427.404 2.078 0 40 IEAB O=C(NCc1ccc(Br)s1)c1cccc(S(=O)(=O)N2CCOCC2)c1 25472247 MLQPRFFWSIGHRM-UHFFFAOYSA-N 445.360 2.462 0 40 IEAB COc1cc(OC)c(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1Cl 32073813 ZYYCWKWXHSBUCL-ZDUSSCGKSA-N 431.876 2.465 0 40 IEAB O=C(NCc1cc(-c2ccccc2F)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 35589925 JUWVRMWQDHLIPB-UHFFFAOYSA-N 445.472 2.432 0 40 IEAB CCOC(=O)C(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 36666245 PUAJJEAZXYVAIP-LJQANCHMSA-N 443.475 2.097 0 40 IEAB CCn1c(=O)c2ccccc2n(Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)c1=O 38652659 SIMQBWCQRXMMMZ-UHFFFAOYSA-N 438.440 2.307 0 40 IEAB O=C(CCC(=O)N1CCOCC1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 48280054 QFEQUFPWAVFRQY-KRWDZBQOSA-N 441.450 2.124 0 40 IEAB COc1ccc(CNC(=O)Cn2nc(S(=O)(=O)c3ccc(Cl)cc3)ccc2=O)cc1 49421673 GRGIBDMGCZKFPQ-UHFFFAOYSA-N 447.900 2.055 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2CCCN(c3ccc(-n4cccn4)nn3)C2)cc1OC 62022711 IRZOMYLHIWDTHH-SFHVURJKSA-N 436.516 2.255 0 40 IEAB Cc1nc(COc2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCCCC3)c2)cs1 69978796 LXBAHHVOOWUSMN-UXHICEINSA-N 449.598 2.412 0 40 IEAB O[C@H]1CC[C@@H](Cc2cc(CN3CCOCC3)on2)O[C@@H]1CNCc1ccccc1Cl 96269004 AVHNWMOYAPRQGQ-YUXAGFNASA-N 435.952 2.401 0 40 IEAB biogenic,in-vitro CC(C)CN1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1 100430836 AHMYIHLZXLGTIQ-QNFRPBLGSA-N 443.588 2.301 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)no1 102639041 OFSHTTMKBRZGPG-BRWVUGGUSA-N 425.441 2.034 0 40 IEAB C[C@@H]1CN(c2ccc(NC(=O)N3CCC([C@]4(C)NC(=O)NC4=O)CC3)cc2F)C[C@@H](C)O1 106921285 VZDQJNAYQQPXAY-SOHPYSCWSA-N 447.511 2.281 0 40 IEAB CCc1ccccc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC)S(C)(=O)=O 222888185 SIOBSUSTFBOSKQ-SFHVURJKSA-N 445.585 2.221 0 40 IEAB COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c(OC)c1OC 224008785 RTPCCIYYJQTIAC-UHFFFAOYSA-N 444.535 2.027 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1N(C)S(=O)(=O)c1ccc(OC)c(OC)c1 224817317 MVAOBUSDVAHQOF-UHFFFAOYSA-N 425.459 2.333 0 40 IEAB COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1CN(C(C)C)CC2=O 253401918 NSETVPQDIKIKTH-YGICRIAWSA-N 443.588 2.463 0 40 IEAB CC(C)[C@H](C(=O)OCC(=O)N[C@@H](C)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408668775 VMCLJVBGLQDUGZ-ULJRTVLZSA-N 426.513 2.463 0 40 IEAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 409216907 MFUYSCXPHIIEAB-WOJGMQOQSA-N 441.415 2.299 0 40 IEAB COc1cc(OC)c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)c(OC)c1 409239165 CGTVPIJJAOXIQG-LFIBNONCSA-N 441.440 2.252 0 40 IEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 575423541 GGRKLSFBURAZJG-KRWDZBQOSA-N 436.511 2.160 0 40 IEAB CCN(CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1ccccc1C 1543013107 CYJDVLHRBLMJRD-UGKGYDQZSA-N 427.520 2.281 0 40 IEAB C[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)c1ccc(Cl)cc1 3231857 JYTFSHPQQWEQFE-JTQLQIEISA-N 439.902 2.438 0 40 IEAB C[C@@H](OC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)N1c2ccccc2NC(=O)C1(C)C 7834343 XVQUTHSORRQUSK-CABCVRRESA-N 427.501 2.473 0 40 IEAB CCN(C(=O)COc1ccccc1C(=O)NCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9056617 ZKQYBFKPRSMBDS-GOSISDBHSA-N 430.526 2.031 0 40 IEAB Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1Sc1c(NC2CC2)c2ccccc2[nH]c1=O 9366332 ICGDVAHAKFMFGD-GFCCVEGCSA-N 445.570 2.359 0 40 IEAB Cn1c(=O)n(CCCO)c(=O)c2c1nc1n(-c3ccc(F)cc3)c(-c3ccccc3)cn21 9713356 HQNFSSWCSYBZPO-UHFFFAOYSA-N 433.443 2.327 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 9713843 QPXSHSVKYFISQG-UHFFFAOYSA-N 443.525 2.160 0 40 IEAB CC(=O)Nc1cccc(S(=O)(=O)N2CCC3(CC2)CNC(=O)c2cc(C)ccc2O3)c1 12233655 KFQYYRKQTPMKKB-UHFFFAOYSA-N 443.525 2.299 0 40 IEAB Cc1cc(NC(=O)CCC(=O)N(CCc2ccccc2)CC(=O)NC[C@@H]2CCCO2)no1 13505888 ZNSSZLMOGMVNOW-IBGZPJMESA-N 442.516 2.068 0 40 IEAB CCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(C(=O)N(C)C)cc3)C2=O)cc1 14197456 DHMVSWGOEICGIN-HSZRJFAPSA-N 438.484 2.193 0 40 IEAB O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)N[C@@H]1CCS(=O)(=O)C1 16525642 MFEDLRQNRDEUBX-GFCCVEGCSA-N 436.536 2.312 0 40 IEAB Cc1cccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CN(C(=O)c4n[nH]c(O)n4)CCO3)cc2)c1 19235368 FKMVFXJARZHIPH-DEOSSOPVSA-N 449.511 2.028 0 40 IEAB C[C@@H](NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1 19357535 YKAVPVZCAOEBRJ-RMOVAFEQSA-N 444.528 2.178 0 40 IEAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@H]1CCCN(Cc2ncc[nH]2)C1 19699647 HHCYRDDPUWHSRI-FQEVSTJZSA-N 436.560 2.003 0 40 IEAB CC(C)CC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699670 OLISDILBUQAHJA-LJQANCHMSA-N 440.544 2.250 0 40 IEAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(S(=O)(=O)c2c(C)noc2C)CCO1 19703303 VSYJLLUXULPKFH-ZDUSSCGKSA-N 436.515 2.023 0 40 IEAB COc1ccc([C@H]2N=C3NCN(n4c(C)nnc4C)CN3c3nc4ccccc4n32)cc1 20556206 IDEYUWOMEVGKNX-FQEVSTJZSA-N 429.488 2.133 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(F)cc1 20674746 YLXNIKMINVGLMS-VQTJNVASSA-N 442.466 2.493 0 40 IEAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc[nH]c3=O)ccc2OC)cc1 21870476 IVIOWCVEQOYLOT-UHFFFAOYSA-N 429.454 2.445 0 40 IEAB CCOc1ccc(-n2ccn(CC(=O)Nc3ccc(OC)c(OC)c3)c(=O)c2=O)cc1 22726361 AAQNWVITWNESIV-UHFFFAOYSA-N 425.441 2.054 0 40 IEAB COc1ccc(OC)c(CN2CCN([C@H](C)C(=O)Nc3sccc3C(N)=O)CC2)c1 22932454 MEIIEJGUHYZAEO-CQSZACIVSA-N 432.546 2.009 0 40 IEAB Cc1nc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)NC(=O)NCc3ccccc3)sc2n1 29214746 UMRBZKPDAQEQOY-LLVKDONJSA-N 427.486 2.462 0 40 IEAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1 30595757 HKEVKTCDVNPHLB-CYBMUJFWSA-N 437.743 2.114 0 40 IEAB CSc1nnc(C)n1NC(=S)NC(=O)c1ccc(I)cc1 34719707 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2.091 0 40 IEAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)n2)C1 105768320 GJSGLOAEQWBOOE-NRNRTASOSA-N 428.558 2.367 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1OC 223341787 LFAJGFBQNPRYFN-UHFFFAOYSA-N 426.878 2.323 0 40 IEAB CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(NC(C)=O)cc1 224898483 UGAYGLBZUCNLON-UHFFFAOYSA-N 434.470 2.175 0 40 IEAB CCN1CC(=O)N2CC[C@@H](CC(=O)NCCOC)[C@@H](C=CCOc3ccccc3C1)C2 958317705 GHJRBHIQDURWOO-PMACEKPBSA-N 429.561 2.075 0 40 IEAB CN1CCNC(=O)c2ccc(Br)cc2OCC=CCC2(CCNCC2)C1=O 1535644959 FMQUPLKVGYXJHU-UHFFFAOYSA-N 436.350 2.346 0 40 IEAB Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1 1256263 MDANALCZFVFOLW-UHFFFAOYSA-N 432.571 2.203 0 40 IEAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1 1365417 IQACSBRVZTZJSZ-KRWDZBQOSA-N 440.529 2.319 0 40 IEAB COc1ccc(Cn2cccc(C(=O)NS(=O)(=O)c3ccc(OC)cc3)c2=O)cc1 1397082 JAFXGOILEPCKHS-UHFFFAOYSA-N 428.466 2.033 0 40 IEAB COc1ccc(NC(=O)CS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 1792392 XRASFOCZUIEJJD-UHFFFAOYSA-N 430.482 2.125 0 40 IEAB CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(O)cc1 2701442 UOWINGWUTJYXBF-QGZVFWFLSA-N 433.464 2.321 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)C2=O)cc1 3324235 JOOAEOYROZAWKQ-NRFANRHFSA-N 426.498 2.050 0 40 IEAB CN(C(=O)COc1ccc(Br)cc1Br)[C@@H]1CCS(=O)(=O)C1 4291158 RBTCEKSAYXQXFK-SNVBAGLBSA-N 441.141 2.236 0 40 IEAB COc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)c1 8992298 JNLCGODQODQSLE-GOSISDBHSA-N 445.541 2.371 0 40 IEAB CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccc(C)cc3)n2C)s1 9263967 PLPLWAJBFIFOAQ-UHFFFAOYSA-N 431.547 2.449 0 40 IEAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 9633384 RZIXMXUVTBIQHD-INIZCTEOSA-N 428.539 2.330 0 40 IEAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9731283 NXOVYLPMRVZIJA-UHFFFAOYSA-N 432.452 2.297 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCc2cc3c(cc2Br)OCCO3)c1 11293811 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O=C(CN1CCc2ccccc2C1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 16443140 BSCDECNRCDFMJS-UHFFFAOYSA-N 449.960 2.358 0 40 IEAB CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(C(=O)[C@H](C)Cn3nc(C)nc3C)C2)C1 19285862 NWQFMHQRGZGYAG-WAIKUNEKSA-N 425.533 2.333 0 40 IEAB CCN(CC)CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2cccc(OC)c2)C1 19692639 CFBUKYSNKQYYBX-FQEVSTJZSA-N 427.549 2.460 0 40 IEAB CC(C)N1CCC(C(=O)N2CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)CC1 19693468 XROIFXSHPPJMCV-HXUWFJFHSA-N 437.544 2.263 0 40 IEAB Cc1nc([C@@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2CCc1ccccc1 19740419 XKCHXEKWLDHQLT-IBGZPJMESA-N 443.573 2.250 0 40 IEAB Cn1cc(C(=O)N2CC[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)ccc1=O 19762602 DSYDJRYQVQLAKF-KRWDZBQOSA-N 446.507 2.036 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)cc(OC)c1 20762025 OQFYXPCQAZEJIS-PKOBYXMFSA-N 448.545 2.379 0 40 IEAB biogenic O=S(=O)(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 20823566 CCEUNRDFVCSOHM-MDWZMJQESA-N 428.482 2.272 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 21901062 NAGIMPIZDRZLJR-HXUWFJFHSA-N 446.573 2.352 0 40 IEAB Cc1cc2c(c(Br)c1C)OC[C@@](CN1CCOCC1)(N1CCOCC1)C2=O 22890530 SLJCIHGUWDWGTG-HXUWFJFHSA-N 439.350 2.044 0 40 IEAB O=C(CCn1cnc2ccccc21)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 32768700 NHVUZEBEPJJUQH-UHFFFAOYSA-N 434.468 2.238 0 40 IEAB CCN(C(=O)CCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)[C@H]1CCS(=O)(=O)C1 33538792 SCAYPHNGUKOZKH-KFXIKWRMSA-N 440.518 2.288 0 40 IEAB COc1ccc(Cl)cc1NC(=O)C(=O)NCCN1CCN(c2ccccc2F)CC1 56998015 JDSHWNOHPNCZAA-UHFFFAOYSA-N 434.899 2.365 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3ccccc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 63386163 YMTMEEOVMZDXJK-OALUTQOASA-N 434.945 2.406 0 40 IEAB COc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)c3cnccn3)cc2)cc1 67896354 DQMMNRFIDLKQBO-FYYLOGMGSA-N 448.479 2.199 0 40 IEAB biogenic,in-vitro O=C(Cc1ccccn1)N1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 72352704 UWIAJHLVTCCJRD-QHCPKHFHSA-N 446.507 2.245 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222458075 FEFYBOYBHKJYPQ-SFHVURJKSA-N 431.558 2.233 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)ccc21 225090894 QQLGJKRFUJSKAM-UHFFFAOYSA-N 434.543 2.334 0 40 IEAB Cc1ccccc1-n1c(CC2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)n[nH]c1=O 225548835 CHBXXRRXSYMGRL-UHFFFAOYSA-N 447.495 2.258 0 40 IEAB C[C@@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCC1)N(C1CC1)C(=O)[C@@H]3[C@H]2C(=O)NC1CCCCC1 245230086 LIOIFRWOLUNKAC-NXBKFZNKSA-N 441.572 2.197 0 40 IEAB CCOc1ccc(CN2CC[C@H](c3nc4c(c(NC)n3)CCN(C(C)=O)C4)C2)cc1CO 257344981 ZZLFUAIFISVXJW-SFHVURJKSA-N 439.560 2.303 0 40 IEAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c1 408597582 VGNGNQBNIPLXST-MRXNPFEDSA-N 432.498 2.316 0 40 IEAB CN(c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1)S(C)(=O)=O 408623723 YTMLHIJUXYPAQJ-KRWDZBQOSA-N 431.514 2.244 0 40 IEAB COc1cc(Cl)ccc1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 619520085 IKMJTVAPQPASJD-UHFFFAOYSA-N 444.962 2.434 0 40 IEAB CC[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 678549 IBBXUMWEWWIKAS-YPMHNXCESA-N 438.937 2.407 0 40 IEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3C(=O)c4cccc(N)c4C3=O)c2)C1 3283237 LBKAPIHOKOHZFG-ZIAGYGMSSA-N 441.509 2.372 0 40 IEAB CCCCn1nnnc1COC(=O)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(C)C 8883950 IMQGOENDRFDSHL-INIZCTEOSA-N 429.930 2.173 0 40 IEAB COC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)c2ccc(Cl)cc2)c1=O)CCC3 9410719 BIOBGODVIUGQCK-UHFFFAOYSA-N 432.885 2.423 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nncn1-c1ccccc1 9508256 VMBXYBINHSYGAR-UHFFFAOYSA-N 447.542 2.257 0 40 IEAB COC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]32)cc1 9675314 NDWPKLAUBYQPOC-RTBURBONSA-N 435.440 2.022 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)cc1 9827598 FVZJXVRMMMAAGN-UHFFFAOYSA-N 445.545 2.123 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)NCC2(N3CCCCC3)CCCCC2)c1=O 9914483 OCCBMCWXJDOGNV-UHFFFAOYSA-N 426.561 2.488 0 40 IEAB CC(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 13084962 HWZUROAWHWOHKR-QFIPXVFZSA-N 443.569 2.012 0 40 IEAB CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 13567075 ZHEKXWSBIBQNCI-UHFFFAOYSA-N 434.514 2.432 0 40 IEAB CCc1nnc2ccc(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)nn12 13848110 UAHLDWKWLLTSQE-UHFFFAOYSA-N 440.451 2.216 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 14264467 HTXNOKMQJWTWRH-UHFFFAOYSA-N 428.489 2.120 0 40 IEAB Cc1cc(Cl)c2c(c1)[C@@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 16034024 AGIHIDZNRIRCTO-ZBBYWACHSA-N 445.947 2.472 0 40 IEAB COc1ccc(NC(=O)Nc2nc(CCC(=O)N3CCC(C(N)=O)CC3)cs2)cc1 16849080 YJXASKZMQCYBAL-UHFFFAOYSA-N 431.518 2.452 0 40 IEAB O=C(c1cccs1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cc[nH]n3)[nH]c(=O)c2C1 19342727 OLNBQTXCHGMGOD-INIZCTEOSA-N 438.513 2.120 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCC[C@@H](C)[C@@H]3C)CC1)CNC2=O 19496672 YVAYBFDRDOIBNJ-KCYKTTMJSA-N 443.544 2.216 0 40 IEAB COc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 20104859 YVILHLKRXKIQBM-HNNXBMFYSA-N 434.514 2.216 0 40 IEAB CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCN4CCOCC4)c12)OC(C)(C)CC3 20757189 PYWOQXCBTDFULZ-UHFFFAOYSA-N 444.528 2.286 0 40 IEAB biogenic CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(C)c2)CC1 22247272 AOYJOPPTZVADTB-OAQYLSRUSA-N 445.585 2.057 0 40 IEAB COc1ccc(CN2CCN(C(=O)CSc3nc4nc(C)cc(C)n4n3)CC2)cc1F 23881424 BUQVAHZZDLVHIF-UHFFFAOYSA-N 444.536 2.325 0 40 IEAB COC(=O)[C@H](c1ccccc1Cl)N1CCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)CC1 24887707 IFLUBXLIHUXQRZ-YOEHRIQHSA-N 438.956 2.185 0 40 IEAB O=C(NC1CCCC1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCC2)N(C2CCCC2)C(=O)[C@H]13 35313227 AJUGEODEELKVEN-LMHDGWJKSA-N 441.572 2.197 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 36037047 VFGRWTKXCIVEPU-SUMWQHHRSA-N 426.336 2.266 0 40 IEAB Cc1noc(C)c1CN1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3cc(F)ccc23)CC1 36366989 UUWWKEAFBPPMHJ-OAQYLSRUSA-N 444.463 2.413 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cccc(OC)c1OC 36589911 SBXSDULAFLHQOV-CRAIPNDOSA-N 448.545 2.379 0 40 IEAB biogenic CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(CC(=O)N3CCOCC3)c12 39556334 ASTYDBPZPKHHSR-PDGQHHTCSA-N 426.542 2.092 0 40 IEAB CCOC(=O)c1c(CC)n[nH]c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 48991684 XDCOXKDAEFIHHX-UHFFFAOYSA-N 426.926 2.313 0 40 IEAB CC(=O)Nc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)c1 67301068 QNHKVGVXLTUCPK-UHFFFAOYSA-N 438.459 2.490 0 40 IEAB CN1C(=O)[C@H]2CN(c3ncccn3)C[C@H]2C12CCN(C(=O)c1ccc(Cl)cc1)CC2 96143552 IXBJWVKGURNARQ-ZWKOTPCHSA-N 425.920 2.329 0 40 IEAB Cc1ccc(NC(=O)[C@@H](C)N2CCN(CC(=O)N3CCCC3)CC2)c(Br)c1 96833114 DZISNPJKGLVPML-MRXNPFEDSA-N 437.382 2.325 0 40 IEAB COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)cc(OC)c1OC 104049581 ISXOWZYGLYPNPI-ZMHGRXQUSA-N 440.452 2.226 0 40 IEAB Cc1nccn1-c1ccccc1CNC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 223510746 SQKWTTHGRROSHL-UHFFFAOYSA-N 428.514 2.272 0 40 IEAB C[C@@H]1Cc2ccccc2N1CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225090951 DRLCEZQNUHPMPN-MRXNPFEDSA-N 427.526 2.460 0 40 IEAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)cc1 238955547 XWYXDZVFLJHDFZ-UHFFFAOYSA-N 443.500 2.143 0 40 IEAB COc1ccc(CN2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CCOC4)nc(O)c3C2)cc1 247891988 MXFAMQBQRSOSMT-LAUBAEHRSA-N 438.528 2.449 0 40 IEAB O=C(NC[C@@H]1CC[C@@]2(COCCN(Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 306129956 ISGBEDFNZSJXKA-WIOPSUGQSA-N 447.539 2.447 0 40 IEAB CC(=O)N1CCC(N(Cc2cncs2)C(=O)c2cc3c(N(C)C)ncnc3n2C)CC1 574935178 YYHYXENRSXZJJB-UHFFFAOYSA-N 441.561 2.144 0 40 IEAB O=C(c1ccc2n[nH]cc2c1)N1CCC[C@@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 606886239 CLRMAQGENIZZBY-CYBMUJFWSA-N 447.421 2.068 0 40 IEAB CN(C1CN(c2ccc3nnc(C4CC4)n3n2)C1)S(=O)(=O)Cc1ccccc1Cl 1565519616 UUUSCUYJLUINRC-UHFFFAOYSA-N 432.937 2.306 0 40 IEAB CCc1ccc(N2CN=c3s/c(=C\c4cc(OC)c(OC)c(OC)c4)c(=O)n3C2)cc1 2246929 CSNCUVGKMYVVIB-NDENLUEZSA-N 439.537 2.382 0 40 IEAB O[C@@H](COCCOc1ccc(Br)cc1)CN1CCN(c2ccccn2)CC1 8385275 MPFOFCAAJQPJGC-GOSISDBHSA-N 436.350 2.423 0 40 IEAB CC(C)NC(=O)CN(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 8718990 BOCNZQJQPNXSQL-UHFFFAOYSA-N 426.473 2.063 0 40 IEAB CSCC[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 8741051 QMVIFLXHHMSCNR-GOSISDBHSA-N 445.564 2.064 0 40 IEAB O=C(NCc1ccco1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 8862034 BOCGQBGFKSWUJN-UHFFFAOYSA-N 433.530 2.221 0 40 IEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N(C)Cc1nc3ccccc3c(=O)[nH]1)C2=O 8965518 IZIYRWYHQVRMHC-LFVRLGFBSA-N 439.516 2.018 0 40 IEAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2nnnn2-c2ccccc2)CC1 9173136 SJOVEXUENIOYRE-UHFFFAOYSA-N 439.328 2.480 0 40 IEAB CCCn1nc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O 9255491 OHIPMMMJYRUMLL-UHFFFAOYSA-N 444.513 2.318 0 40 IEAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCNS(=O)(=O)c3ccccc3)c2C)no1 9283988 NSYUOENXGWYLCX-UHFFFAOYSA-N 445.497 2.485 0 40 IEAB CC(=O)Nc1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 9519408 IVUYTMSKSGWRLF-UHFFFAOYSA-N 448.479 2.280 0 40 IEAB O=C(CCCc1ccccc1)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569919 BIZLBYHQBMSVJY-UHFFFAOYSA-N 433.549 2.417 0 40 IEAB CC(C)N1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccccc3)c2C(N)=O)C1 9599588 QUFOSYFIETXWLL-UHFFFAOYSA-N 435.571 2.416 0 40 IEAB O=C(COC(=O)CCOc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12600688 ZEDFTJNQNJNCJS-UHFFFAOYSA-N 432.498 2.422 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccn3)CC2)ccc1OC 13041172 IJCYPEWOBVVEHX-UHFFFAOYSA-N 432.546 2.083 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)c1ccc(Br)cc1 13648248 ULINTVGYZPOAEY-UHFFFAOYSA-N 432.384 2.207 0 40 IEAB COc1ccc(-n2nnc3c(N4CCN(C(=O)Cc5ccc(F)cc5)CC4)ncnc32)cc1 15884061 ZRVWRCWZJFHUKH-UHFFFAOYSA-N 447.474 2.250 0 40 IEAB O=S1(=O)CC[C@@H](Sc2nc3ccccc3nc2S[C@@H]2CCS(=O)(=O)C2)C1 16545181 ZQOHGMGSXUWERH-VXGBXAGGSA-N 430.598 2.188 0 40 IEAB CCOC(=O)c1sc(NC(=O)CSc2nc(N)cc(=O)[nH]2)nc1-c1ccccc1 18220075 MJOMYHQUNJCGIH-UHFFFAOYSA-N 431.499 2.383 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)Nc1ccc2c(c1)OCO2 19102001 WXMQROQJWDOUCT-INIZCTEOSA-N 434.499 2.362 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC1)O2 19496198 MWIPZTFIVWOCRH-LSRZYVKLSA-N 443.544 2.264 0 40 IEAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699644 WILDIILMECNOTF-HMXCVIKNSA-N 438.572 2.263 0 40 IEAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(CC(=O)Nc1ccc(F)cc1)CC2 19710324 UPCXXRJSAQYBSQ-INIZCTEOSA-N 440.523 2.380 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc1 22278132 HVYSDJCBFVOZPU-UHFFFAOYSA-N 448.541 2.387 0 40 IEAB C[C@]1(CSc2ccccc2C(=O)N2CCN(Cc3ccsc3)CC2)NC(=O)NC1=O 25050269 IIGLPTAKPWXVOR-OAQYLSRUSA-N 444.582 2.396 0 40 IEAB COc1cc2ncn(CCC(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC 32124418 PAXLKTGTDQJPGJ-UHFFFAOYSA-N 443.456 2.468 0 40 IEAB biogenic Cc1ccccc1OCCN(C)C(=O)[C@@H](CS(=O)(=O)c1ccccc1)N1CCOCC1 32913302 QEEAXLZSRSUWQW-OAQYLSRUSA-N 446.569 2.007 0 40 IEAB O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCc2nc(-c3ccccc3)ncc2C1 32913589 HJDCANRQGBFFOA-UHFFFAOYSA-N 440.511 2.383 0 40 IEAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)N[C@@]3(C)CCS(=O)(=O)C3)nc2n1 32970984 RLJSHAUYRVNDAN-FQEVSTJZSA-N 445.570 2.340 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4c(C)nn(C)c4C)CC3)cccc2c1 33197960 WWTAPHJUCKWTPM-UHFFFAOYSA-N 427.530 2.040 0 40 IEAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1Cl)C(=O)OC 36575886 XZFWKSYXCBREDM-QAPCUYQASA-N 434.880 2.215 0 40 IEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1cc(-n2cnnn2)ccc1F 40146274 UPSFMBFEPMISQM-UHFFFAOYSA-N 449.372 2.446 0 40 IEAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[nH]c(=O)c21 40388886 XXOQFPUNYORVND-KBPBESRZSA-N 425.489 2.469 0 40 IEAB O=C(Cn1ncc2c(c1=O)N(C1CC1)C(=O)CS2)NCc1ccc(C(F)(F)F)cc1 62007023 UREVKRNQPPRORI-UHFFFAOYSA-N 438.431 2.180 0 40 IEAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C(C)C)c1 72288213 SZNYEVHWGWUPOQ-UYAOXDASSA-N 446.525 2.103 0 40 IEAB CC(C)c1cc(C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)n(C)n1 72394934 CSBMLXJBKWIQTK-FUHWJXTLSA-N 427.549 2.013 0 40 IEAB CCCC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)CCOC)nn3c(O)c2C1 100234704 VSGXGEVLQAKRGW-SFHVURJKSA-N 429.521 2.210 0 40 IEAB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101362880 VETIPRLHUXVWSV-MJTYITSWSA-N 425.466 2.124 0 40 IEAB COc1ccc(CN(C)C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1OC 216472058 FWWSMGBXSMGFMA-UHFFFAOYSA-N 448.541 2.138 0 40 IEAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 220218828 VDLIBTLVQPGYHT-ZDUSSCGKSA-N 436.486 2.284 0 40 IEAB CCNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)c1 223016905 SMSJQTACNDJKGA-UHFFFAOYSA-N 445.541 2.411 0 40 IEAB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 223715518 MZJXLXNRQXRMCW-VQTJNVASSA-N 439.545 2.329 0 40 IEAB COC(=O)c1cc(NC(=S)N2CCN(Cc3cccc(O)c3)CC2)cc(C(=O)OC)c1 225221216 SQQOLBBDEYHPTJ-UHFFFAOYSA-N 443.525 2.480 0 40 IEAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225565095 JLARJVAANMKJLW-UHFFFAOYSA-N 442.497 2.030 0 40 IEAB CCOC(=O)CN1[C@H]2CCCC[C@@H]2NC(=O)[C@H]1CC(=O)Nc1cc(Cl)ccc1OC 250484052 ZBXKLESCWFWVQN-BHYGNILZSA-N 437.924 2.352 0 40 IEAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)CCNC(=O)c3cccnc3)[C@H]1CCCC(=O)N2 257321407 WBODCOGYMDFUNO-CZSZKKDXSA-N 434.540 2.473 0 40 IEAB O=C(CCCn1c(C(F)(F)F)nc2ccccc21)N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O 257335674 YLJBMSPPPDKRST-SZVBFZGTSA-N 440.466 2.176 0 40 IEAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CN(S(=O)(=O)N3CCCC3)CCO2)n1 257341877 ZMHDCBNMLQIPRS-LJQANCHMSA-N 432.550 2.254 0 40 IEAB CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1 408703896 VHIHPWRLVQOHFM-UHFFFAOYSA-N 438.546 2.285 0 40 IEAB CCOc1c(Br)cc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)cc1OC 409202902 UDIROHNLGZNUOV-GHXNOFRVSA-N 443.319 2.429 0 40 IEAB C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 501930617 ZTEJAGCNJLIXRB-KDOFPFPSSA-N 446.467 2.331 0 40 IEAB O=C(C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)N1CCO[C@]2(CCc3ccccc32)C1 513498567 ARJTVGGTWYLNRJ-WMPKNSHKSA-N 432.520 2.387 0 40 IEAB CC(C)CC(=O)NC[C@@H]1CCCc2nc3c(c(=O)n21)CN(C(=O)Cc1ccccc1)CC3 585110078 FRNPYLLQAHVWSZ-IBGZPJMESA-N 436.556 2.410 0 40 IEAB COC(=O)[C@H](CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O)Cc1cccc(C)c1 609310550 FIWGZTIFYMMOKW-GHTZIAJQSA-N 436.512 2.204 0 40 IEAB O=C1NCCOCCOc2ccc(C(=O)N3CCC[C@H](CO)C3)cc2Cc2cccc1c2 643575523 LPEZAXBWEXOJPK-IBGZPJMESA-N 438.524 2.261 0 40 IEAB O=C(O)CCCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)Cc3ccccc3)c(=O)n1C2 4237053 GQHSPWDARXUKMW-ZWKOTPCHSA-N 437.496 2.230 0 40 IEAB biogenic,in-vitro CC(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 8740144 GYNBJXYSAYSAGU-DYESRHJHSA-N 440.496 2.263 0 40 IEAB biogenic Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 9187654 POPFRZOURFSWFL-MRXNPFEDSA-N 427.892 2.339 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccccc2)C(=O)N3)cc1 9526722 ZINPWEPWWXIYPZ-UHFFFAOYSA-N 434.496 2.213 0 40 IEAB biogenic O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 9587195 VLDBLBXZBLKIJG-UHFFFAOYSA-N 425.409 2.025 0 40 IEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2)C1=O 9609971 LGERJDSYFPCFHY-HSZRJFAPSA-N 436.468 2.421 0 40 IEAB CCCc1cc(=O)[nH]c(SCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)n1 13163732 UIXLBNKOJJLEKM-QGZVFWFLSA-N 435.571 2.030 0 40 IEAB COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CSc3ccc(NC(C)=O)cc3)C2=O)c1 14157949 BQVGSPUMADWKBG-OAQYLSRUSA-N 442.497 2.244 0 40 IEAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NC(=O)NCc1ccco1 14357803 FHGWGLVONBBWJA-KRWDZBQOSA-N 435.864 2.257 0 40 IEAB COC(=O)c1ccc2c(=O)n(CC(=O)NCc3ccc(OC)c(OC)c3)c(=S)[nH]c2c1 16959919 ULCIYNCRIYOKOI-UHFFFAOYSA-N 443.481 2.179 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N[C@H]3CCCC[C@@H]3C)CC1)O2 19496200 MWIPZTFIVWOCRH-TVVUZDRGSA-N 443.544 2.264 0 40 IEAB CCOc1ncc(C2(O)CCN(Cc3cc4c(cc3OC)OCO4)CC2)c(OCC)n1 19531719 UXPKYITZBOPMHI-UHFFFAOYSA-N 431.489 2.495 0 40 IEAB COc1cc(CC(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc(OC)c1OC 19549620 QCISXFCKOUDNMH-INIZCTEOSA-N 427.501 2.164 0 40 IEAB C[C@]12CN(Cc3ccccc3)C[C@H]1C(=O)N(CC(=O)N1CCCC1)c1ccccc1C(=O)N2 19576342 KUILBTCJNCHZQW-LVXARBLLSA-N 446.551 2.276 0 40 IEAB NC(=O)c1cc([C@@H]2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)nc2ccccc12 19762305 WVSCSUQLRHHCRT-FQEVSTJZSA-N 428.452 2.128 0 40 IEAB CCOc1ccccc1-n1ccn(CC(=O)Nc2cc(OC)ccc2OC)c(=O)c1=O 22724742 JYRVSXNBGGAPOW-UHFFFAOYSA-N 425.441 2.054 0 40 IEAB CCOC(=O)CN(C(=O)COC(=O)CCNC(=O)c1ccc(F)cc1F)c1ccccc1 25020534 CHJUCUUMUUZCFY-UHFFFAOYSA-N 448.422 2.224 0 40 IEAB Cn1cc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2C)cn1 25308703 SIKXEGBWXBNRCP-UHFFFAOYSA-N 430.534 2.053 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3cn(C)c4ccccc34)CC2=O)c1 32102945 XIKNRJMYYSQPLJ-INIZCTEOSA-N 434.496 2.086 0 40 IEAB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC(N)=O)cc1 32622845 UHZRYBZUCVDNGX-OAQYLSRUSA-N 435.480 2.154 0 40 IEAB Cc1csc(=O)n1CCCC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 32740835 XGCPFHSIDWUDQQ-UHFFFAOYSA-N 446.573 2.310 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(-n4cncn4)nc3)CC2)c1 40108696 MFFNJJNWILBPCJ-UHFFFAOYSA-N 436.472 2.170 0 40 IEAB CC(C)CCn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952513 UIIWQHMMRUTEIA-UHFFFAOYSA-N 444.967 2.445 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC(C(=O)NC2CC2)CC1 59826893 TYDTWTUTSJBFQB-UHFFFAOYSA-N 433.574 2.300 0 40 IEAB COc1ccc(NC(=O)Cn2cc(S(=O)(=O)N3CCCCC3)ccc2=O)cc1Cl 65237414 XVNZXNPKTYCPNA-UHFFFAOYSA-N 439.921 2.324 0 40 IEAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccnn4[C@H]4CCCCO4)C[C@H]32)c(OC)n1 72392629 VZNZLVZGEPVXTE-DJZBOODTSA-N 429.521 2.119 0 40 IEAB CC[C@]1(C)NC(=O)N(NC(=O)CN2C[C@H](C)Oc3cc(C)c(Br)cc32)C1=O 79051274 DJTMULIZBKBPEN-VOJFVSQTSA-N 439.310 2.097 0 40 IEAB COc1cccc(NC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4cnn(C)c4)CC3)O2)c1 96262969 UFGXOWQZXNCHDG-FQEVSTJZSA-N 436.516 2.154 0 40 IEAB Cc1c(NC(=O)CSc2nnnn2[C@@H]2C[C@H]3C=C[C@H]2C3)c(=O)n(-c2ccccc2)n1C 100216114 UNFRRSHMNXTETD-YQQAZPJKSA-N 437.529 2.339 0 40 IEAB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@H]1[C@@H]3Sc2[nH]c(=O)sc2C12CCCCC2 101262037 FUPMLKHYFHMFNU-GURSMSNASA-N 448.566 2.454 0 40 IEAB Cc1ccc(-c2noc(CN(C)C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)n2)cc1 219673001 XBXKEGASQIFMBZ-UHFFFAOYSA-N 440.481 2.238 0 40 IEAB C[C@@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222684271 IRDININXQFJMJA-GFCCVEGCSA-N 426.441 2.379 0 40 IEAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c32)cc1 223053516 SJLQWVWHOZQIBB-CZUORRHYSA-N 425.489 2.469 0 40 IEAB C[C@@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223879670 SUJICOAHJXWCNN-ZIAGYGMSSA-N 442.534 2.261 0 40 IEAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224080273 LKBINTREAFVESC-KRWDZBQOSA-N 448.541 2.424 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408647495 UALCDIZXSZVJNJ-UHFFFAOYSA-N 448.497 2.389 0 40 IEAB CC(=O)N1CCc2ccc(S(=O)(=O)N(C)[C@@H](C(=O)O)c3ccc(F)cc3)cc2CC1 515049394 FESQHKKXIVXROG-HXUWFJFHSA-N 434.489 2.219 0 40 IEAB Cc1c(C(=O)NCCN2c3cc(F)ccc3N(C)S2(=O)=O)cnn1-c1ccccc1 575613500 SLEYNVKUFCWTIS-UHFFFAOYSA-N 429.477 2.251 0 40 IEAB CNC(=O)[C@H]1Cc2cc(OC)c(OC)cc2CN1C(=O)CC1(n2cccc2)CCOCC1 1565519263 XZNTUVUGWRTXGC-LJQANCHMSA-N 441.528 2.101 0 40 IEAB biogenic CN1CCC(NC(=O)[C@@H]2CN(CC3CCOCC3)[C@H]3c4cc(F)ccc4OC[C@@H]23)CC1 1772595943 UPPCQGAZWFJTJX-GIWBLDEGSA-N 431.552 2.444 0 40 IEAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5ccc(C)cc5)C[C@@H]4C3)ncnc21 1888930620 KCLHUYKWLWVFRX-ROUUACIJSA-N 426.546 2.053 0 40 IEAB NC(=O)c1ccc(N2C(=O)NC(=O)[C@]3(Cc4ccccc4N4CCCCC[C@H]43)C2=O)cc1 8694638 ILUDLRVSWDMYAV-YADARESESA-N 432.480 2.360 0 40 IEAB CCN1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1 9379193 HCADSJUFRYNHTG-UHFFFAOYSA-N 449.555 2.324 0 40 IEAB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2 9396698 HYGHTIBHHMKTDO-UHFFFAOYSA-N 444.542 2.359 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 9415961 IYGOFUIAOZKYGR-QGZVFWFLSA-N 438.502 2.034 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4ccccc34)CC2)cc1 9530732 MMSIGXSQSANYSV-UHFFFAOYSA-N 426.498 2.273 0 40 IEAB Cc1cc2c(cc1NS(=O)(=O)c1ccc(Br)s1)n(C)c(=O)c(=O)n2C 9645715 LIQDTCGADJUDOL-UHFFFAOYSA-N 444.332 2.170 0 40 IEAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 9787750 LDESEPOOVCYIFJ-OAHLLOKOSA-N 429.498 2.384 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@H]1c1ccc(OC)cc1 10166078 RNAMSZDQJHRUNK-FUHWJXTLSA-N 426.469 2.212 0 40 IEAB COc1ccc(-c2cc(C(=O)N(C)C3CCN(C)CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11997023 CBWQGXRJSXKLBM-GOSISDBHSA-N 446.573 2.085 0 40 IEAB CS(=O)(=O)c1cnc2ncnn2c1[C@H]1CCCN(C(=O)c2csc3c2CCCC3)C1 12129563 IUUIDAXISRVHGP-ZDUSSCGKSA-N 445.570 2.488 0 40 IEAB CCn1cc([C@H]2C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)N(C)S(=O)(=O)N2)c(C)n1 12130340 ZGNVXMOYBOFKDQ-CVEARBPZSA-N 445.467 2.449 0 40 IEAB C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)NC1CC1 12557004 DDOCFKOZAGRODW-ZDUSSCGKSA-N 446.481 2.083 0 40 IEAB O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 12803033 VMALNNDQXFRMFH-UHFFFAOYSA-N 444.431 2.497 0 40 IEAB COc1ccc(OC)c(/C=c2\sc3nnc(-c4ccc(OC)c(OC)c4)n3c2=O)c1 13566073 ZVHGIRDXXHGKQS-WQRHYEAKSA-N 425.466 2.400 0 40 IEAB CS(=O)(=O)Cc1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 14241225 LPEPLZLUDWVKKL-UHFFFAOYSA-N 446.554 2.301 0 40 IEAB COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)cc1 15884014 XDSPVLBXFCNTQW-UHFFFAOYSA-N 447.474 2.250 0 40 IEAB CCN1CCN(C(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 17288409 AFRLXKNNAFOGTE-IBGZPJMESA-N 435.528 2.096 0 40 IEAB CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)COc4ccccc4)nn3c(O)c2C1 19017936 DKJRQAXIUUQCMS-NRFANRHFSA-N 449.511 2.472 0 40 IEAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339562 MRDRLUCUEIRKMX-LJQANCHMSA-N 447.514 2.421 0 40 IEAB C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2cc4c(cc2Cl)OCO4)C3)C[C@@H](C)O1 19497577 AEFAJBFWWMOPGD-CHWSQXEVSA-N 432.908 2.324 0 40 IEAB COc1cccc(CN2CCC(N3C(=O)NC4(CCN(C(=O)C(C)C)CC4)C3=O)CC2)c1 19699435 WSCACNNPDKRVQV-UHFFFAOYSA-N 442.560 2.229 0 40 IEAB CSCC[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)N=c1[nH]c2ccccc2[nH]1 20744503 UREICCCUUVWLGW-YJBOKZPZSA-N 426.498 2.001 0 40 IEAB Cn1cc2c(n1)c(=O)n(Cc1ccc(F)cc1)c(=O)n2CC(=O)Nc1cccc(Cl)c1 21730705 GLVWKQJRYJSFBK-UHFFFAOYSA-N 441.850 2.376 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 21893171 NJEYYAJFVRMUPD-VMPITWQZSA-N 448.497 2.377 0 40 IEAB O=C(CSc1nnnn1-c1cccc(F)c1)N1CCN(CCOc2ccccc2)CC1 22096088 DFGLAUXWFSTUCL-UHFFFAOYSA-N 442.520 2.117 0 40 IEAB CCn1c(CCC(=O)Nc2c(C)nn(C)c2C)nc2cc(S(=O)(=O)N(C)C)ccc21 22838297 HJCYJSFAMSHODG-UHFFFAOYSA-N 432.550 2.228 0 40 IEAB COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 23115948 CCIGYJLUYNCFJG-UHFFFAOYSA-N 448.541 2.430 0 40 IEAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCN(Cc3ccncc3)CC1)cn2CC(=O)O 36354220 HYBOBAWSGCSYKH-QFIPXVFZSA-N 438.484 2.073 0 40 IEAB Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H](c3ccccc3)N3CCN(C)CC3)cc2)o1 44894132 VMCUFADMAZKIIO-NRFANRHFSA-N 448.527 2.088 0 40 IEAB Cc1ccc(OCc2nc(CN3CCN(CC(=O)N4CCOCC4)CC3)cs2)cc1 58311494 XUBMFXNFMKAZAT-UHFFFAOYSA-N 430.574 2.007 0 40 IEAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc[nH]n1 72394872 FGWUJSJSTFQNAD-IRLDBZIGSA-N 447.539 2.102 0 40 IEAB Cn1c(CCNC(=O)CC[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)nc2ccccc21 96118708 SXVWPQDQOYFAKD-IBGZPJMESA-N 433.512 2.175 0 40 IEAB CN(C)C(=O)[C@@]12CCC3(CCN(C(=O)Nc4ccccc4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 96143746 ANRLCUMMTQTVKJ-PGRDOPGGSA-N 448.589 2.061 0 40 IEAB O=C(Nc1ccc(O)cc1)[C@@H]1[C@H]2O[C@@H](C(Br)=C2Br)[C@@H]1C(=O)O 100352174 WFONNECOASBXLL-JTRYMVSWSA-N 433.052 2.430 0 40 IEAB COc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1OC 223210107 DBCVWCNMQBAORH-UHFFFAOYSA-N 442.563 2.451 0 40 IEAB Cc1cc(C(=O)NCc2cccc(CN3CCOCC3)c2)ccc1N(C)S(C)(=O)=O 224750243 WSCWRMJBEPAWMX-UHFFFAOYSA-N 431.558 2.153 0 40 IEAB Cc1cnc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)cn1 257239415 HPDNMDWZKXDWBP-LSQMVHIFSA-N 437.588 2.004 0 40 IEAB COc1ccc(N(CC(=O)NCCCn2ccnc2)S(=O)(=O)c2ccccc2)cc1 408616281 FUMCCUZQGKSKPZ-UHFFFAOYSA-N 428.514 2.294 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408702232 AISBDKWKRULMJN-AWEZNQCLSA-N 448.497 2.428 0 40 IEAB O=C(Cc1cccc(F)c1)N1CCC2(CC1)CCn1c2nn(Cc2ccccc2)c(=O)c1=O 585106526 NSRPKCIKASVCJR-UHFFFAOYSA-N 448.498 2.099 0 40 IEAB Cc1nc2ccccc2n1[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C1 585149224 PCTJMKKCKMPMGF-CYBMUJFWSA-N 427.465 2.300 0 40 IEAB COCCCn1c(C)cc(=O)c([C@H](CC(=O)OC)c2cc(OC)c3c(c2)OCO3)c1O 1547208965 YPAFNFPJIHPVMR-OAHLLOKOSA-N 433.457 2.331 0 40 IEAB Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C](O)CN1CCOCC1 1560410170 AGDOQJUJOVOBNE-ZDLGFXPLSA-N 441.483 2.230 0 40 IEAB NCCCOCCOCCOCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1 1857793979 KEYJFNBLWBESNE-UHFFFAOYSA-N 428.529 2.436 0 40 IEAB COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC 2352805 MVCHONVXACROJB-UHFFFAOYSA-N 434.514 2.168 0 40 IEAB O=C(COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1OC(F)F 3278686 RYZQQCAYOXTDBA-ZHACJKMWSA-N 440.424 2.360 0 40 IEAB O=C(Nc1nccs1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 3407215 BEIZNOCOXUIPKW-INIZCTEOSA-N 445.522 2.443 0 40 IEAB O=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 3417158 AKELMALWYPOUPC-UHFFFAOYSA-N 434.367 2.305 0 40 IEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(C(=O)c3ccccc3)CC1)C2=O 3417331 YQLPUTLVAFWGTL-OSPHWJPCSA-N 440.544 2.108 0 40 IEAB CCCCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nc2c1c(=O)n(C)c(=O)n2C 6162143 FHNVPHJHNHJAGM-UHFFFAOYSA-N 443.529 2.167 0 40 IEAB CCC[C@]1(C(=O)OCC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 8036071 PWHHLLSJOAWOAM-MIVHDCIWSA-N 448.516 2.080 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 9189909 YCMSDLTYJHAISX-RUZDIDTESA-N 443.459 2.252 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 9524558 CQBRJPBFBLPCGA-YJBOKZPZSA-N 445.522 2.026 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OC)c(F)c3)n2)cc1 9661018 CXINSIGHWWIBQZ-UHFFFAOYSA-N 433.461 2.045 0 40 IEAB CSc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(C)cc2)cc1 10283749 WADVAIRETLDMSR-UHFFFAOYSA-N 447.582 2.213 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 11549412 GBOLONPPYAPCSI-UHFFFAOYSA-N 439.559 2.171 0 40 IEAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc3ccccn23)C1 12391012 QARXUPHFBNXAAA-CQSZACIVSA-N 433.921 2.067 0 40 IEAB O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12696428 NBWQPSHWAHDRGK-UHFFFAOYSA-N 432.452 2.297 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)c1ccccc1OC 12857909 MUBIWMPDXURQEW-HNNXBMFYSA-N 434.514 2.216 0 40 IEAB O=C(NC1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1)c1ccccc1 12987831 YUXDDSODJBRHHL-UHFFFAOYSA-N 434.290 2.193 0 40 IEAB COc1cccc(-n2c(=O)n(CC(=O)c3ccc(F)cc3)c3c(C(N)=O)nc(C)nc32)c1 13228024 HJEZVQBBNLWPHY-UHFFFAOYSA-N 435.415 2.020 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1cccc(Cl)c1 13640128 KOXGTAGMXWZOKV-OALUTQOASA-N 441.919 2.263 0 40 IEAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CCN(CC(=O)NC2CC2)CC1 14118217 HDPKJSKQXDBAQR-MDZDMXLPSA-N 427.936 2.270 0 40 IEAB COc1ccc(-c2noc(COC(=O)[C@@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)cc1OC 14124450 LPKOBWDGZAYSHR-YUELXQCFSA-N 441.440 2.137 0 40 IEAB COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)O)c(=O)cc1[C@H](NC(C)=O)CC2 15959843 VKVVDPPQTRCHHN-MRXNPFEDSA-N 442.468 2.360 0 40 IEAB biogenic O=C(c1cc(Br)ccc1O)N1CCN(S(=O)(=O)c2cccs2)CC1 16495252 YRGJLTQVQZRHPH-UHFFFAOYSA-N 431.333 2.363 0 40 IEAB COc1ccc(-c2nnc3n(Cc4ccccc4Cl)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 17144422 USYNRMQYVOVVJS-UHFFFAOYSA-N 436.859 2.448 0 40 IEAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C1)N2 19127610 CJBZOOYMCMBOMK-LJISPDSOSA-N 434.484 2.152 0 40 IEAB CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(C)CC1 19499623 WYRUGUZFDOPNOT-LJQANCHMSA-N 425.537 2.005 0 40 IEAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN(C(=O)c2n[nH]c(=O)[nH]2)C1 19528564 GXSGETHJBYWEFM-XMMPIXPASA-N 433.512 2.366 0 40 IEAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)CN3CCCC3)CC2)n1 19756469 AQYNVFUIKCSXPA-UHFFFAOYSA-N 441.551 2.366 0 40 IEAB COc1ccc(NC(=O)Cn2ccn(Cc3ccccc3OC)c(=O)c2=O)cc1Cl 20488701 UGBMDCZNUNADBB-UHFFFAOYSA-N 429.860 2.368 0 40 IEAB CN(Cc1cccc(Cl)c1Cl)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 21198191 UTBHABGPJAYXEU-LBPRGKRZSA-N 432.329 2.117 0 40 IEAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 23560768 YOOMFSJQLFEWPT-FZMZJTMJSA-N 429.546 2.479 0 40 IEAB O=C(CCn1nc(-c2cccs2)oc1=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 23995209 VUKFTGZTVVFWCP-UHFFFAOYSA-N 440.525 2.234 0 40 IEAB CSc1ccc(N2C[C@@H](C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)CC2=O)cc1 24924592 ORTZTSAOLGEEBJ-FPTDNZKUSA-N 438.509 2.260 0 40 IEAB CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(=O)O 31156841 OOEOVXMORBPOKC-RXCFHPIVSA-N 431.570 2.280 0 40 IEAB biogenic,in-vitro C[C@H]1NC(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)=NN(c2ccccc2)C1=O 32714794 QAGYQZSMBBUULJ-CYBMUJFWSA-N 428.876 2.456 0 40 IEAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 32833609 MCRLYWFJMGYGCR-UHFFFAOYSA-N 448.526 2.343 0 40 IEAB O=C(CCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)N[C@H]1CCS(=O)(=O)C1 33586040 YPBORMQLVTVVNA-IGVUGNCQSA-N 428.919 2.070 0 40 IEAB COc1cc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1OC 34862882 BMSLWHCPGVNOEP-IIAWOOMASA-N 436.505 2.069 0 40 IEAB C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)C1 40090871 MGQSYXQADMTIOR-GJZGRUSLSA-N 449.511 2.003 0 40 IEAB COc1ccc(CNC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(Cl)cc2)C3)cc1 49549968 BXEHINJQJNOZKI-UHFFFAOYSA-N 427.848 2.012 0 40 IEAB COc1ccc(CCNC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)cc1OC 57486020 LOXRLAIIWQYNMA-UHFFFAOYSA-N 445.541 2.257 0 40 IEAB CC(=O)[C@H]1CC(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)=NN1c1ccccc1 58226985 OLORSWYTHAIHNZ-HSZRJFAPSA-N 447.539 2.430 0 40 IEAB Cc1ncsc1CN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCOCC3)cc2)[C@H]1CO 72321220 JEVZMZVUOJGPGM-WIYYLYMNSA-N 445.541 2.278 0 40 IEAB biogenic,in-vitro COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4F)[C@@H]3C2=O)cc1Cl 101168812 QFXURLKHFUUAAE-IRXDYDNUSA-N 431.811 2.420 0 40 IEAB Cc1ccccc1OCCNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224113013 UIVPFCMNAOFUIS-INIZCTEOSA-N 434.514 2.116 0 40 IEAB C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccccc1F)S(C)(=O)=O 224578236 KAPLATMRPQGGKC-KRWDZBQOSA-N 449.548 2.129 0 40 IEAB COC(=O)CSc1nnc(NS(=O)(=O)c2cc3c(cc2OC)CCCC3)s1 225278821 UMGMCTZAESIVSF-UHFFFAOYSA-N 429.545 2.491 0 40 IEAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 225903178 DDDIGSRHJDODHM-QZTJIDSGSA-N 447.653 2.178 0 40 IEAB CCn1ccc(C(=O)N2CCN(C)[C@@H](C(=O)NCCc3ccc(C(F)(F)F)cc3)C2)n1 257266735 MEGHOHOFVJKGLN-GOSISDBHSA-N 437.466 2.037 0 40 IEAB CCOCCCNC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1 409111445 CHNBMCRROXODCH-UHFFFAOYSA-N 436.530 2.442 0 40 IEAB Cc1ccccc1N1CCC(O)(CN2CCOC[C@@](O)(COc3ccccc3)C2)CC1 585288143 XOAKVKHARQIKPM-RUZDIDTESA-N 426.557 2.469 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5cccc(Cl)c5)C[C@H]4C3)nn12 1888930576 BXOXZDIRKQDMKB-OKILXGFUSA-N 432.937 2.097 0 40 IEAB Cc1cc(=O)n(CC(=O)N2CCC(c3ccc4cc(-c5cncnc5)cnc4n3)CC2)cn1 1891544900 FNYBAQRIRUPYQM-UHFFFAOYSA-N 441.495 2.358 0 40 IEAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1 4554229 RDNVEYCMFCJACX-INIZCTEOSA-N 427.592 2.247 0 40 IEAB CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)C[C@@H](C(=O)O)O2 6182860 SVNACZROGVHTGQ-INIZCTEOSA-N 445.902 2.175 0 40 IEAB COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5c4ccc(OC)c5OC)[C@H]3C[C@H]12 8681865 TTZWEOINXHJHCY-WJCGARMQSA-N 428.485 2.080 0 40 IEAB biogenic Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)[C@H]1COc2ccccc2O1 8735285 RIXIXXNNOBCNIL-IFMALSPDSA-N 432.480 2.329 0 40 IEAB CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3cc(OC)ccc3OC)cc2C1 8840335 QJFNFKYFDKEQRP-UHFFFAOYSA-N 440.543 2.212 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cc(OC)ccc2OC)c1 9124866 FPBDBJYSTBJDQV-UHFFFAOYSA-N 431.397 2.073 0 40 IEAB NC(=O)c1c(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)sc2c1CCC2 9257109 UZEDAPBCWQOMFX-UHFFFAOYSA-N 432.590 2.389 0 40 IEAB COc1ccc(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1OC 9306240 JPCDBJUJBSWQJV-UHFFFAOYSA-N 425.485 2.237 0 40 IEAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 9396107 JUDARMCUGUIMQV-UHFFFAOYSA-N 440.433 2.169 0 40 IEAB COc1ccc(NCCn2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1Cl 9419930 KLQZNFOXRUVFMM-UHFFFAOYSA-N 430.896 2.077 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 9443903 UEGGRICRGNEFOM-UHFFFAOYSA-N 437.543 2.151 0 40 IEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 9445445 PQYDWPCTTOZGRC-ZDUSSCGKSA-N 427.482 2.386 0 40 IEAB CCc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 9469535 RWMQYKXABMNPCH-OAHLLOKOSA-N 436.472 2.445 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4F)[C@H]3C2=O)cc1Cl 9674946 QFXURLKHFUUAAE-DLBZAZTESA-N 431.811 2.420 0 40 IEAB CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 9714505 DDNCXTJFJJYQST-UHFFFAOYSA-N 438.576 2.368 0 40 IEAB Cc1ccccc1CNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 9743646 BYRXOTDJFZBWFM-HXUWFJFHSA-N 443.569 2.361 0 40 IEAB COC(=O)c1ccc([C@H]2c3c(-c4ccc(OC)cc4)nnc(O)c3Nc3nnnn32)cc1 10295546 QJRKRXOBFRTNIJ-SFHVURJKSA-N 431.412 2.326 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCC3(CC2)Nc2cc(OC)ccc2S(=O)(=O)N3)c1 12142598 CBVHQGNBWADCPH-UHFFFAOYSA-N 447.513 2.049 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](c3nc(C)nc4ncccc34)C2)CC1 12254196 PVOJMWPPKQMJLQ-QGZVFWFLSA-N 431.562 2.101 0 40 IEAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3SC[C@]3(C)NC(=O)NC3=O)cc2NC1=O 12783829 QIEDCMZRCZIUPE-FIKIJFGZSA-N 440.481 2.349 0 40 IEAB CNC(=O)NC(=O)[C@H](NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 12867311 MSZRVPLRZPXMSY-HXUWFJFHSA-N 444.557 2.148 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(Cl)c(NC(=O)COc3cccc(F)c3)c2)CC1 12899667 ICXZOUHPLROSIS-UHFFFAOYSA-N 441.912 2.433 0 40 IEAB Cc1cc(C)n2c(SCC(=O)N(c3ccccc3)[C@@H]3CCS(=O)(=O)C3)nnc2n1 13117037 OLNBTHVTPIVDCI-MRXNPFEDSA-N 431.543 2.054 0 40 IEAB O=S(=O)(c1ccn(S(=O)(=O)c2ccccc2)c1)N1CCN(c2ccccc2)CC1 13585792 UNAGWUCHOAPFDI-UHFFFAOYSA-N 431.539 2.236 0 40 IEAB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCCN21 15955228 CGRILSBRFQVTJJ-KHTISZTLSA-N 445.475 2.463 0 40 IEAB biogenic Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)NC[C@H]3CCCO3)c12 16993004 AYJOUYUJBIHTSG-HUUCEWRRSA-N 444.513 2.268 0 40 IEAB C[C@H](CCc1ccco1)NC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 19455825 IIZWWZFAVZCAPH-CKNGIIGNSA-N 439.516 2.065 0 40 IEAB COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)[C@H]4CCC(=O)N4)C3)cc2)cc1 19558192 JPASCXPSCUTBSI-PXDATVDWSA-N 435.524 2.277 0 40 IEAB COc1cccc(CC(=O)N2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(COCCC(=O)N3)C2)c1 19564466 ROUAFNBJIZEMEC-MBSDFSHPSA-N 430.451 2.417 0 40 IEAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 19694220 FXASPKTXWZCFIC-INIZCTEOSA-N 436.491 2.462 0 40 IEAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 19710566 PQOBNBNLTUJLND-IBGZPJMESA-N 429.546 2.339 0 40 IEAB CCCC(CCC)C(=O)NCCN1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 22732924 YDKYJETWDOEHSR-UHFFFAOYSA-N 425.595 2.334 0 40 IEAB C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CCN(CCOc2ccccc2)CC1 22789331 JLANJRUQYKPLIV-MRXNPFEDSA-N 442.585 2.359 0 40 IEAB COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)[C@H]3C[C@H]3C)ccc2OC)cc1 23189116 QKSOEMGTOMMGMT-DYVFJYSZSA-N 447.513 2.215 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)cc2)CC1 23682338 GGPCIWLQDZUKOC-FXAWDEMLSA-N 437.587 2.500 0 40 IEAB O=c1c(Cl)c(N2CCN(Cc3nnnn3-c3ccccc3)CC2)cnn1-c1ccccc1 23907883 FIOMCGIGXWNZSL-UHFFFAOYSA-N 448.918 2.184 0 40 IEAB CCOC(=O)[C@@H](C)Oc1ccccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 33583631 YEJYPSIOQAHDET-YYTPVVGHSA-N 442.424 2.490 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OC)c([N+](=O)[O-])c3)C2=O)o1 33584800 VVDVROCXEFZYMC-SDQBBNPISA-N 431.357 2.085 0 40 IEAB Cc1ccc(NC(=O)NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)c(C)c1 34887568 NGFXTPXYAUQPTC-UHFFFAOYSA-N 436.559 2.020 0 40 IEAB Cc1ccc(NC(=O)c2sc3nc(CN4CCNC(=O)C4)[nH]c(=O)c3c2C)c(C)c1 36447012 XVUODSZDUOUHNZ-UHFFFAOYSA-N 425.514 2.094 0 40 IEAB O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)NCc1ccccc1F 49544864 LVKYAUZIWODUND-UHFFFAOYSA-N 435.503 2.021 0 40 IEAB C[C@]1(C2CCN(C(=O)Nc3cccc(Cl)c3N3CCOCC3)CC2)NC(=O)NC1=O 72306251 HTHPMRSXZNKWFS-HXUWFJFHSA-N 435.912 2.019 0 40 IEAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)COCCN2CCCC2=O)C1 72352225 KEESMWQITRBLMB-HNNXBMFYSA-N 429.542 2.216 0 40 IEAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NC[C@@H](CCO)c2ccccc2)cc1 79111841 PJUZJRYHEWTZFZ-MRXNPFEDSA-N 430.448 2.423 0 40 IEAB COCCn1c(C(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)cc2cc(Cl)ccc21 96224076 QUSMBHDOKPGIEE-UHFFFAOYSA-N 440.887 2.374 0 40 IEAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 225753186 UNBRWYSSJQTJLE-UHFFFAOYSA-N 443.573 2.470 0 40 IEAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CCN2CCOCC2)C1 257283530 OYSZZEIMELYQBQ-FQEVSTJZSA-N 439.560 2.110 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)c1 408560383 OVIHVIDUTBKJPZ-CQSZACIVSA-N 448.497 2.472 0 40 IEAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3OC)CC2=O)cc1 408650611 BWSKUBTUNCWVMX-CQSZACIVSA-N 428.441 2.247 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2cccc(C)c2)C1 408652647 GKQAKDQYJVMTLL-KRWDZBQOSA-N 439.468 2.069 0 40 IEAB COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1Br 409144552 OKMAQXRXEAZFBH-VZUCSPMQSA-N 430.232 2.122 0 40 IEAB CNc1nc(NCCC(=O)N2CCC[C@H](C)C2)nc(NCCC(=O)N2CCC[C@@H](C)C2)n1 1120855472 LZASKJLTURFXBY-CALCHBBNSA-N 446.600 2.034 0 40 IEAB COc1ccc(F)c(CN2CCO[C@@]3(CO[C@@H](C(=O)N4CCC(C)(OC)CC4)C3)C2)c1 2056226460 RWMSJKHVKGSHHY-NFBKMPQASA-N 436.524 2.222 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)CC1 886620 LQGVKGHTBSFJRO-UHFFFAOYSA-N 445.541 2.491 0 40 IEAB COc1ccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)c(OC)c1 919774 KFTKRSZJCIZDGV-UHFFFAOYSA-N 439.501 2.356 0 40 IEAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1 3537490 QNTDUBVCICJCQD-UHFFFAOYSA-N 448.508 2.485 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc3c2C(=O)N(C)C3=O)cc1 8979473 XSOAIFVBEZWTLU-QGZVFWFLSA-N 427.482 2.013 0 40 IEAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2oc1=O 9449259 ITOIWLWTQXGOFY-HNNXBMFYSA-N 444.509 2.449 0 40 IEAB C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9641061 MGZCDWQBPRHIJR-CYBMUJFWSA-N 431.543 2.173 0 40 IEAB COc1cccc(CCNC(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)c1 9821486 JNGASMXYPKXXOI-UHFFFAOYSA-N 432.480 2.058 0 40 IEAB CCn1cc(C(=O)N2CCC[C@@]3(C2)NC(=O)c2ccccc2O3)c(=O)c2ccc(C)nc21 12183862 XJWMUMOJZSHHMX-XMMPIXPASA-N 432.480 2.480 0 40 IEAB COC(=O)c1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](c4nnc5ccccn45)C3)CC2=O)cc1 12391589 PYIVWGZFDQPETM-MSOLQXFVSA-N 447.495 2.275 0 40 IEAB CCCn1c(CCC(=O)NCc2ccccc2OC)nc2cc(S(N)(=O)=O)ccc21 12506312 AWOWXVZDRJKRGJ-UHFFFAOYSA-N 430.530 2.351 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCN(Cn3ncc4ccccc4c3=O)CC2)cc1 12852438 WDLMJYWRAHEYKJ-UHFFFAOYSA-N 426.542 2.484 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCN(C)C)c2ccc(F)cc2)cc1 13649078 HPTBDEHJLUPWOK-UHFFFAOYSA-N 437.537 2.488 0 40 IEAB Cc1ccc(OCC(=O)NCC(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 15733919 CTIIUPWXNHJODB-UHFFFAOYSA-N 441.509 2.182 0 40 IEAB O=C(CCCN1C(=O)CNC1=O)NC1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 19332747 ZAPMSXDWJWTBKY-UHFFFAOYSA-N 432.952 2.284 0 40 IEAB COc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc1C 19571410 RJSJUKBGEVKMTM-MRXNPFEDSA-N 426.498 2.327 0 40 IEAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 19694075 XTIDPTFIBZOTAL-LJQANCHMSA-N 436.560 2.110 0 40 IEAB COc1ccccc1S(=O)(=O)N1CCCC[C@H]1c1nc2c(c(N(C)C)n1)CN(C)CC2 19710286 VLBOXQZFNPRFGW-SFHVURJKSA-N 445.589 2.455 0 40 IEAB Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2=O)nc2c1CC(=O)N2CCc1ccccc1 19739883 HMIATHUBSMVOIB-HXUWFJFHSA-N 447.539 2.203 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN2c3ccccc3-c3ccccc3S2(=O)=O)CC1 20063000 FKNDTRNOXPZLOF-UHFFFAOYSA-N 429.498 2.163 0 40 IEAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(Cc2ccccc2F)CC1 21472915 KDVIKIIKZHRFCZ-UHFFFAOYSA-N 428.508 2.015 0 40 IEAB COc1ccc(CN2CCN(CC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)cc1F 22798212 MSEAXLMTSMRDRV-UHFFFAOYSA-N 440.519 2.483 0 40 IEAB COc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c(OC)c1 26509187 QVMZWSUEQQRGOB-UHFFFAOYSA-N 431.452 2.360 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCN(c3nc(C)nc4c(C)nn(C)c34)CC2)cc1OC 28559345 IYAZSQYVNUMELM-VQHVLOKHSA-N 436.516 2.359 0 40 IEAB COCCN1C(=O)c2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2C1=O 31810271 WMSVFDYFSJXWQF-VMPITWQZSA-N 433.508 2.400 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3CCc3ccccc3)cc2c1 57643132 MXZAMQAMECJIFV-UHFFFAOYSA-N 432.528 2.450 0 40 IEAB OC1CCN(CCCNc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)CC1 59363456 VXIOGKKVZCYHKO-UHFFFAOYSA-N 431.606 2.271 0 40 IEAB CC1CCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)[C@H]4CCCO4)CC3)n2)CC1 72335960 SIJKENGZMSJZJU-QGZVFWFLSA-N 436.578 2.001 0 40 IEAB COc1ccc(CN(C)Cc2ccc([C@H]3CN(C(C)=O)C[C@@H]3C(N)=O)cc2)cc1OC 72370201 VRFWAPDYIBWYGA-RTWAWAEBSA-N 425.529 2.383 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225303145 ZUFITWBQMQERLY-UHFFFAOYSA-N 431.514 2.390 0 40 IEAB COc1cccc(-c2noc(CN(C)C(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)c1 225426519 IGIUDKPWBIXOEJ-UHFFFAOYSA-N 430.486 2.268 0 40 IEAB O=C(CNC(=O)OCc1ccccc1)NCCN1Cc2cc(Cl)ccc2OCC1=O 225772249 KYSDYAXNUNQYGG-UHFFFAOYSA-N 431.876 2.104 0 40 IEAB OCCCOc1ccc(CN2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 257335325 YJRXSLUCVRRULX-RUZDIDTESA-N 425.573 2.207 0 40 IEAB COc1ccc(CN2CCO[C@@]3(CN(Cc4cnn(C)c4)C[C@H]3c3cccnc3)C2=O)cc1 306125498 CSOACUNZUPNPRK-UKILVPOCSA-N 447.539 2.221 0 40 IEAB Cc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 408622803 RIPNPUAJXZWDIJ-UHFFFAOYSA-N 445.585 2.337 0 40 IEAB O=C1CN(Cc2ccccc2)Cc2c(cccc2C(=O)N2CC(O)C2)OCCCCCN1 643576164 RZXVZEDOEGQKLL-UHFFFAOYSA-N 437.540 2.184 0 40 IEAB Cc1cc2cc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)ccc2n(C)c1=O 1141394508 AMDRKXZJBNDRHP-NQIIRXRSSA-N 437.471 2.129 0 40 IEAB Cc1ccc(CNC(=O)Cn2nc3n(c2=O)C(=O)N(c2ccc(Br)cc2)C3)o1 1547201114 KRSFIAKWUQSUKF-UHFFFAOYSA-N 446.261 2.013 0 40 IEAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3407673 XZMBCHYDSYWRQB-HXUWFJFHSA-N 447.557 2.258 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cccc(C)c3C)CC2)cc1 3530053 TWEUVFCTAJEMAW-UHFFFAOYSA-N 430.526 2.302 0 40 IEAB COc1ccc(-n2nc(C(=O)N3CCOCC3)/c(=N/C(=O)c3cccs3)s2)cc1 8770747 WKFZKGGCBJWSRH-ZZEZOPTASA-N 430.511 2.217 0 40 IEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1C 9127885 NVLLNKDIFQKTQV-UHFFFAOYSA-N 433.436 2.201 0 40 IEAB CCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nnc1-c1cccs1 9128718 DSUVRADSVGSEDH-UHFFFAOYSA-N 448.574 2.100 0 40 IEAB COc1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 9183988 ONWDYBAYUNGUGO-IRXDYDNUSA-N 445.541 2.239 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cnn(-c2ccccc2)n1 9223102 FIGVRMOGMRMIGE-UHFFFAOYSA-N 434.500 2.193 0 40 IEAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(C)c(S(=O)(=O)N3CCOCC3)c1)OCO2 9284615 MRWIGZULQCSSAZ-UHFFFAOYSA-N 446.481 2.200 0 40 IEAB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OC 9981241 UDLHUJWJYTUBDP-SNVBAGLBSA-N 442.877 2.189 0 40 IEAB CCOc1ccccc1CCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 10110985 ZNVYYNHXIUHALW-UHFFFAOYSA-N 434.514 2.329 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@H](c2ccc(C)cc2)n2nnnc2N1 10232334 PRADGVOLJNBAHP-IBGZPJMESA-N 435.440 2.324 0 40 IEAB C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)C)c1ccc(-n2cncn2)cc1 10285974 FMSDGJZXTKUYIV-OAHLLOKOSA-N 428.518 2.078 0 40 IEAB COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 13032574 BCZZXWFBOHNXGD-AWEZNQCLSA-N 434.470 2.103 0 40 IEAB COc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)cc1OC 14246672 WHWDQLVSHLYDST-UHFFFAOYSA-N 434.514 2.427 0 40 IEAB COc1cc(CN(C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1OC(F)F 15351735 RVIZZMFTGKQVGP-UHFFFAOYSA-N 429.445 2.015 0 40 IEAB Cc1cc(=O)nc(-n2nc(C)c(CCC(=O)N3CCN(Cc4ccccc4)CC3)c2C)[nH]1 16849558 QNKYWNKAHRGDRP-UHFFFAOYSA-N 434.544 2.158 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)COC(=O)c2ccccc2NS(C)(=O)=O)c1 19181021 RWNOACOMIAITEU-ZDUSSCGKSA-N 436.486 2.110 0 40 IEAB COc1ccccc1C1(O)CCN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)CC1 19569262 IYZONFARVDWUQB-UHFFFAOYSA-N 440.540 2.416 0 40 IEAB COc1ccc(CC(=O)N2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)cc1 19754366 TTZANCRPIYONTG-UHFFFAOYSA-N 438.528 2.094 0 40 IEAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1nc(-c2ccccc2C)no1 22018106 HAHQLZPRXSEZPZ-UHFFFAOYSA-N 441.440 2.202 0 40 IEAB CCc1ccccc1N(CC(=O)NCc1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O 22329841 DSRBLTPRUIAXCU-UHFFFAOYSA-N 436.530 2.357 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccc(Cl)cc3)CC2)cc1 22732961 RUZHFCNJDIJXND-UHFFFAOYSA-N 437.949 2.085 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)c(C)c1 23135101 GSCIBJMINWGJKM-UHFFFAOYSA-N 448.499 2.064 0 40 IEAB CCN(c1ccc(NC(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1)C(C)C 23673165 UOIXHUMQTUUESY-UHFFFAOYSA-N 430.505 2.268 0 40 IEAB C[C@H](NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2 23751973 RTJONDVBYGFZLI-INIZCTEOSA-N 425.485 2.139 0 40 IEAB Cc1[nH]c2ccccc2c1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 24570245 WIMMNTXWMUGKFG-UHFFFAOYSA-N 427.526 2.356 0 40 IEAB Nc1cc(CCCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)nn1-c1ccccc1 24795380 HAHXCLPFGMMUMS-UHFFFAOYSA-N 443.529 2.195 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)c1 40390383 UNBVIWNQHDZGSZ-JSGCOSHPSA-N 441.488 2.230 0 40 IEAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N[C@@H](c2cc(Br)ccc2F)C1=O 72307064 SSXAMSAJOOGWCS-HNNXBMFYSA-N 438.257 2.170 0 40 IEAB COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O 72392982 LMSRNCGXBVDDCT-SFHVURJKSA-N 449.511 2.084 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H]3CCOC(C)(C)C3)C2=O)cc1OC 85876925 HHICWVJKBOVZDE-IRXDYDNUSA-N 447.532 2.021 0 40 IEAB biogenic CS[C@@H](CO)[C@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 95426679 ITWWBQPHASYBPF-BBRMVZONSA-N 444.600 2.181 0 40 IEAB COc1cccc(C(=O)N2CCC3(CC2)CC2(CCN(C(=O)N(C)C)CC2)C(=O)N3C)c1 96262367 UQLBLLRGHJLDMI-UHFFFAOYSA-N 442.560 2.296 0 40 IEAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96394570 QFEBXDGEOYJMGE-AWEZNQCLSA-N 433.501 2.431 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1[C@H]3Sc2[nH]c(=O)sc2C12CCCCC2 101261932 ULJQFMBPPQGCOO-DHTWFYRLSA-N 434.539 2.064 0 40 IEAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2nnc(SC)s2)S(C)(=O)=O)c1 223490994 GAKCFUAAAALILE-VIFPVBQESA-N 432.549 2.070 0 40 IEAB COC(=O)c1ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 225040969 VYYRZFPGNHXGEO-UHFFFAOYSA-N 426.878 2.394 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(C)(=O)=O 225225129 XRGDVGGGDHVBCM-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB COc1ccccc1N1CCN(S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)CC1 225745858 QXOIATWZOPHAMK-UHFFFAOYSA-N 439.563 2.042 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCC[C@H](c2[nH]ncc2-c2ccncc2)C1 247754585 YSFFHCWQIMRZLS-YRJWVXGYSA-N 433.512 2.209 0 40 IEAB Cc1cc(N2CC[C@](O)(CN(C)C(=O)C3(Cc4ccccc4)CCN(C)CC3)C2)ncn1 257259948 LASVFMMEXBQITR-VWLOTQADSA-N 437.588 2.139 0 40 IEAB COc1ccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1 408625917 UOLVPBYDNJXCLS-ZDUSSCGKSA-N 426.922 2.383 0 40 IEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1 408655230 LTBNYQDETAWMGS-CQSZACIVSA-N 429.860 2.324 0 40 IEAB COC(=O)C[C@@H]1CN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H]2CCOC2)CCO1 559181502 WXHYXOMCLXPNDW-DLBZAZTESA-N 439.516 2.242 0 40 IEAB COC(=O)[C@H]1CCCN1C[C@H]1CC2(CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CO1 585103730 ITZJUDSXRABGNU-NHCUHLMSSA-N 446.544 2.353 0 40 IEAB O=C(N[C@H]1COc2cc(F)c(Br)cc21)N1CCC[C@H](c2nc(O)n[nH]2)C1 1686252974 WTPCSOMJRBNTNF-UFBFGSQYSA-N 426.246 2.435 0 40 IEAB COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)NCc3ccco3)c2cc1OC 4143401 IJSGMUBWBSMVRC-UHFFFAOYSA-N 449.463 2.138 0 40 IEAB COCCCn1c(-c2ccc(Br)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 8439873 BLRPPOKVIVKOHW-UHFFFAOYSA-N 446.305 2.152 0 40 IEAB COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC[C@H](C)C3)c2C)cc1 8755092 ZAJLTVPVBAXTQX-ZDUSSCGKSA-N 427.548 2.166 0 40 IEAB CC(C)c1nc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)nn1-c1ccccc1 8901045 XPHIHIGGIVHRPE-UHFFFAOYSA-N 426.502 2.133 0 40 IEAB COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc(F)c(F)c4)nc32)cc1OC 9739429 BKNVHBWGWFDXNM-UHFFFAOYSA-N 427.367 2.170 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@H]3c3cccs3)CC2)cc1 10277216 GPXTXLXSRSMTHO-IBGZPJMESA-N 449.598 2.427 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cnc(C)cn2)c1 11481039 AVVKKKJVDMDHKF-UHFFFAOYSA-N 440.909 2.264 0 40 IEAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 12681133 ZWZHEKXAKJNYHN-UHFFFAOYSA-N 447.488 2.226 0 40 IEAB Cc1cc(=O)oc2cc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)ccc12 14722592 AGFCQXGIMGLVDT-UHFFFAOYSA-N 441.509 2.290 0 40 IEAB CSc1nc(C(=O)N2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cs1 15070894 TYALEAIILJOJGR-UHFFFAOYSA-N 448.618 2.394 0 40 IEAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(S(C)(=O)=O)cc3)n2)cc1 15674729 UCVPHEXFOUJGJT-APWZRJJASA-N 429.498 2.457 0 40 IEAB biogenic,in-vitro CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCCc4ccccc43)c2)CC1 16022968 YPDAUDGXEQNCGS-UHFFFAOYSA-N 427.526 2.132 0 40 IEAB Cn1ccc(C(=O)N2CCC(O)(Cn3ccc4nc(-c5ccncc5)ccc43)CC2)cc1=O 19290825 KQJVSRDUFZUFDA-UHFFFAOYSA-N 443.507 2.464 0 40 IEAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19333292 NSZQWTOTGHZPIB-OAQYLSRUSA-N 440.519 2.352 0 40 IEAB O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400050 VECCTUFIKRRICO-FQEVSTJZSA-N 447.470 2.480 0 40 IEAB CC[C@@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C1 19499768 CIDHQCRDWBTBFB-CABCVRRESA-N 426.492 2.470 0 40 IEAB COCCOc1cc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)ccc1OC 19593625 XYOWDHNOCMIRDM-UHFFFAOYSA-N 428.533 2.005 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 21233532 XDHOVULHXBNXHM-LLVKDONJSA-N 426.878 2.488 0 40 IEAB Cn1c(=O)c2ccccc2n2c(CN3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)nnc12 21991438 WPVXDTTYXZILIC-QHCPKHFHSA-N 430.468 2.025 0 40 IEAB CN1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccc3c(c2)OCO3)CC1 22798263 PYCVMAXXJHSNNO-SFHVURJKSA-N 437.949 2.336 0 40 IEAB CCCn1c(=O)c2ccc(C(=O)NC3CCCCC3)cc2n2c(SCC(N)=O)nnc12 23126241 JSNZTPLOXJROCJ-UHFFFAOYSA-N 442.545 2.094 0 40 IEAB COc1ccc([C@@H]2CCCN2CCC(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 26908152 BHWMWBNINPGURK-FQEVSTJZSA-N 425.533 2.370 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 32966834 MLMZCFYMFMUHOP-KRWDZBQOSA-N 434.514 2.052 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 33584734 RUSSQDPHBHUGNV-LERPTODRSA-N 442.946 2.412 0 40 IEAB CNC(=O)CN1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)CC1 35392538 OLPLWFJSPWELGY-UHFFFAOYSA-N 425.558 2.267 0 40 IEAB Cc1c(C(=O)NC2CCC(C)CC2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 71889524 HXGILEHTUWMTCJ-UHFFFAOYSA-N 431.562 2.202 0 40 IEAB CCOC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N(CC)C(=O)CN(C)S(C)(=O)=O 89960804 XVEKWQKJTQETBH-OAHLLOKOSA-N 425.334 2.338 0 40 IEAB COC(=O)C1(O)CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)CC1 95455799 USZXXTALSLNDTL-HNNXBMFYSA-N 433.555 2.487 0 40 IEAB Cn1c(N2CCN(C(=O)C[C@H]3NC(=O)c4ccccc4N=C3O)CC2)nc2ccccc21 95474119 AYDYJLAMFRZKFR-GOSISDBHSA-N 432.484 2.012 0 40 IEAB COc1ccc(-c2nnc(NC(=O)CN(c3ccccc3)S(=O)(=O)N(C)C)s2)cc1 223906517 KCKTXJUDAUCKBS-UHFFFAOYSA-N 447.542 2.465 0 40 IEAB Cc1cccc(-c2noc(CN(C)C(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 225849602 LBHHWMBYMXFAJT-UHFFFAOYSA-N 444.513 2.478 0 40 IEAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)NC2CCN(C(=O)C3CC3)CC2)Oc2ccccc21 247468059 DHNJZHYMIYWKGL-XNEMMEGOSA-N 437.540 2.459 0 40 IEAB CC(=O)N[C@H]1CC[C@](CNC(=O)CCc2cn(C)nc2C)(c2ccccc2)CC[C@@H]1O 257254730 KEKMPRPHOGELMD-FIXSFTCYSA-N 426.561 2.155 0 40 IEAB Cc1ccccc1CC(=O)N1C[C@H]2c3nc(=O)c(C(=O)NCc4ccccc4)cn3C[C@H]2C1 306134788 NYFIGBMRMHAFIA-NHCUHLMSSA-N 442.519 2.280 0 40 IEAB Cc1nc(CN2C[C@]3(CCN(C(=O)C4CC4)C3)Oc3ccccc3S2(=O)=O)cs1 306135328 ONRSXICGUBGQFM-HXUWFJFHSA-N 433.555 2.416 0 40 IEAB CSCC[C@H](NC(C)=O)C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575617663 QHRHLRZOZDROIC-DLBZAZTESA-N 432.995 2.286 0 40 IEAB C[C@]1(c2ccc(C(=O)N[C@@H]3CCc4nc(-c5ccccc5)ncc4C3)cc2)NC(=O)NC1=O 673963014 APRKKDXYBIZCIZ-KBMIEXCESA-N 441.491 2.486 0 40 IEAB CCCCn1c(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2C)c(=O)c2c1ncn2Cc1ccco1 8778574 VWAYLIRQNUWTQH-SJLPKXTDSA-N 441.532 2.496 0 40 IEAB Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc(=O)c2c1 8868823 BVVNPMKULDSRKH-UHFFFAOYSA-N 428.466 2.375 0 40 IEAB NC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2 9120454 XJIJEJXKOPLTJS-UHFFFAOYSA-N 433.530 2.051 0 40 IEAB Cn1c(=O)c2c(SCC(=O)NCc3ccccc3)nc(-c3ccccc3)nc2n(C)c1=O 9382377 LDHIRKUOJRJAPG-UHFFFAOYSA-N 447.520 2.103 0 40 IEAB CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)o1 9707609 BSEAOPDOYCCWRG-UHFFFAOYSA-N 440.437 2.046 0 40 IEAB O=C([C@@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)c2ccccc2O1)N1CCOCC1 9779750 TXMDFWDZWONEFO-NRFANRHFSA-N 435.480 2.080 0 40 IEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccs2)cc1)N1CCOCC1 9818276 SCVCQFHFVKXPSZ-QGZVFWFLSA-N 442.584 2.295 0 40 IEAB CCOc1ccc(Br)cc1S(=O)(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 9872264 QMMWLZOHQLRWTO-ZDUSSCGKSA-N 438.365 2.188 0 40 IEAB O=C1CN(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c2ccccc2N1 9961351 RKEKVKUMRFJIJE-UHFFFAOYSA-N 432.465 2.186 0 40 IEAB O=C(CCn1ccc(=O)[nH]c1=O)N1[C@H]2CC[C@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 12085328 JBBIPQIAQHOACL-KMFMINBZSA-N 437.418 2.404 0 40 IEAB O=C(NCCc1ccccn1)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 12526236 IKFGXXMLHSHXAS-UHFFFAOYSA-N 437.481 2.025 0 40 IEAB O=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1nccs1)NC[C@H]1CCCO1 13501969 VBIDEDXYQPVMFR-QGZVFWFLSA-N 448.520 2.325 0 40 IEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 14226893 JIJPRDCUJBZYQD-UHFFFAOYSA-N 447.495 2.158 0 40 IEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nn3cnc4ccccc4c3=O)cc2)C1 14604694 UCGAXQFUWGOAJC-HZPDHXFCSA-N 440.525 2.447 0 40 IEAB COc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2nccn2C)cc1 16473035 NFYPXOQUTQIACU-IBGZPJMESA-N 428.514 2.198 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)CCn3cnc4ccccc43)C2)ncc1C(=O)N1CCOCC1 19757592 CXSUQLHJQQQLIF-GOSISDBHSA-N 448.527 2.013 0 40 IEAB CC(C)C[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)N1CCOCC1 22611710 IYDTUCNEBNWWTR-SFHVURJKSA-N 440.382 2.432 0 40 IEAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 22935314 FILBNSCWTFAOSK-XMMPIXPASA-N 434.584 2.130 0 40 IEAB CNC(=O)CSc1nnc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)s1 23141704 ZRJZRZKNZXJQNU-UHFFFAOYSA-N 445.492 2.357 0 40 IEAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 27773894 HDPJTYBQQBGAFZ-CYBMUJFWSA-N 425.459 2.297 0 40 IEAB Cc1cc(NC(=O)COc2ccc(F)cc2Br)n([C@H]2CCS(=O)(=O)C2)n1 29373266 AVAROFUGKYCIFK-LBPRGKRZSA-N 446.298 2.470 0 40 IEAB COc1ccc(CN(C)C(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OC 30862500 FDLAFXIHQPPXLK-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB COc1cccc(CCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 30863237 OGTYWHNDJSRENY-UHFFFAOYSA-N 432.542 2.220 0 40 IEAB CCN1CCc2nc(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)sc2C1 32784267 COMZSOAOPRXNDQ-UHFFFAOYSA-N 425.514 2.409 0 40 IEAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(Cc3ccncc3)CC2)c2ccc(F)cc21 36354601 ABDRGHRKYLTQFE-OAQYLSRUSA-N 426.448 2.204 0 40 IEAB C[C@@H]1CCc2c(sc3nc(CCN4CCC([C@]5(C)NC(=O)NC5=O)CC4)nc(N)c23)C1 72308908 KFDAYEYHOXTIAP-IPQOISQHSA-N 442.589 2.251 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1C)CC2 79493722 NPVLBFNUGKOXBE-KRWDZBQOSA-N 433.530 2.075 0 40 IEAB CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O 84072171 UEQKFTWDMFMIKI-YJBOKZPZSA-N 446.479 2.044 0 40 IEAB O=C(Oc1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 84392545 OQCIILSPRPDTNR-UHFFFAOYSA-N 428.455 2.139 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(I)cc1 222369876 ZICDEKHPZFJWES-ATZWAVOESA-N 448.260 2.283 0 40 IEAB Cc1cccc(C)c1N(Cc1ccc(C(=O)NCCN2CCOCC2)cc1)S(C)(=O)=O 222385448 MVLGXWBYGWYKJU-UHFFFAOYSA-N 445.585 2.332 0 40 IEAB O=C1CCCN1CCOc1cccc(C(=O)N2C[C@H](O)[C@H](Cc3cn4cccc4cn3)C2)c1 257332437 XXILERQNFKTILO-XXBNENTESA-N 448.523 2.011 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 408587081 BFYMZXBGFKTHHD-MRXNPFEDSA-N 435.521 2.158 0 40 IEAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 409022254 LBQQPFHUPJYXIO-XDHOZWIPSA-N 437.452 2.468 0 40 IEAB COC(=O)CC1CCN(C(=O)[C@H](CCSC)n2c(O)nc3ccccc3c2=O)CC1 524734965 VESOUHUCQWTDML-KRWDZBQOSA-N 433.530 2.198 0 40 IEAB O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 543036798 KDMLXVMIPYVNSZ-SGTLLEGYSA-N 436.394 2.391 0 40 IEAB O=C(Nc1ccc(-n2ccc(O)n2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 1149658502 YJJMGJXHWGQEGW-UHFFFAOYSA-N 426.498 2.061 0 40 IEAB Cc1cc(N2CCC[C@](O)(CNC(=O)Cn3c(CC(C)C)nc4ccccc43)C2)ncn1 2037880042 QCBBZIIUPNCEJF-DEOSSOPVSA-N 436.560 2.481 0 40 IEAB COc1ccc(O)c([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c1 1072007 UEGQDGLWFFLESP-VWXURSGXSA-N 430.844 2.348 0 40 IEAB COC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](c1c(O)cc(O)cc1O)P(=O)(OC)OC 1626671 DPXHLJYLCMEQPX-DLBZAZTESA-N 439.357 2.302 0 40 IEAB COC(=O)[C@H]1Cc2cc(OC)c(OC)cc2[C@H](c2ccc(OC)c(OC)c2)[C@H]1C(N)=O 4777840 OTESDCAELZGMGO-JHVJFLLYSA-N 429.469 2.300 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)c2ccc(F)c(F)c2)cc1 8825710 ODFGGQRVBDLACC-LLVKDONJSA-N 440.424 2.016 0 40 IEAB COC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 9302617 JOTBQNZRZAUSBB-CYBMUJFWSA-N 433.486 2.459 0 40 IEAB biogenic,in-vitro COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2n[nH]c(N)n2)cc1 9960351 RJSVIUBALZINFW-UHFFFAOYSA-N 426.502 2.099 0 40 IEAB O=C1NC(=O)[C@@H](CCC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)N1 12854227 QFTMKAWONPJAGT-LJQANCHMSA-N 442.466 2.187 0 40 IEAB O=C(NCCCCCc1nc(-c2cccs2)no1)C1=CN2CCS(=O)(=O)N=C2C=C1 12912338 RNSWBNFDAGQBRP-UHFFFAOYSA-N 447.542 2.125 0 40 IEAB CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C/c1c(C)nn(C)c1C 14240750 KBTVABPRJFGYDB-CMDGGOBGSA-N 425.489 2.353 0 40 IEAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc(OC)ccc3OC)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 16034864 OINMICZTAIPUQP-BQJUDKOJSA-N 449.463 2.146 0 40 IEAB CCOC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)sc(C(=O)OCCOC)c1C 16443401 PGTNKDQAMFWQBI-BETUJISGSA-N 442.534 2.084 0 40 IEAB Cc1cc(S(=O)(=O)N2C[C@@H](c3ccnc(N4CCCC4)n3)[C@H](CN(C)C)C2)ccc1F 19570793 JUMFOZNBOXCMJU-IEBWSBKVSA-N 447.580 2.490 0 40 IEAB Cc1nc(C2CCN(C(=O)CC[C@H]3CCC(=O)N3)CC2)nc2c1CCC(=O)N2CC(C)C 19739329 MENUCIUAOXBXAH-GOSISDBHSA-N 441.576 2.485 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2 19739777 YMQOXEGDMXNMMN-FQEVSTJZSA-N 435.528 2.107 0 40 IEAB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2)Nc1cccc(F)c1 22909161 VTNGKIBZNNMHAY-UHFFFAOYSA-N 446.548 2.324 0 40 IEAB COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCOCC2)cc1 23107381 HKYKXUWONFEVNA-HXUWFJFHSA-N 431.920 2.155 0 40 IEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 28632055 FAMNZFYIOABJTD-UHFFFAOYSA-N 439.496 2.443 0 40 IEAB Cc1nn(C)c2ncc(NC(=O)c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)cc12 32899784 JVBOENDDPUURNT-ZIAGYGMSSA-N 443.529 2.327 0 40 IEAB COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CN4CCC3CC4)cc2)cc1 32925933 QOUFVUOYRHCJST-NRFANRHFSA-N 445.541 2.085 0 40 IEAB CSCC[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)N=c1[nH]c2ccccc2[nH]1 36596902 UREICCCUUVWLGW-CRAIPNDOSA-N 426.498 2.001 0 40 IEAB CCOC(=O)C(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1 36666242 PUAJJEAZXYVAIP-IBGZPJMESA-N 443.475 2.097 0 40 IEAB COc1ccc(C(=O)NCCCCN2C[C@@H](C)C[C@H](C)C2)cc1S(=O)(=O)N(C)C 40108505 CUDCYLZOOXDZIK-IRXDYDNUSA-N 425.595 2.433 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(CC(F)(F)F)CC3)CC2)s1 40115141 VIMAHSVAJINNLK-UHFFFAOYSA-N 439.525 2.164 0 40 IEAB Cc1cc(C(=O)N2CCN(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)CC2)c(C)o1 40152287 JQKFZKVKCNLNOZ-UHFFFAOYSA-N 440.500 2.359 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(CC(=O)N2CCC(O)CC2)cc1 44036945 KUAXSLXHMJPZMI-UHFFFAOYSA-N 430.526 2.015 0 40 IEAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 48375008 MAZZTAQCXDNMGU-CXAGYDPISA-N 432.468 2.192 0 40 IEAB O=C(NCc1cccnc1OC1CCCC1)c1nc2n(n1)-c1ccccc1S(=O)(=O)N2 69510831 GMCACKVDBDRQOC-UHFFFAOYSA-N 440.485 2.028 0 40 IEAB Cc1ccc(CCNC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)cc1 72326386 OLYDEYVINHMMBD-OSPHWJPCSA-N 435.528 2.002 0 40 IEAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)CCCN1C(=O)CNC1=O 72370382 GPKNXIGUNVPQCE-CQSZACIVSA-N 442.541 2.126 0 40 IEAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)[C@H]3COCC(=O)N3Cc3ccccc3)nc21 77197627 NZEFXEDYCJYORW-HUUCEWRRSA-N 429.498 2.102 0 40 IEAB C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCN(CC(=O)N2CCCCC2)CC1 95946691 NGWNMMCMNTVQCL-INIZCTEOSA-N 437.382 2.406 0 40 IEAB CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC[C@@H]2CC(=O)c2ccccc2)cc1 95965473 HCWHSPAPBDRNCZ-GOSISDBHSA-N 425.514 2.303 0 40 IEAB COC1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3c(F)cccc3F)cc2)CC1 96104474 ZGKUIFGRPZIHLH-UHFFFAOYSA-N 439.484 2.497 0 40 IEAB COc1ccc(CCN2C[C@H]3CCN(C(=O)c4cccnc4)CC[C@H]3S2(=O)=O)cc1 96145510 DTNMSUOQCMAKLK-TZIWHRDSSA-N 429.542 2.199 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1 96221742 YDIYGMJCDIVPSM-NRFANRHFSA-N 434.496 2.388 0 40 IEAB biogenic COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O 113941136 UDHGJDUUWVDTPD-LLVKDONJSA-N 425.894 2.241 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 138668971 LCCRRIUNPGXZRY-AWEZNQCLSA-N 428.441 2.247 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3ncn[nH]3)C2)c(C)c1 222564063 XVVJURWWVBKAJF-MRXNPFEDSA-N 437.591 2.039 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222951705 XWYGUTXRTWMJNT-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(C)c1C 225849321 MNSDIRPSVMZPHS-UHFFFAOYSA-N 438.571 2.316 0 40 IEAB O=C(NCCCO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408593006 LOBAEJCCUJSFTH-MRXNPFEDSA-N 431.341 2.382 0 40 IEAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2)CC1 408609439 SYVDBYNLKPBOCE-UHFFFAOYSA-N 433.530 2.039 0 40 IEAB Cc1nc(C)n(C[C@H]2CCCN(S(=O)(=O)[C@H]3CCCN(C(=O)c4ccccc4)C3)C2)n1 542793042 QJNNUFUIJPUYHN-FPOVZHCZSA-N 445.589 2.242 0 40 IEAB CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccccc3OCc3nonc3C)CCN2C)c1 1848352784 NSLWJRYLBMOAAP-OAQYLSRUSA-N 449.511 2.446 0 40 IEAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(n2cc(C(C)(C)C)nn2)C3)cc1C(N)=O 1888888036 MGSBNENXUFRVSN-KBPBESRZSA-N 447.561 2.240 0 40 IEAB CCn1cc(S(=O)(=O)N2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)nc1C 1888921664 PVTPHJOEJLCMRU-OALUTQOASA-N 438.557 2.425 0 40 IEAB CCn1c(SCc2nc3c4cn[nH]c4ncn3n2)nnc1-c1cc(C(F)(F)F)nn1C 2803815 GKDMLAXXTIGEKW-UHFFFAOYSA-N 449.426 2.324 0 40 IEAB COc1cccc(CNC(=O)C(=O)NC[C@H](c2ccco2)S(=O)(=O)c2ccccc2)c1 8601539 KOXPXNXCFALYGE-HXUWFJFHSA-N 442.493 2.236 0 40 IEAB CC(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 10382178 WJJUBAQZTKMKMS-UHFFFAOYSA-N 432.531 2.164 0 40 IEAB Cc1nc(S[C@H](C)C(=O)NC2CCCCC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525636 UAJZWBNMVIYBFD-CYBMUJFWSA-N 433.578 2.384 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2)C1 12793164 MCBSXYSHSIAEJL-MRXNPFEDSA-N 440.525 2.456 0 40 IEAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)COC(=O)C1=NNC(=O)CC1 13112171 WPMSSNHPKHAAMW-UHFFFAOYSA-N 429.454 2.340 0 40 IEAB Cc1ccc(NC(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccccc2)cc1 17042223 NGIDWODAPVALLE-UHFFFAOYSA-N 448.508 2.274 0 40 IEAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CC3CCCCC3)[nH]c2=O)C1 19572866 LQZHBRDTSGAUIL-SFHVURJKSA-N 436.578 2.112 0 40 IEAB CN(CCC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(O)n2)CC1)Cc1cccnc1 19585706 YXZSKIDJXJMHBU-UHFFFAOYSA-N 449.559 2.420 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)CCC3=NNC(=O)CC3)C2)ncc1C(=O)Nc1ccccc1 19766058 ZEXYAVDAEXPMMK-MRXNPFEDSA-N 434.500 2.399 0 40 IEAB O=C(NCCCNC(=O)c1nc2ccccc2c(=O)[nH]1)c1ccc(Br)cc1 22470819 LTXDKMORDWPPQL-UHFFFAOYSA-N 429.274 2.236 0 40 IEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)C1=O 23227383 ZBIVTXVKWOHONN-HXUWFJFHSA-N 428.470 2.240 0 40 IEAB Cc1ccc(-c2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)n2C)cc1 23819130 MZXWHAINCGZXQX-UHFFFAOYSA-N 427.530 2.071 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 24986082 DBLQEZRVDMPMOD-UHFFFAOYSA-N 446.525 2.356 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@H](C)C(=O)O)c(OC)c3)C2=O)o1 34721397 PIXGUYLEAFJEIF-ZEVOCZHWSA-N 444.396 2.020 0 40 IEAB O=C([C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CCCC1 35388294 NCSHHQQOGZFUAU-OAQYLSRUSA-N 431.533 2.496 0 40 IEAB O=C([C@H]1CSCN1S(=O)(=O)c1cccc(Br)c1)N1CCSCC1 62582535 AIKPSGDBFNBIGU-CYBMUJFWSA-N 437.406 2.088 0 40 IEAB C[C@H]1CN(c2ccc(NC(=O)N3CCC(C(=O)NCCCO)CC3)cc2F)C[C@H](C)O1 72318893 QCQKRRVVDPFATK-HOTGVXAUSA-N 436.528 2.182 0 40 IEAB CCOc1cc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)ccc1OC 72347304 OOGPAKPOPFQHPJ-HZPDHXFCSA-N 428.533 2.349 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3nnc(-c4ccsc4)o3)C2)ccc1OC 72390535 KMMQOUYJMOPACO-ZDUSSCGKSA-N 448.526 2.345 0 40 IEAB CN1CCN(C[C@H](O)CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 95406733 DAGSOGKRZSKFGE-HSZRJFAPSA-N 447.583 2.279 0 40 IEAB O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ncc(Cl)cc1Cl 102128883 PSFRJMDWHKLIGA-TXEJJXNPSA-N 426.256 2.211 0 40 IEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222909851 OLIBFAWFJYCTAA-LJQANCHMSA-N 445.585 2.439 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223094870 VSBRCQSUVVBJIW-OAQYLSRUSA-N 445.585 2.477 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225223195 HHQBOESVFRXOHG-GOSISDBHSA-N 431.558 2.233 0 40 IEAB Cc1ccc(NC(=O)C(=O)NCC2CCN(C3CCOCC3)CC2)cc1N1CCCC1=O 225565836 CTXQWYCIYRFBTK-UHFFFAOYSA-N 442.560 2.068 0 40 IEAB O=C1CN(C2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)C(=O)N1c1ccccc1 225822447 VSNQSAJVCSAUQJ-UHFFFAOYSA-N 441.509 2.243 0 40 IEAB CCOc1cc(/C=c2\sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccccc1C 256055779 STVMWWAWNCBJHA-ODLFYWEKSA-N 436.493 2.423 0 40 IEAB CNc1nc([C@H]2CCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1CN(C(C)=O)CC2 257309535 UBHNRVNVRXWSLP-HNNXBMFYSA-N 447.536 2.049 0 40 IEAB O=S(=O)(CCCc1ccccc1)N1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 257339615 ZCMWZCJVZONGGW-IBGZPJMESA-N 440.529 2.346 0 40 IEAB Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c1 408656648 NSZVDNATNXJPCI-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC 408710147 QDMWLJVHTLIBMK-SFHVURJKSA-N 438.528 2.164 0 40 IEAB CCn1cc(S(=O)(=O)N2CC[C@H]3NC(=O)c4ccccc4OCCC=CC[C@H]3C2)cn1 2037843794 JSKHGKNVDAPUME-FXAWDEMLSA-N 444.557 2.441 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)N(C)C 3344773 WGYYMJYMPHFQOW-CVEARBPZSA-N 443.566 2.238 0 40 IEAB COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1cc(OC)c(OC)c(OC)c1 4111136 JVEUALCTMDNWAB-OAHLLOKOSA-N 447.484 2.404 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(C(=O)O)cc1 8718248 GCCISGKYBFVSHL-INIZCTEOSA-N 440.518 2.240 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)N3Cc4ccccc4C[C@@H]3C(N)=O)cc2)CC1 9217129 TTYDLSJIAOYOAN-OAQYLSRUSA-N 441.553 2.160 0 40 IEAB CS(=O)(=O)c1ccc(CC(=O)Nc2nnc(Cc3ccc4c(c3)OCCO4)o2)cc1 9813412 HRFLRULQBPOZJY-UHFFFAOYSA-N 429.454 2.016 0 40 IEAB NC(=O)c1ccc(-c2nnn(CC(=O)Nc3ccccc3C(=O)Nc3ccccc3)n2)cc1 9951183 NLHYZDDLMLMTTB-UHFFFAOYSA-N 441.451 2.330 0 40 IEAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)s1 10678476 SGRCJUVVXGHVNO-UHFFFAOYSA-N 428.479 2.496 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2ccc(NC(=O)c3ccccc3)nn2)CC1 11737812 GSRTXXHMMVFMBH-UHFFFAOYSA-N 429.502 2.122 0 40 IEAB C[C@@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)[C@@H]1C 13149831 KRSGTYDLNNZOCC-INMHGKMJSA-N 428.489 2.363 0 40 IEAB CC(C)Cc1cnc2c(c1SCC(=O)NCc1ccc(F)cc1)c(=O)n(C)c(=O)n2C 15883691 LFEOZZDMETVUFD-UHFFFAOYSA-N 444.532 2.378 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1C 17192629 FUXSGHZUQUGRER-CYBMUJFWSA-N 448.497 2.168 0 40 IEAB CCOC(=O)N1CCC(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)CC1 20167831 VWOSREAAIVLQMS-UHFFFAOYSA-N 431.445 2.324 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C1 32841559 CHSKNHSOZTZNKP-ZDUSSCGKSA-N 427.427 2.494 0 40 IEAB CC[C@H](C)[C@H](NC(=O)c1csc(-c2ccsc2)n1)C(=O)NCCN1CCOCC1 32925720 CFRXXGJIYVFGRL-YOEHRIQHSA-N 436.603 2.465 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1ccccc1OC 37866380 SAFPDBRESLLUKB-IBGZPJMESA-N 433.464 2.476 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1cc(F)ccc1F 65237473 GJWUQUTYGZYFFJ-UHFFFAOYSA-N 425.457 2.330 0 40 IEAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(c4ccc(F)cc4)CC3)nc2N)cc1 71772063 TZMLZBWYQWLWEU-UHFFFAOYSA-N 443.504 2.366 0 40 IEAB Cn1c(CN2CCC([C@H]3CCCCCN3C(=O)c3ccccc3)CC2)cc(=O)n(C)c1=O 71889321 KUCXQJYZKZRQIW-JOCHJYFZSA-N 438.572 2.381 0 40 IEAB CCCCN1CCC(NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)CC1 89954718 ZKHKFHLVAPMKFO-UHFFFAOYSA-N 447.623 2.390 0 40 IEAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(OC)c1 95464080 LJZPJIRZLHOQEW-SFHVURJKSA-N 448.497 2.090 0 40 IEAB Cc1nnc(N2C[C@@H]3CN(C(=O)NC4CCCC4)CCC[C@]3(C(=O)NCC3CC3)C2)o1 96251454 TYNBPYPFOCPDHA-JTSKRJEESA-N 430.553 2.075 0 40 IEAB COC(CN(CCCO)S(=O)(=O)Cc1ccc(Cl)cc1Br)OC 97163886 XKRFZRONXMOWAI-UHFFFAOYSA-N 430.748 2.236 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]21O3 100430907 YQLYQETVFQLIKY-LAMKJYLKSA-N 443.588 2.443 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cnn(C[C@H]3COc4ccccc4O3)c2)cc1 207999250 MCHKPNUXLMNMGX-KRWDZBQOSA-N 442.497 2.226 0 40 IEAB Cc1ccc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1C 224026231 BDNKRNHDRPBCLO-UHFFFAOYSA-N 432.542 2.442 0 40 IEAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225049723 OSASOASPUOGBKW-IBGZPJMESA-N 445.585 2.439 0 40 IEAB Cc1nc2cc([C@H]3CCN(C(=O)c4cnsc4)C3)nn2c(O)c1CCC(=O)NC(C)C 257237759 HIBASAIFMUWEAK-AWEZNQCLSA-N 442.545 2.287 0 40 IEAB CS(=O)(=O)N1CCC[C@@H](c2nc(C(=O)NCCOc3ccccc3)c3ccccn23)C1 306143399 YBJCQDQIFIZLQU-QGZVFWFLSA-N 442.541 2.282 0 40 IEAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)CC2=O)c(OC)c1 408657314 JJFANOLSGWBVQX-MRXNPFEDSA-N 440.452 2.441 0 40 IEAB O=C(O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)nc3)cc2)C1 536414606 PUHPQVOKNZBVHI-JTQLQIEISA-N 429.376 2.339 0 40 IEAB O=S1(=O)CCCN1[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 562417677 CQTYNVPYUCKIAT-GOSISDBHSA-N 432.567 2.446 0 40 IEAB O=C(CNC(=O)c1cccc(F)c1)OCc1cc(=O)n2cc(Br)ccc2n1 3285234 ISTYCRNVMYLXDK-UHFFFAOYSA-N 434.221 2.069 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 8703965 VLHXIZCGRVIJSE-UHFFFAOYSA-N 438.465 2.107 0 40 IEAB O=C(Cn1cc(Br)ccc1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8985148 GJGGVQNUOAONGY-UHFFFAOYSA-N 440.319 2.034 0 40 IEAB O=C(Cn1c([C@H]2CC(=O)N(CCc3ccccc3)C2)nc2ccccc21)N1CCOCC1 9002103 KFKCDOKETNINOD-FQEVSTJZSA-N 432.524 2.454 0 40 IEAB CCn1c(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)nnc1-c1ccco1 9056524 QSUHPOQFNAAXSN-UHFFFAOYSA-N 432.506 2.182 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)CCC(=O)c3ccccc3)CC2)cc1 9984845 GHDRJJSDKOHPJU-UHFFFAOYSA-N 443.525 2.174 0 40 IEAB O=C(CSc1ncnc2c1nnn2Cc1ccccc1)NCc1ccc2c(c1)OCO2 11758451 CPAVALAWOGPRFL-UHFFFAOYSA-N 434.481 2.407 0 40 IEAB COCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2ccccc2C)n(C)c1=O 12232050 ZDPHWFQLCKHGBU-UHFFFAOYSA-N 436.516 2.011 0 40 IEAB C[C@H]1CN(C(=O)COC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C[C@@H](C)O1 12591384 APFVPAAJDBCMHG-OKILXGFUSA-N 438.527 2.342 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NC12CC3CC(CC(C3)C1)C2 12748162 LJSLAFVKSBFSHC-UHFFFAOYSA-N 435.565 2.217 0 40 IEAB C[C@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccc(Br)cc1 12793264 RAUOFZZVRMQHMV-LBPRGKRZSA-N 430.310 2.376 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3OC)CC2)N[C@H]1c1ccccc1 17100284 JDOHYXNJOJZTRX-SFTDATJTSA-N 436.512 2.224 0 40 IEAB O=C1O[C@H]([C@@H]2OC(=O)C(=O)[C@@H]2[C@@H]2CCCCCCC2=O)[C@H]([C@@H]2CCCCCCC2=O)C1=O 17142961 IJJBNKXNBQBVMB-SVYFQEIBSA-N 446.496 2.287 0 40 IEAB CN1CCN(c2nccc(CN3CCC4(CC3)Nc3ccccc3C3=NCCCN34)n2)CC1 19590150 QLJHUWDPZUPKFC-UHFFFAOYSA-N 446.603 2.099 0 40 IEAB O=S(=O)(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1ccc2c(c1)OCCO2 19819974 ZKTCUSKABBJXQS-SFHVURJKSA-N 438.933 2.463 0 40 IEAB C[C@@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)Nc1sccc1C(N)=O 21605243 BJRJADXZTNJJHS-LLVKDONJSA-N 432.527 2.059 0 40 IEAB CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 30756788 NGCJOJOJXSWEFA-UHFFFAOYSA-N 434.514 2.045 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cn(C)c2ccccc12 35325865 YMQVRFSDOVVTQR-UHFFFAOYSA-N 442.541 2.375 0 40 IEAB CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)s1 36021669 HLCPBDOGERPHKY-UHFFFAOYSA-N 443.982 2.332 0 40 IEAB COc1cccc([C@H]2C(C(=O)OCC(C)C)=C(C)Nc3c2c(=O)n(C)c(=O)n3C)c1OC 39888796 ZTWQJIBCPTYIMD-KRWDZBQOSA-N 443.500 2.132 0 40 IEAB CCNC(=O)c1nsc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1N 62006771 HTBYNLLOSQXSHK-UHFFFAOYSA-N 427.452 2.456 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(OC(F)(F)F)cc2)c1 95389908 HOWUOKWQRYRKIH-OAHLLOKOSA-N 446.403 2.439 0 40 IEAB COc1ccc(NC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)NC(C)C)CC3)O2)cc1 96263238 VPSIBRASVVOJBW-GOSISDBHSA-N 427.505 2.338 0 40 IEAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C[C@H]2CCCO2)cc1Cl 96347331 GQHIGFFBTDCNPJ-CYBMUJFWSA-N 443.891 2.194 0 40 IEAB Nc1c(N(C[C@H]2CCCO2)C(=O)/C=C\c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 96579119 MLLOZZALSHZHRI-CLEWGBKMSA-N 446.507 2.393 0 40 IEAB O=C1CCCN1CCCC(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CCCC4)C1 100138578 ZTOXCHFYQSQNFS-INIZCTEOSA-N 425.533 2.422 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2c(OC)cccc2OC)cc1C 226060039 SNHWIWSJYALASD-UHFFFAOYSA-N 436.530 2.348 0 40 IEAB CC(=O)N1CC(=O)N2CC[C@@H](CC(=O)NC3CC3)[C@@H](/C=C\COc3ccccc3C1)C2 253402229 OBKFFSQLJVMVPG-WDSNSIQLSA-N 425.529 2.117 0 40 IEAB COc1cccc(N([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 260826416 ABBUFNJFTINEGG-LSDHHAIUSA-N 434.514 2.498 0 40 IEAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2)c1 612149980 MZGIZQSHIQWRIY-SFHVURJKSA-N 435.528 2.126 0 40 IEAB Cc1cc(O)nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)cc12 1167383869 GDHBGNDZPYLUKJ-ZACQAIPSSA-N 445.541 2.297 0 40 IEAB CCn1cc(S(=O)(=O)N2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)nc1C 1888921665 PVTPHJOEJLCMRU-RTBURBONSA-N 438.557 2.425 0 40 IEAB C/C(Cl)=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 655191 QYYMOWWENZIDEF-LLBKUYECSA-N 436.921 2.098 0 40 IEAB Cn1c(=O)c2ncn(CC(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)c2n(C)c1=O 679450 BDPTZSKTCQLTHH-UHFFFAOYSA-N 446.492 2.349 0 40 IEAB CCn1cc(NC(=O)Cn2nc(C(F)(F)F)c(Br)c2C2CC2)c(C(N)=O)n1 2778504 JCPADVLUSLJNFT-UHFFFAOYSA-N 449.231 2.496 0 40 IEAB COCCN1C(=S)N[C@@H](c2ccccc2OC(F)F)C(C(=O)N2CCOCC2)=C1C 3279691 SHTZLPKXWLNYQJ-KRWDZBQOSA-N 441.500 2.298 0 40 IEAB CC(C)(C)c1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 8298833 MIXPHDZKQNEHJJ-KURKYZTESA-N 425.533 2.331 0 40 IEAB biogenic,in-vitro COc1cc(N2C[C@@H](CNS(=O)(=O)c3ccc(F)cc3)OC2=O)cc(OC)c1OC 8838701 MWGOOQSRAWLMQE-CQSZACIVSA-N 440.449 2.155 0 40 IEAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1cccc(Cl)c1 8990817 MBKSVHHWVWQGEJ-OAHLLOKOSA-N 435.933 2.496 0 40 IEAB C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(-n2ccnc2)cc1 9378133 GLFGCYACNIWWKU-SFHVURJKSA-N 429.480 2.121 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1 9661980 DIOKRFBXDZEMNS-KRWDZBQOSA-N 434.514 2.232 0 40 IEAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccccc1OC 9969299 PUZRSAUOIMKQIC-LJQANCHMSA-N 448.472 2.479 0 40 IEAB CC1CCN(CCCNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1 10540546 TXQDCELXLXYXDH-UHFFFAOYSA-N 446.411 2.453 0 40 IEAB CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031038 XRPDKRHZZHZZMJ-MRXNPFEDSA-N 425.503 2.059 0 40 IEAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 12089415 PSHRASGOXMGDPS-IBGZPJMESA-N 431.562 2.300 0 40 IEAB CCn1c(CCC(=O)NC2CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12579839 BKJLBDMHSXHFNX-UHFFFAOYSA-N 448.589 2.459 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1OC 12902337 MBXPGMWTDRATGM-MRXNPFEDSA-N 432.498 2.352 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCC(=O)NCc2ccc3c(c2)OCO3)cc1 12943127 JUTBYWDBYORLAW-INIZCTEOSA-N 447.557 2.413 0 40 IEAB C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccc2c(c1)OCO2 12977567 VHBTWLQMEIYDHA-HNNXBMFYSA-N 432.473 2.095 0 40 IEAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCN(Cc4ccccc4)CC3)c2)C1=O 15858604 QUBWDJRNAODZEV-UHFFFAOYSA-N 441.553 2.347 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 18113311 LZWBPGAFQUBDGB-HNNXBMFYSA-N 442.468 2.153 0 40 IEAB CCN(CC)C(=O)CN1CCO[C@H](c2nc(N(C)C)ncc2-c2ccc(OC)cc2)C1 19694909 LUQVANKOALXOIX-FQEVSTJZSA-N 427.549 2.460 0 40 IEAB CNc1nc([C@@H]2CCCN2S(=O)(=O)c2cc(F)ccc2OC)nc2c1CN(C)CC2 19710876 JQJWVIBTHPCACU-INIZCTEOSA-N 435.525 2.180 0 40 IEAB O=S1(=O)C[C@H](NCCc2c[nH]c3ccccc23)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 19797077 DYPADWACCKNIEC-PMACEKPBSA-N 436.530 2.079 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1NCCCc1ccccc1 19821064 OIRMZXYQVMFERF-RXVVDRJESA-N 437.583 2.165 0 40 IEAB CCCOC(=O)c1ccc(OC[C@@H](O)CN2CCN(C(=O)c3ccccc3)CC2)cc1 19913343 JIZZMPKMGFYVDE-NRFANRHFSA-N 426.513 2.451 0 40 IEAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)cc1 22610137 RMPXLPYCOCXPJZ-MRXNPFEDSA-N 425.489 2.469 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cnc3ccccc3c2=O)c1 22876425 AWIIVELYVRUCPO-UHFFFAOYSA-N 444.513 2.074 0 40 IEAB Cc1cc(NC(=O)CCCC[C@@H]2[C@H]3NC(=O)N[C@@H]3CS2(=O)=O)ccc1Br 25048113 LGSUBTUZYJELNI-FMKPAKJESA-N 444.351 2.103 0 40 IEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1ccc(C)cc1 25355950 JROUVKDMBPMGSF-UHFFFAOYSA-N 444.484 2.370 0 40 IEAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)Nc2cc(C)on2)c1=O 67205400 ZBUAXSHUPNCKBM-UHFFFAOYSA-N 426.454 2.217 0 40 IEAB COc1cccc2c1OCC(C(=O)N1C[C@H]3CCc4c(nc(N5CCCC5)[nH]c4=O)[C@H]3C1)=C2 72336097 CMNXDKPYOLWYPC-APWZRJJASA-N 448.523 2.343 0 40 IEAB Cc1nn(C[C@@H](C)C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1C 72338888 SHCJSRAVPFONIN-SZNDQCEHSA-N 445.589 2.413 0 40 IEAB CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CSc2cccnn2)c(=O)[nH]c1=O 95469126 LFWSVUFSEPSKEU-UHFFFAOYSA-N 440.529 2.034 0 40 IEAB CCCC(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C2CCOCC2)CC4)C1 100233606 OHZLPRUHBSUSON-MRXNPFEDSA-N 427.549 2.478 0 40 IEAB COc1cccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5c(OC)cccc5[C@@H]4[C@@H]3C2=O)c1 107170411 UNZYQERRJYJOOV-RVKKMQEKSA-N 438.461 2.182 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219442047 ITRUZYBFHLASLN-OAHLLOKOSA-N 432.498 2.204 0 40 IEAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC)cc1 222868392 ASVICLXVOWQGQH-INIZCTEOSA-N 449.548 2.220 0 40 IEAB O=S(=O)(Cc1ccc(F)cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224311084 ODGXYSWWHDFFJG-UHFFFAOYSA-N 442.534 2.109 0 40 IEAB O=C(c1cccc(-n2cccn2)c1)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225761605 ZCKPJMRIXFQFBT-UHFFFAOYSA-N 433.443 2.492 0 40 IEAB O=C(NCc1ccc(-c2cccnc2)nc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225764579 WXJPROIJEBKWCP-UHFFFAOYSA-N 438.509 2.095 0 40 IEAB CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](O)[C@@](O)(CN2CCC(c3ccccc3)CC2)[C@H](O)C1 257334414 YFTSLZBFPNGHBX-ZSALWYTGSA-N 434.577 2.348 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408664418 QMLLJKKQBVONFW-WPEKQRQUSA-N 432.860 2.026 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1 679874550 QTMZIRIWSVLSCT-MRXNPFEDSA-N 444.479 2.471 0 40 IEAB CN([C@@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)C1)S(=O)(=O)Cc1ccccc1 1888913760 DQBNCCILFHKXHA-CQSZACIVSA-N 440.451 2.184 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5ccc(C)cc5C)C[C@@H]4C3)nn12 1888930587 KMKIBZVRYBONRJ-IRXDYDNUSA-N 426.546 2.060 0 40 IEAB C[C@H](OC(=O)CNC(=O)c1ccc(Br)o1)C(=O)N1CCc2ccccc2C1 2664445 RZKCDQMYQAMSNE-LBPRGKRZSA-N 435.274 2.289 0 40 IEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O 6003357 UXLOBOBQZQUUPI-MSOLQXFVSA-N 449.548 2.420 0 40 IEAB CCCCCC(=O)N[C@@H](NC(=S)N[C@H]1CCS(=O)(=O)C1)C(Cl)(Cl)Cl 8680600 HAAWUEZCVQHVIK-ONGXEEELSA-N 438.830 2.030 0 40 IEAB CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 9284890 RXAGHDDLWMEYBT-MRXNPFEDSA-N 426.469 2.425 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N3C[C@H](C)O[C@H](C)C3)[C@H]2C(C)C)cc1 9426218 ISTXUHJULFKJCO-JTDSTZFVSA-N 425.551 2.213 0 40 IEAB COc1cc(-c2nnc(NC(=O)c3ccccc3S(C)(=O)=O)o2)cc(OC)c1OC 9712658 GODVAFUCSCVKBC-UHFFFAOYSA-N 433.442 2.418 0 40 IEAB COCCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 11696093 INBXZCCPXFXLLV-MRXNPFEDSA-N 428.514 2.143 0 40 IEAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(Cc4ccccn4)cc3)ccc21 12428040 QRHWIIWCLDRECE-UHFFFAOYSA-N 436.493 2.024 0 40 IEAB COc1cccc(-c2nc(COC(=O)[C@H]3CCCN3S(C)(=O)=O)cs2)c1OC 12817618 AIPARWPDLIZUDL-CQSZACIVSA-N 426.516 2.295 0 40 IEAB COc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1 13505862 SOABIORWRZNPCA-INIZCTEOSA-N 444.488 2.039 0 40 IEAB COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1OC 16188427 SEUCWIBCIBRZEC-UHFFFAOYSA-N 426.878 2.394 0 40 IEAB COc1ccccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1=O 16870220 CUOYISUBNOLRDP-RDJZCZTQSA-N 439.468 2.006 0 40 IEAB O=C(NCc1ccccc1)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 18062708 UBEHATNXKBJXHI-UHFFFAOYSA-N 428.558 2.399 0 40 IEAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccc(C)c3)[nH]c2=O)C1 19520464 HHMMWMGESKYUEI-LJQANCHMSA-N 444.557 2.154 0 40 IEAB CNc1nc([C@H]2CCCN2C(=O)CN2CCc3ccccc3C2)nc2c1CCN(C(C)=O)C2 19707334 HOHVVYIMJRCUNF-JOCHJYFZSA-N 448.571 2.145 0 40 IEAB O=C(NCc1nc2ccccc2s1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 22424636 BQWHVECUUPEZKL-UHFFFAOYSA-N 437.591 2.244 0 40 IEAB Cc1ccccc1CN1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 22804202 INPQQXMOGNQFGG-JOCHJYFZSA-N 433.618 2.071 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(c3nccs3)CC2)s1 25066879 WHXGOVNTHFZYOG-UHFFFAOYSA-N 443.620 2.267 0 40 IEAB CCOC(=O)c1ccc2c(c1)n(C[C@H](O)COc1ccc(NC(C)=O)cc1)c(=O)n2CC 30531292 FMLTZOZWFZAZJV-SFHVURJKSA-N 441.484 2.398 0 40 IEAB COC[C@H](C)N(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 32915701 WGBJVBNIERAGEM-STQMWFEESA-N 448.438 2.491 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(SCC(=O)c3c[nH]c4ccccc34)nc2)CC1 34892423 RIBLQEYYXWXUKG-UHFFFAOYSA-N 430.555 2.474 0 40 IEAB CC(C)c1nnc(C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)o1 38518179 NONFWBSSODVNNK-UHFFFAOYSA-N 448.545 2.234 0 40 IEAB CC(C)Cn1c(N)c([C@@H](c2cccnc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O 58145668 NPGQQQKYNCHDHM-OAQYLSRUSA-N 434.544 2.081 0 40 IEAB CCCn1c(N)c(C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c(=O)[nH]c1=O 58166916 HRDPTTSDFKUSIY-UHFFFAOYSA-N 427.530 2.201 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3ccccc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 63386166 YMTMEEOVMZDXJK-RTBURBONSA-N 434.945 2.406 0 40 IEAB O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)c1cnccn1 67896536 NUJRVZKXORCNRZ-IFMALSPDSA-N 436.443 2.329 0 40 IEAB biogenic,in-vitro CCOC(=O)c1cnn(-c2ccc(C(=O)NCCCCN3CCC[C@@H]3CO)cc2)c1C 95428341 PHVVEBQYQKHEJH-HXUWFJFHSA-N 428.533 2.324 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cnn(Cc4ccccc4)c3)cc2)CC1 95947207 OBMDSPIWQCKDLG-UHFFFAOYSA-N 439.541 2.120 0 40 IEAB Cc1ccc(S(=O)(=O)NC2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)s1 101068937 FOHNDZOPQIRHKC-SFHVURJKSA-N 447.582 2.127 0 40 IEAB CCN(CC)CCn1c(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)nc2ccccc21 102242225 IFRMHLUTEUKYKM-LVNJIZSUSA-N 435.528 2.124 0 40 IEAB COc1ccc(CNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)c(OC)c1OC 220090479 VEQHUBMWBKZHOZ-UHFFFAOYSA-N 444.456 2.073 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222467662 JHWVLPPZUBDGAW-INIZCTEOSA-N 435.521 2.063 0 40 IEAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(N2CCCCS2(=O)=O)cc1 222583127 GABBOPIBZFNOJN-UHFFFAOYSA-N 443.525 2.341 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)s1 223880449 TXYPWFXCXSEJFY-LBPRGKRZSA-N 426.520 2.476 0 40 IEAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCCN(C)C)c2)cc1 224351421 VLFHOTCFELKLMA-UHFFFAOYSA-N 425.938 2.465 0 40 IEAB Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1 224555938 WLMBMUYSXKLFHF-IBGZPJMESA-N 445.585 2.298 0 40 IEAB O=C(NCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1)c1ccccn1 247362487 FBXWZDRDYQSYPE-LOZVMHFJSA-N 448.523 2.273 0 40 IEAB CN1CCN(CC(C)(C)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 248212423 DUBGTBXOXDDQON-VSTWWDQDSA-N 440.588 2.084 0 40 IEAB COCC(=O)N1CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2[C@@H]1c1ccccc1 306128376 GYRUAASINVRQPL-IBGZPJMESA-N 439.903 2.440 0 40 IEAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 2037883879 ADWYQIICRIJFDK-HXUWFJFHSA-N 448.449 2.335 0 40 IEAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccccc1N1CCOCC1 1330632 UYLHNTNDEWVHKT-UHFFFAOYSA-N 430.468 2.058 0 40 IEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 3426131 YUUDIJFGBNFJAV-SFHVURJKSA-N 449.507 2.385 0 40 IEAB COc1cc(C(=O)Nc2nnc(-c3cccc(S(C)(=O)=O)c3)o2)cc(OC)c1OC 9346701 SYJBCQKBULRNON-UHFFFAOYSA-N 433.442 2.418 0 40 IEAB COc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(C4CCCC4)C[C@]34C=C[C@H]2O4)cc(OC)c1OC 9435683 SYLGTYVHEITMHD-VZKMNXCRSA-N 428.485 2.376 0 40 IEAB COc1ccccc1NC(=O)Cc1noc(COC(=O)Cn2ccc(C(F)(F)F)n2)n1 9440281 CDVCLBKLYRQLCC-UHFFFAOYSA-N 439.350 2.218 0 40 IEAB Cc1ccc(-n2nnnc2SCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 9491451 ZJZSSYJJHNVJMZ-UHFFFAOYSA-N 431.543 2.284 0 40 IEAB O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9953612 LGWUNMZOMPJTPW-UHFFFAOYSA-N 449.554 2.399 0 40 IEAB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)NCCc1ccc2c(c1)OCCO2 12256433 RPECNEHUNPYCPR-LJQANCHMSA-N 442.493 2.163 0 40 IEAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)C1=CC=CN2CCS(=O)(=O)N=C12 14140691 AGBWDFALCLOQAY-UHFFFAOYSA-N 428.495 2.181 0 40 IEAB CCOc1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1OCC 14246294 IAMZSAWIPFJDCG-UHFFFAOYSA-N 449.529 2.103 0 40 IEAB COc1cccc(Cn2nccc2NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1OC 15204310 RCTRWPCNTYNHRL-IAGOWNOFSA-N 440.500 2.452 0 40 IEAB Cc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 16024917 NLFUYJWZMXQUOT-PBQROFAYSA-N 433.508 2.462 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1C 18535860 QNHBXHFCNFUIMU-UHFFFAOYSA-N 430.457 2.177 0 40 IEAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@H](C)C(=O)Nc3nncs3)CC1)CC2=O 19080780 SPJMMVATZIBTPH-MPBGBICISA-N 430.486 2.290 0 40 IEAB COc1cccc(CC(=O)N2CC[C@@H](c3ccnc4c(Cn5cncn5)c(C)nn34)C2)c1 19707614 NZMATFFVMCAJAA-GOSISDBHSA-N 431.500 2.245 0 40 IEAB Cc1nc([C@H]2CCCN2C(=O)Cn2cccn2)nc2c1CC(=O)N2CCc1ccccc1 19744166 MDKFRMHOGSKWLU-HXUWFJFHSA-N 430.512 2.477 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)ncc1C(=O)N1CCOCC1 19764136 SBFKTEBMNMNBOI-SFHVURJKSA-N 426.492 2.345 0 40 IEAB Cc1cc(C(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1Cc1ccc(F)cc1 22920135 YPEAQULAOKYASP-OAQYLSRUSA-N 447.576 2.280 0 40 IEAB Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 22921029 QMYYNGKOGDOPKP-UHFFFAOYSA-N 444.601 2.146 0 40 IEAB O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N[C@H]1CCN(Cc2ccccc2)C1 22935318 FILBNSCWTFAOSK-DEOSSOPVSA-N 434.584 2.130 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CNC(=O)C(=O)Nc2ccc(Br)cc2)cc1 33459728 HALOCQNWSDUFTM-UHFFFAOYSA-N 448.273 2.319 0 40 IEAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)n1 36358447 VEJCPWKJDGCHBU-INIZCTEOSA-N 428.514 2.166 0 40 IEAB COc1nn(C)cc1C(=O)N1CCC(C(=O)Nc2nc(-c3cccnc3)cs2)CC1 49030455 QBYQKTHVHQQZKR-UHFFFAOYSA-N 426.502 2.438 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3ccc(CC(=O)O)s3)CC2)cc1F 49592551 NNFYCERYSHKGAA-UHFFFAOYSA-N 428.507 2.029 0 40 IEAB COC(=O)CN(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C1CCOCC1 72303747 PHTFUAKZUJCLHL-UHFFFAOYSA-N 435.480 2.488 0 40 IEAB C[C@@H]1CCCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)C1 72329712 FNSQRJVKSPJNCK-CYBMUJFWSA-N 425.445 2.050 0 40 IEAB Cc1nc([C@@H]2CCCCN2C(=O)CCC(N)=O)nc2c1CC(=O)N2Cc1ccc(F)cc1 72371884 UTYOCARTXVEPBR-SFHVURJKSA-N 439.491 2.333 0 40 IEAB COc1ccccc1N1CCN(c2ncc3c(=O)n(-c4ccccc4)c(O)nc3n2)CC1 77100681 BIESHNUIOHVCGB-UHFFFAOYSA-N 430.468 2.217 0 40 IEAB O=C(Cn1cc(-c2nc(-c3cnccn3)no2)ccc1=O)NCc1ccc(F)cc1Cl 77199975 OAFQXNMYYFKGGT-UHFFFAOYSA-N 440.822 2.464 0 40 IEAB CC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1 98212470 ZHZTYZGUSURTFU-ZWKOTPCHSA-N 425.832 2.475 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1OCC 102819541 BWNOUGUMJBHPKR-IAGOWNOFSA-N 445.516 2.056 0 40 IEAB COc1ccc(CNC(=O)CN(c2cc(OC)c(Cl)cc2OC)S(C)(=O)=O)cc1 220054933 VLGSIFQQAGOBIW-UHFFFAOYSA-N 442.921 2.448 0 40 IEAB CCOC(=O)C1CCN(C(=O)CCCN(c2ccc(OC)cc2)S(C)(=O)=O)CC1 222602100 ZJLKKSFEALWTSV-UHFFFAOYSA-N 426.535 2.043 0 40 IEAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)Cc1ccc3c(c1)CCCO3)CC2 257331141 XROFRBZAANMJCR-LJQANCHMSA-N 449.555 2.307 0 40 IEAB COCCN1CCC[C@]2(CN(C(=O)Cc3ccco3)C[C@H]2c2ccnn2C(C)C)C1=O 306124942 CCTNHSGLPPSAKB-WMZHIEFXSA-N 428.533 2.481 0 40 IEAB CCCCNC(=O)N1CC[C@@H](NCc2ccccc2)[C@@]2(CC(C(=O)N3CCCC3)=NO2)C1 306133658 MSJLLACBIZQHRB-ZJSXRUAMSA-N 441.576 2.498 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C)c1nnnn1-c1ccccc1 513125806 KCKYGMILIMLFOK-ZDUSSCGKSA-N 434.481 2.445 0 40 IEAB Cn1ccc(-c2cc(C(=O)NCC(C)(C)CNC(=O)c3cc(-c4ccn(C)c4)[nH]n3)n[nH]2)c1 553093994 RELCPNCRMZWUJE-UHFFFAOYSA-N 448.531 2.330 0 40 IEAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)c3cncc(Br)c3)CC2)c1=O 575606293 GVSJURMFGFTZDB-UHFFFAOYSA-N 434.216 2.235 0 40 IEAB NC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 785649 CKJITSNTYXQILT-UHFFFAOYSA-N 435.933 2.259 0 40 IEAB CC(C)Cn1c(=O)n(C)c(=O)c2c3oc(=O)c(NC(=O)c4ccc(F)cc4)cc3[nH]c21 3426008 KMROPOHBXBWLRP-UHFFFAOYSA-N 426.404 2.182 0 40 IEAB CC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6821079 QMSLYRYVLWLSQQ-CQSZACIVSA-N 433.509 2.448 0 40 IEAB COc1cc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c(OC)cc1Cl 6905831 IESBOJUAFGDBSU-UHFFFAOYSA-N 442.877 2.491 0 40 IEAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 8299846 BRWNLAZCMASSRZ-SXLOBPIMSA-N 439.560 2.075 0 40 IEAB biogenic,in-vitro CCOc1ccccc1C(c1c(O)nc(SC)[nH]c1=O)c1c(O)nc(SC)[nH]c1=O 8716676 YMNDFRUJTISCPE-UHFFFAOYSA-N 448.526 2.287 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)C1=O 9155256 CVVRARKWYGOUMG-XMMPIXPASA-N 446.511 2.193 0 40 IEAB O=C(Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O)N1CCNC1=O 9172292 WZFAXBOJJLUOFC-UHFFFAOYSA-N 433.287 2.439 0 40 IEAB CN1CCN(c2ccccc2NC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)CC1 9469916 MNXHTDGQSBNUFY-SFQUDFHCSA-N 428.558 2.309 0 40 IEAB COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1 9591287 AOBGLAIZEXOVDW-CQSZACIVSA-N 430.844 2.268 0 40 IEAB CCCCNC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 9747493 ZRVZVOWVGDOVAC-MRXNPFEDSA-N 429.970 2.306 0 40 IEAB CN1C[C@@H](NS(=O)(=O)c2cccc3cccnc23)C[C@H]1c1nc(-c2ccncc2)no1 12529849 TXVQVJVJZNJSDF-IRXDYDNUSA-N 436.497 2.404 0 40 IEAB biogenic,in-vitro COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 12907944 GZDBVDLJURGBPQ-UHFFFAOYSA-N 432.498 2.003 0 40 IEAB COC(=O)C1(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCCCC1 12942678 DQRIEWQQNVCBEU-UHFFFAOYSA-N 444.500 2.358 0 40 IEAB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1C 19077251 NETRULMFNILVER-UHFFFAOYSA-N 445.570 2.253 0 40 IEAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 19696753 DNMQOXVPWYCANJ-HNNXBMFYSA-N 428.518 2.016 0 40 IEAB Cc1ncsc1C(=O)N1CCC(c2nc([C@H]3CC(=O)N(C)C3)cc(N(C)C)n2)CC1 19697450 FGRMNRVKJDGSFI-HNNXBMFYSA-N 428.562 2.273 0 40 IEAB Cc1nn2c([C@@H]3CN(C(=O)Cc4ccccc4)CCO3)ccnc2c1CN1CCC(O)CC1 19707718 LSWITWXBQVGRRA-QHCPKHFHSA-N 449.555 2.137 0 40 IEAB CNc1cc(C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nc(CN(C)C(C)=O)n1 19710090 OAVYAXIDLPIWPU-UHFFFAOYSA-N 447.561 2.074 0 40 IEAB Cc1ccc(OCC(=O)NCCN2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1 19890585 RYAQVLNLOKWRTO-UHFFFAOYSA-N 425.529 2.022 0 40 IEAB O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 22287356 HAPRHTZAROQTBG-UHFFFAOYSA-N 441.859 2.117 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1OCC 32818931 DXRFKLMTBUJKQH-FQEVSTJZSA-N 433.486 2.339 0 40 IEAB O=C(Cc1ccc(Br)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1 32828023 AHKSJHRLBFZAHH-UHFFFAOYSA-N 427.306 2.316 0 40 IEAB CN(Cc1cccnc1)S(=O)(=O)c1cc(C(=O)OCCOc2ccccc2)n(C)c1 32928574 YAFJFYDDCLMTIF-UHFFFAOYSA-N 429.498 2.477 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccs2)CC1 38490394 LVEMHTBUPNMWDB-ROUUACIJSA-N 432.567 2.386 0 40 IEAB COc1cccc2cc(C(=O)NCC3CCN(C(=O)c4snnc4C)CC3)c(=O)oc12 43987058 SQZOBOXMLGPJIQ-UHFFFAOYSA-N 442.497 2.244 0 40 IEAB C[C@](O)(CNC(=O)Nc1cccc(COCCOc2ccccc2)c1)CN1CCOCC1 72303922 CSZKCCDQLJWTDE-DEOSSOPVSA-N 443.544 2.487 0 40 IEAB CCOc1cc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)ccc1OCC(N)=O 72327156 QZZKOSXVRMVFKK-UHFFFAOYSA-N 449.555 2.429 0 40 IEAB COc1ccc2c(c1)C(=O)NCC1(CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC1)O2 72393681 WLXVBGNQCQYGHR-UHFFFAOYSA-N 440.496 2.439 0 40 IEAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100758234 RHXCZTGKYSMARR-GBESFXJTSA-N 425.554 2.316 0 40 IEAB biogenic CC(C)NC(=O)C1CCN(C(=O)[C@H](C(=O)c2ccc(F)cc2)n2ccccc2=O)CC1 199404682 LJTUZCSLVHYRNU-FQEVSTJZSA-N 427.476 2.175 0 40 IEAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)c1 225059806 DPKWOURLJKRWLZ-LBPRGKRZSA-N 435.527 2.402 0 40 IEAB CCCNC(=O)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 225427618 GDXSJPJTMYBCRI-UHFFFAOYSA-N 444.605 2.263 0 40 IEAB biogenic,in-vitro COc1ccccc1CCN1CC(=O)N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@H]21 230108006 KOWAHGREUQVFDQ-MOPGFXCFSA-N 434.945 2.406 0 40 IEAB Cc1cc(N2CC[C@@](O)(CNCc3ccc(OCCn4nc(C)cc4C)cc3)C2)ncn1 257320875 VYZIKDKHXDQQOY-XMMPIXPASA-N 436.560 2.408 0 40 IEAB COc1ccc(CN(C)[C@H]2CN(CC(=O)Nc3ccnn3C3CCCC3)C[C@@H]2O)cc1 257330372 XOCHYCTYHPVKBT-SFTDATJTSA-N 427.549 2.122 0 40 IEAB Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1 408653628 JDANCCQEWCGSJO-CQSZACIVSA-N 429.860 2.324 0 40 IEAB C[C@H]1CN(C(=O)Cn2cc(NC(=O)N[C@@H](CO)c3ccc(Cl)cc3)cn2)C[C@@H](C)O1 552852520 FKOFYESBIZCYAS-IYOUNJFTSA-N 435.912 2.027 0 40 IEAB O=C(c1cc(S(=O)(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)c[nH]1)N1CCCC1 570309416 BXTIXDKTLAUEHB-NRFANRHFSA-N 435.521 2.006 0 40 IEAB CC(C)NC(=O)N1C[C@@H]2CC[C@H](CNC(=O)c3cccn(C)c3=O)N2Cc2ccccc21 1565556794 WEUMIPASXYGJFA-MOPGFXCFSA-N 437.544 2.086 0 40 IEAB COCCn1cnc2c(N3C[C@@H]4CN(c5ccc(C(F)(F)F)nc5)C[C@@H]4C3)ncnc21 1888913565 IWXNGJBRUYRSLN-OKILXGFUSA-N 433.438 2.459 0 40 IEAB O=S(=O)(c1cccc2nsnc12)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@@H]2C1 1888928911 SETOMUOATFFQRW-OKILXGFUSA-N 428.543 2.116 0 40 IEAB O=C(CCC(=O)N1CCCc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1 2647602 KGBNDMDUZPYGDT-UHFFFAOYSA-N 441.553 2.279 0 40 IEAB CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCOC 6193007 RQNUHYAVSFIHQW-UHFFFAOYSA-N 448.589 2.312 0 40 IEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N(Cc3ccccc3)C(=O)c3cccnc3)ccc21 8763790 HMRRUZBIFXTYHC-UHFFFAOYSA-N 436.493 2.303 0 40 IEAB COC(=O)c1ccc(CSc2nnc(NC(=O)CCN3C(=O)CCC3=O)s2)cc1 8772213 PHQYQWHDWPRKFD-UHFFFAOYSA-N 434.499 2.095 0 40 IEAB O=C(c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 9253763 ZTFSJPRKHUOCHC-UHFFFAOYSA-N 428.510 2.093 0 40 IEAB COc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c3nc12 9297105 KLQZEQURGLJHCR-LLVKDONJSA-N 429.864 2.259 0 40 IEAB COc1ccc([C@H]2C/C(=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2C(C)=O)cc1 9430244 PFFRDSLPQFWPHC-LAFOYAEKSA-N 434.452 2.026 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCC2)c(=O)n(C)c1=O 9463236 OSGXCWKKRJOOIP-UHFFFAOYSA-N 447.919 2.286 0 40 IEAB CCSc1nnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)s1 9545767 GSWPPKCTRZLZOJ-UHFFFAOYSA-N 432.524 2.062 0 40 IEAB Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 9556676 HYDBAVFDJHTBJD-UHFFFAOYSA-N 433.917 2.142 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)cc1 9745366 YDMLMAJSUCNITO-UHFFFAOYSA-N 444.557 2.201 0 40 IEAB C[C@]1(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CCS(=O)(=O)C1 9953113 ZYXDSRRKUSCGFG-FQEVSTJZSA-N 446.554 2.372 0 40 IEAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)NC3CCCCC3)CC1)CNC2=O 12086673 ARGPZKCHBPEMAE-HSZRJFAPSA-N 429.517 2.018 0 40 IEAB C[C@H]1CN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)C[C@@H](C)O1 12233302 HAPLPJWOJVSQND-ZENOOKHLSA-N 443.504 2.394 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)cc1 12389007 QAABLNFGVUYOKW-GOSISDBHSA-N 445.479 2.406 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1C 12778257 KNKRKUUEUCXSTR-QFIPXVFZSA-N 425.441 2.299 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3ccccc3N3CCCC3=O)CC2)C1 12804363 CESKZSUMOJEAPF-KDURUIRLSA-N 426.561 2.076 0 40 IEAB CCc1ccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2ccc(CC)cc2)cc1 12808093 ZCNLRUOCUCSMHY-UHFFFAOYSA-N 440.496 2.058 0 40 IEAB CCN(CC(=O)NCc1cc(OC)c(OC)cc1OC)C[C@@H]1COc2ccccc2O1 12931098 AJRWHOWHZWEKBN-QGZVFWFLSA-N 430.501 2.491 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)Cn2c(=O)oc3ccccc32)cc1OCC 12948694 CNVPYTIISTVLDA-UHFFFAOYSA-N 427.457 2.489 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 14239934 URWLXLNEPUNGRM-UHFFFAOYSA-N 435.502 2.426 0 40 IEAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(CN2CCCC2=O)cc1 19297666 NXYIWGHGWNSOCI-UHFFFAOYSA-N 439.487 2.454 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@@H](c2nc(-c3ccccc3)no2)C1 19374381 NXOUMXRSCYMILO-GOSISDBHSA-N 429.454 2.270 0 40 IEAB CCc1n[nH]c(C(=O)N2CC[C@@H](c3c(C(=O)NCCO)sc4ncccc34)C2)c1C 19702169 IGHJETZEKRUUEW-CYBMUJFWSA-N 427.530 2.242 0 40 IEAB CCCn1nc(C(=O)N(Cc2ccco2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2c1=O 25815596 RBBFIURYVVKIKU-OAHLLOKOSA-N 429.498 2.229 0 40 IEAB CCN(CC)c1ccc(-c2nnc(SCC(=O)N3CCC[C@@H](C(N)=O)C3)n2C)cc1 32745165 KBWHVWMFOUFGMX-MRXNPFEDSA-N 430.578 2.144 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(NS(C)(=O)=O)cc2)C(C)C)cc1 32893041 VRMNVFMTUWZOEF-GOSISDBHSA-N 439.559 2.308 0 40 IEAB O=C(CCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)N[C@H]1C=CS(=O)(=O)C1 33527002 UJFXWGNNDWGDNV-IGVUGNCQSA-N 426.903 2.193 0 40 IEAB Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 38753571 BEORJPRQHKBJDG-UHFFFAOYSA-N 445.520 2.249 0 40 IEAB O=C(COc1ccccc1)Nn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O 40391538 KUTSVAQBAJSNSY-UHFFFAOYSA-N 430.399 2.394 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)NCC3(CC(=O)O)CCCCC3)n2)cc1OC 49548294 LJRHOVQUQHXSGV-UHFFFAOYSA-N 443.500 2.469 0 40 IEAB COc1ccc(CCN2C[C@@H](C(=O)N3CCC(n4ccnc4)CC3)CC2=O)cc1OC 58439802 KWPNXTWWUQMRJN-SFHVURJKSA-N 426.517 2.155 0 40 IEAB Cc1nn(C)c2ncc(NC(=O)N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)cc12 61403834 LUFSVABPWYUOMN-UHFFFAOYSA-N 446.508 2.391 0 40 IEAB CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)CN3C(=O)CNC3=O)cc2N1 72389787 ZMTUDLVCTBHSFT-IACUBPJLSA-N 442.442 2.042 0 40 IEAB CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1cccc(N)c1 96521117 ZDNSKSULELYKPY-VHSXEESVSA-N 434.093 2.221 0 40 IEAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCC3)[C@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 100430748 XPWQOLVPEJXEGD-BORCDFBASA-N 429.561 2.053 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222600490 RTDIDIGVBUHIGL-INIZCTEOSA-N 435.521 2.063 0 40 IEAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)cc1 223914420 YNJQNKWRFCJPIX-UHFFFAOYSA-N 442.497 2.475 0 40 IEAB O=C(CCn1cnc2ccccc2c1=O)N1CC(n2cc(COc3ccccc3)nn2)C1 225627572 KJVJMYDIPGXYKG-UHFFFAOYSA-N 430.468 2.041 0 40 IEAB COC(=O)/C=C/[C@H](O)[C@H](O)CC/C(C)=C/[C@@H]1C=C(C)[C@H](C)[C@@H]2[C@H](CC(C)C)NC(=O)[C@@]12O 252507122 YUXUTEAAGHFKKH-PSNPCCNVSA-N 449.588 2.268 0 40 IEAB biogenic,in-vitro Cc1cc2nc(CCC(=O)N3CC[C@H](n4cnc5c(N)ncnc54)[C@@](C)(O)C3)[nH]c2cc1C 257284166 PBLVVUYLPJXBEK-SBUREZEXSA-N 448.531 2.059 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2C[C@H]3CN(C(=O)NC4CC4)CC[C@H]3N2CC2CC2)cc1 306128997 HQWJXWTVGAQMKF-BWAGFHJFSA-N 426.561 2.358 0 40 IEAB Cc1nc(C(=O)N2CCC3(CC2)CN(C)C[C@H](C(=O)NCc2ccc(F)cc2)O3)cs1 306135666 OXIJNNAMOLMGPC-LJQANCHMSA-N 446.548 2.212 0 40 IEAB CS(=O)(=O)c1ccc(CN2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1 585105046 ZVFCAHKRDMVBKM-JOCHJYFZSA-N 432.517 2.485 0 40 IEAB O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)NCCc1c[nH]c2ccccc12 1223105 HRJHGBYSWOQBCJ-UHFFFAOYSA-N 431.500 2.017 0 40 IEAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(N(C)C)cc2)c2c(n(C)c(=O)n(C)c2=O)N1 4193795 PEPGTAUDDSXQEN-SFHVURJKSA-N 426.517 2.181 0 40 IEAB CC(C)CCNC(=O)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 4554062 OWKCPFIKQUTYDG-KRWDZBQOSA-N 427.542 2.038 0 40 IEAB CNC(=O)OCC1=C(COC(=O)NC)[C@@H]2O[C@H]1C(C(=O)OC)=C2c1ccc(Cl)cc1 5665121 GSWWHOPYIUGNCK-DLBZAZTESA-N 436.848 2.056 0 40 IEAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9050059 BWMIRPZDUXHEPD-UHFFFAOYSA-N 436.553 2.371 0 40 IEAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)Nc1ccc(N2CCOCC2)cc1 9119931 HYWTZNHXQLNGKG-UHFFFAOYSA-N 425.514 2.187 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccncc3)c(=O)n2[C@H]1c1ccc(OC)cc1 9434451 LEGXKDBOXVHHQL-ZPBCLNFZSA-N 435.505 2.202 0 40 IEAB COc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cc1S(=O)(=O)N(C)C 9460052 WFIKFZYRUGBKRL-UHFFFAOYSA-N 439.921 2.358 0 40 IEAB Cc1cc(OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c2c(C)c(C)c(=O)oc2c1 9486936 OIWXYEDTELOCCE-UHFFFAOYSA-N 430.482 2.061 0 40 IEAB COCCn1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2cc(Cl)ccc2c1=O 11062165 RVOPZYQEOORUQK-STQMWFEESA-N 425.938 2.424 0 40 IEAB C[C@@H]1CCc2c(sc3nc(SCC(=O)O[C@@H]4CCS(=O)(=O)C4)nc(N)c23)C1 12557555 NLJDWJCTPNUUMX-NXEZZACHSA-N 427.573 2.221 0 40 IEAB CC[C@H](C)[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 12883248 YFTLVPAMEUTPTF-OWABGRNCSA-N 433.574 2.063 0 40 IEAB biogenic Cc1ccc(-c2cnnn2-c2ccc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)cc2)cc1 12894122 CSOCJUMONXJDHD-UHFFFAOYSA-N 430.468 2.057 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(Cn3cccn3)cc2)cc1C 13011990 FOJVNIPJZOIVOX-UHFFFAOYSA-N 426.542 2.485 0 40 IEAB O=C1C[C@H](NC2CCCC2)C(=O)N1c1ccc(N2C(=O)C[C@H](NC3CCCC3)C2=O)cc1 13388257 IEWZFJUOTRWATK-PMACEKPBSA-N 438.528 2.015 0 40 IEAB Nc1nc(COC(=O)CCS(=O)(=O)c2ccccc2)nc(Nc2ccc(F)cc2)n1 14234915 VSPGVTYCPJTCFZ-UHFFFAOYSA-N 431.449 2.244 0 40 IEAB O=C(CN1CC=C(c2ccccc2)CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 15412429 MYVPTNUWQSXIHM-UHFFFAOYSA-N 439.581 2.450 0 40 IEAB O=C(CN1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1)N1CCN(C2CCCC2)CC1 19292045 KCUVWRKZHWZBKN-UHFFFAOYSA-N 441.620 2.236 0 40 IEAB C[C@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699331 ZTPILHZUZBFEJL-GHTZIAJQSA-N 438.572 2.263 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCOCC1)CCC2 19706284 OWQRFSFYJFQUSJ-HXUWFJFHSA-N 429.565 2.154 0 40 IEAB O=C(Cn1cccc(C(=O)N2CCC[C@H](CN3CCCC3)C2)c1=O)NCc1ccccc1 19749951 DYSSDNGOOXRGRT-OAQYLSRUSA-N 436.556 2.113 0 40 IEAB CC(=O)Nc1ccc(NC(=O)Cn2c3c(c(=O)n(Cc4ccccc4)c2=O)CCC3)cc1 23216413 CDODJBXZKCZAAC-UHFFFAOYSA-N 432.480 2.144 0 40 IEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 24841742 BKXIMGJBZKOEQP-GJZGRUSLSA-N 437.477 2.294 0 40 IEAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CN1CCC[C@H](C(N)=O)C1)CC2 29693427 GTITWPWGRJSADP-CYFREDJKSA-N 437.540 2.375 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@H]1c1nnc2ccccn12 31499991 CECIPXUDIMVBLS-SFHVURJKSA-N 425.514 2.491 0 40 IEAB CCOCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 57773674 CXNPNFWYIHIFCA-FGZHOGPDSA-N 439.556 2.102 0 40 IEAB CN(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)S(=O)(=O)c1ccccc1 61238205 QBEWFLNSPMSDME-UHFFFAOYSA-N 438.509 2.271 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1 77197708 FOFIEFDBOVINOJ-UHFFFAOYSA-N 432.424 2.359 0 40 IEAB COC(=O)c1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)ccn1 79045806 RNLRCZJREBIBKW-UHFFFAOYSA-N 433.486 2.304 0 40 IEAB O=c1occ(CN2CCc3ccccc3C2)c(O)c1CN1CCN(C2CCOCC2)CC1 79480087 KJOVICYESMLTRW-UHFFFAOYSA-N 439.556 2.200 0 40 IEAB Cc1sc2ncn(CCC(=O)NCc3ccnc(OCCN(C)C)c3)c(=O)c2c1C 95447612 CGZBJQSEQMRVQZ-UHFFFAOYSA-N 429.546 2.117 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)c1 223963016 YNOJPDUMLJHZHD-CQSZACIVSA-N 439.509 2.333 0 40 IEAB CN(CC(=O)Nc1ccc(CC(N)=O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 226036075 UKSDBWKYNVBDRI-UHFFFAOYSA-N 430.313 2.280 0 40 IEAB Cc1cc(Cc2ccccc2)cc([C@@H]2CN(C(=O)CCN3C(=O)CCNC3=O)CCO2)n1 257253566 JZKGCZXOBONAMV-NRFANRHFSA-N 436.512 2.213 0 40 IEAB CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc4c(c3)OCO4)CC1)COC2 306130850 JRDVVFMPCXNNEH-MRXNPFEDSA-N 441.532 2.348 0 40 IEAB O=C(NCc1cncc(-c2ccoc2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 575620558 OFOCUIDNSKQXOZ-UHFFFAOYSA-N 427.482 2.293 0 40 IEAB COc1ccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCC(OC)CC2)cc1 585262377 CLBYKPLDQWCKED-LWSSLDFYSA-N 440.540 2.485 0 40 IEAB Cc1ccc2[nH]c3c(c2c1)CN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)CC3 591381639 QECFSMGZEPZJES-MRXNPFEDSA-N 441.557 2.338 0 40 IEAB Cc1cc(CN2CC3(C2)[C@H](C(=O)N2CCOCC2)c2ccccc2C(=O)N3C(C)C)no1 1549166252 BUVDNXCTXASFNW-NRFANRHFSA-N 438.528 2.044 0 40 IEAB COc1ncc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4ccc(C)cc4)C3)C2)cc1C 2056226235 NMQMUVKGHUSHSK-ZJSXRUAMSA-N 425.529 2.383 0 40 IEAB CC(C)c1ccc(CN2CCC[C@@]3(CC(C(=O)NCCN4CCNC4=O)=NO3)C2)cc1 2056226752 ZBQOKTFSEYWOQU-HSZRJFAPSA-N 427.549 2.062 0 40 IEAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](NS(=O)(=O)c2cnn(C)c2)C1 2332241437 KXOHEDHWBOSDFU-QXAKKESOSA-N 444.561 2.235 0 40 IEAB COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1OC 1451302 YVBSYEVONRDKCL-ZDLGFXPLSA-N 441.896 2.320 0 40 IEAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccccc2Br)C1=O 3369405 XIVVZIIMUYTOGA-UHFFFAOYSA-N 426.267 2.041 0 40 IEAB C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCc4ccco4)cn1c23 8682259 KUOAIVBHAWZENK-AWEZNQCLSA-N 440.475 2.369 0 40 IEAB COc1ccc(NC(=O)CC[C@@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1OC 9047933 YHVNSFIYCQPWBS-HNNXBMFYSA-N 441.440 2.476 0 40 IEAB COc1ccc(-n2c(C)cn3c4c(=O)n([C@H](C)C(C)=O)c(=O)n(C)c4nc23)cc1Cl 9297122 CEXDHOKHMNSHFA-LLVKDONJSA-N 429.864 2.259 0 40 IEAB Cc1cc2cc(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(=O)[nH]c2cc1C 9428142 TWRBAJLEGNBJKI-UHFFFAOYSA-N 427.526 2.368 0 40 IEAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1 9871750 FDFMVEGSZAULJG-QHCPKHFHSA-N 437.452 2.456 0 40 IEAB O=C(COc1cccc2ccccc12)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 11002326 VHOCQJORJLCTJA-UHFFFAOYSA-N 431.558 2.484 0 40 IEAB O=C(CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1)Nc1cccnc1Cl 11338025 XDFCDQNYRDPORK-ZDUSSCGKSA-N 438.941 2.073 0 40 IEAB CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)[C@H]1CCS(=O)(=O)C1 12533546 OXWWNUDUDJKELO-AWEZNQCLSA-N 428.967 2.263 0 40 IEAB NS(=O)(=O)c1ccc(CCC(=O)N2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 12669402 MDBHORQODGVYTC-UHFFFAOYSA-N 441.513 2.118 0 40 IEAB COc1ccc(CC[C@@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1 14242575 JTPUQNZCLPGHBP-LFVRLGFBSA-N 438.484 2.064 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCCO2 14397534 VHBXSHPLHBJUBT-UHFFFAOYSA-N 433.486 2.211 0 40 IEAB COCCn1nnnc1[C@H](c1cccc(OC)c1OC)N1CCN(C2CCCCC2)CC1 19594036 HYGFDBAFMHUPCE-NRFANRHFSA-N 444.580 2.376 0 40 IEAB COCCn1nnnc1[C@@H](c1ccccc1OC)N1CCN(c2ccccc2F)CC1 19594130 JHHACJXZJGRZDV-OAQYLSRUSA-N 426.496 2.379 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1(N2CCOCC2)CCCCC1 29968668 NCUQVYYOVPYZEA-GOSISDBHSA-N 443.635 2.202 0 40 IEAB O=C(c1cc(Br)ccc1Cl)N1CCN(S(=O)(=O)N2CCCC2)CC1 30209686 ICEPGXGGHUCGLW-UHFFFAOYSA-N 436.759 2.201 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1CCN(C(=O)C2CC2)CC1 32908667 KONMSYVUVLYRHU-SFHVURJKSA-N 441.981 2.160 0 40 IEAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2F)CC1 34856271 JRNTXVKXZGIRPR-KRWDZBQOSA-N 431.533 2.500 0 40 IEAB O=C(CN1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1)NC[C@H]1CCCO1 35598348 GNGXSMUPUOTHQG-JOCHJYFZSA-N 447.583 2.497 0 40 IEAB CC(=O)c1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)cc1 49409112 HYIYMPYKTLRYGV-UHFFFAOYSA-N 431.514 2.110 0 40 IEAB CCc1nc(=O)c2ccccc2n1C1=CCN(C(=O)Cc2nc3nc(C)cc(C)n3n2)CC1 72348253 SLQBXCNTZFFUJW-UHFFFAOYSA-N 443.511 2.329 0 40 IEAB Cc1noc(C)c1CN1CCC2(CC1)O[C@@H](C(=O)NCc1cccnc1)Cn1ccnc12 96243825 SORYDVWYIIUWAC-HXUWFJFHSA-N 436.516 2.089 0 40 IEAB O=C(CNC(=O)c1ccccc1)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 96855721 MIPITVZIYNUJGA-SFQUDFHCSA-N 427.457 2.408 0 40 IEAB CCc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 222374817 AUQSDSNSIPGZAZ-SFHVURJKSA-N 445.585 2.487 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225192467 UJJLEAYIDUNQNK-SFHVURJKSA-N 431.558 2.233 0 40 IEAB CCOC(=O)CN1[C@H](CC(=O)Nc2cc(Cl)ccc2OC)C(=O)N[C@H]2CCCC[C@H]21 250484061 ZBXKLESCWFWVQN-USXIJHARSA-N 437.924 2.352 0 40 IEAB CNC(=O)c1cccc([C@@H]2CN(CC(=O)NCc3ccccc3Cl)CCN2C(C)=O)c1 257223321 DWVOPVSJPKZAKN-NRFANRHFSA-N 442.947 2.221 0 40 IEAB COc1cccc(N([C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)c1 260892704 DPKWOURLJKRWLZ-GFCCVEGCSA-N 435.527 2.402 0 40 IEAB NS(=O)(=O)c1ccc(F)c(CNC(=O)[C@@H]2CCCN(c3ncnc4sccc34)C2)c1 608136552 HZRFPSKRUFLNOD-GFCCVEGCSA-N 449.533 2.011 0 40 IEAB CNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl 3266255 NULPMJAJSWDWLE-UHFFFAOYSA-N 426.878 2.077 0 40 IEAB CCN(C(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 3397878 TVVRFLOKJHTWFD-GNISGLHKSA-N 445.541 2.081 0 40 IEAB CCOCCn1c(=O)c2c(nc3n(-c4cc(C)ccc4OC)c(C)c(C)n23)n(C)c1=O 4912335 SVLQMLDCWAURHO-UHFFFAOYSA-N 425.489 2.109 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)Nc2ccccc2Cl)CC1 8749331 BWPLXXZKPLYPOD-UHFFFAOYSA-N 426.926 2.280 0 40 IEAB COc1cc(/C=c2\sc3n(c2=O)CN(c2ccc(F)c(F)c2)CN=3)cc(OC)c1OC 9186344 OACACJMOCHGBEW-LSCVHKIXSA-N 447.463 2.097 0 40 IEAB CN(CC(=O)N1CCCC1)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9257017 GHWMKFRXKYPJIZ-UHFFFAOYSA-N 443.569 2.321 0 40 IEAB COc1ccc(-c2nnc3ccc(SCC(=O)NC[C@@H]4CCCO4)nn23)cc1OC 9415541 OJZCBMFMEZOLPZ-AWEZNQCLSA-N 429.502 2.196 0 40 IEAB COc1ccc(CC(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1OC 9428203 PEKUIPUCCHJOHK-UHFFFAOYSA-N 426.469 2.464 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3cccnc3)CC2)cc1 9505161 WLCMNJMAOLIDGF-UHFFFAOYSA-N 444.557 2.441 0 40 IEAB CC1CCN(C(=O)Cn2cc(S(=O)(=O)CC(=O)N3CCCC3)c3ccccc32)CC1 9519846 HEGNPDYUJFJVQU-UHFFFAOYSA-N 431.558 2.296 0 40 IEAB O=C(CSc1nnnn1C1CCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9638327 WZGXWZWBAINCJQ-UHFFFAOYSA-N 436.563 2.304 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c1 9661981 DIOKRFBXDZEMNS-QGZVFWFLSA-N 434.514 2.232 0 40 IEAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(c3ccccn3)CC2)C1=O 9739768 GIAJGMSHBCBPTG-VWLOTQADSA-N 443.507 2.351 0 40 IEAB Cc1cccc(-n2c(C)nnc2SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)c1 9883528 KXMQJHPAKFXOPB-UHFFFAOYSA-N 427.530 2.164 0 40 IEAB Cn1nc(CC(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)c2ccccc2c1=O 9960561 RVTJWCBLZJOLLN-UHFFFAOYSA-N 436.493 2.168 0 40 IEAB O=C(CSc1nnc(CN2CCCC2)o1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 9963910 APSZODLWUBAIJD-INIZCTEOSA-N 442.607 2.106 0 40 IEAB CC(=O)c1cccc(NS(=O)(=O)c2c(C)cc(N3C(=O)CCS3(=O)=O)cc2C)c1 11858154 ASRZSRVZFLOMLA-UHFFFAOYSA-N 436.511 2.373 0 40 IEAB COC(=O)C1CCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccc(F)cc3)C2)CC1 12182818 MZCUEYVNYQTIEP-ZWKOTPCHSA-N 432.521 2.272 0 40 IEAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 12548350 BITVYBRCNHVBDF-INIZCTEOSA-N 446.463 2.414 0 40 IEAB CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12746960 NDJWVKFSBKGEJL-BJRSVTDJSA-N 427.526 2.485 0 40 IEAB CN(CC(=O)NCc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(Cl)cc1 13691068 BCFCVVVOKXOCGA-UHFFFAOYSA-N 426.907 2.388 0 40 IEAB CCCn1c(=O)n(CC(=O)Nc2c(C)cccc2CC)c(=O)c2c1nc(C)n2CCOC 14358327 DUAXMEBOJKVZSP-UHFFFAOYSA-N 441.532 2.234 0 40 IEAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CCO)CC2)c1 16680240 CTECZFUURGOUSK-UHFFFAOYSA-N 436.512 2.307 0 40 IEAB COc1ccc(C)cc1CN1CCN(S(=O)(=O)c2c[nH]nc2-c2ccncc2)CC1 19133542 NTONCLMBGMKYFA-UHFFFAOYSA-N 427.530 2.295 0 40 IEAB CCOCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC 20007261 UTAPIRDKIZTFEC-IBGZPJMESA-N 434.558 2.436 0 40 IEAB COCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 20048988 CDKDPUOYGRMFDX-UHFFFAOYSA-N 433.368 2.144 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1 21319196 MULFZBRYBBUUAL-UHFFFAOYSA-N 444.557 2.015 0 40 IEAB O=C1NC2(CCCCCC2)C(=O)N1CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 23675052 VPDCRKBSEMTDIF-LICLKQGHSA-N 446.573 2.207 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)OC)c2)cc1 24256787 YNZLPSIRBRDLST-UHFFFAOYSA-N 426.516 2.305 0 40 IEAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2=O)cc1OC 28435167 RMZCKBJZJBOQBY-QGZVFWFLSA-N 438.528 2.447 0 40 IEAB Cn1ccc(S(=O)(=O)N2CCN(Cn3nc(-c4cccs4)oc3=S)CC2)c1 32935400 FBFRZCINZGWHTL-UHFFFAOYSA-N 425.561 2.237 0 40 IEAB CC(C)CN(C(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)[C@@H]1CCS(=O)(=O)C1 40287730 KDYMFEFPIFEFLV-QGZVFWFLSA-N 437.949 2.235 0 40 IEAB Cn1c(CN2CCC([C@@H]3CCCCCN3C(=O)c3ccccc3)CC2)cc(=O)n(C)c1=O 71889320 KUCXQJYZKZRQIW-QFIPXVFZSA-N 438.572 2.381 0 40 IEAB O=C([C@@H]1OCCc2ccccc21)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338903 TXTNUGDJTFMPSC-RTWAWAEBSA-N 427.526 2.269 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(C)c4C)[C@@H]3C2=O)cc1OC 101169881 WTBZTOZGHURYJC-PMACEKPBSA-N 437.456 2.253 0 40 IEAB CN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 224347551 FCWLKZSHSXAQRB-UHFFFAOYSA-N 447.439 2.079 0 40 IEAB Cc1ccc(Oc2ncccc2C(=O)N2CCN(Cc3ccccc3)C[C@H]2C(N)=O)cn1 257261818 LIXIWITVPPLSQG-NRFANRHFSA-N 431.496 2.389 0 40 IEAB Cc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)Nc1cccc(C)c1C 408615505 BCOFGPHYVYNXIH-UHFFFAOYSA-N 431.558 2.475 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(=O)(=O)CC 408705983 SBPCMKANBIUFDJ-UHFFFAOYSA-N 447.513 2.350 0 40 IEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408712957 DGGJQJNVXPAQIN-UHFFFAOYSA-N 430.313 2.499 0 40 IEAB O=C(N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 511823753 LTPFXRNRHWSRAX-HNNXBMFYSA-N 432.402 2.240 0 40 IEAB CC[C@H](C(=O)N1CCC(NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1)c1ccccc1 519099419 SCJJQQKJRXZVRZ-IBGZPJMESA-N 435.528 2.175 0 40 IEAB CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)c3c(O)nc(O)nc3n2)c1 536469061 XUFQMCCLGKMEGI-GFCCVEGCSA-N 445.501 2.215 0 40 IEAB O=S1(=O)C[C@@H](O)[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575425198 QLLZXWCUFDDSRP-HZPDHXFCSA-N 436.338 2.347 0 40 IEAB O=C(CN1CCC[C@@](O)(COc2ccccc2F)CC1)NCc1cccc2c1OCO2 585271502 AHVZYGITHWBEEQ-QHCPKHFHSA-N 430.476 2.467 0 40 IEAB CS(=O)(=O)Nc1cccc2c1CCN(C(=O)N[C@H]1CCc3ccccc3NC1=O)C2 1230514621 LVXMBROBLCKZOA-IBGZPJMESA-N 428.514 2.079 0 40 IEAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 2635332 LAGCBMXRVMDUSQ-UHFFFAOYSA-N 437.949 2.369 0 40 IEAB O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 8954744 JNQYZYQGAFNMJK-UHFFFAOYSA-N 429.376 2.380 0 40 IEAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NC(=O)CN1CCCC1=O 9126172 IXTMLOAFMGDDOX-UHFFFAOYSA-N 435.509 2.292 0 40 IEAB CSc1ccccc1NC(=O)[C@H](C)OC(=O)CCNC1=NS(=O)(=O)c2ccccc21 9551307 YXAFHOWDXXVPTP-ZDUSSCGKSA-N 447.538 2.408 0 40 IEAB Cn1nc(C(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2N)c2ccccc2c1=O 9582252 AIFUNWXMHDVGCY-UHFFFAOYSA-N 426.376 2.062 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 10188087 HGFFDMMNDWWSAW-UHFFFAOYSA-N 425.913 2.361 0 40 IEAB O=C(CNc1cc(F)cc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 10630356 CTWFUKIZGOKVGR-UHFFFAOYSA-N 435.496 2.399 0 40 IEAB CCOc1ccc(-c2nnc3n(Cc4ccccc4F)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 10970021 LJFFFKQGPJOMLZ-UHFFFAOYSA-N 434.431 2.324 0 40 IEAB COc1ccc(NS(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1Cl 12235978 RDNASYLZZACGTF-CYBMUJFWSA-N 433.939 2.322 0 40 IEAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)NC2CCCCC2)c1 12522405 JCYLETJPFJDUGE-UHFFFAOYSA-N 437.562 2.143 0 40 IEAB C[C@@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)NC[C@H]1CCCO1 12554118 AKQVKENAUNRLCD-RHSMWYFYSA-N 435.525 2.019 0 40 IEAB CCc1ccc([C@H](CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)N(C)C)cc1 12772026 LCAFDBHCIDQWBP-FQEVSTJZSA-N 429.542 2.067 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 12973577 JXPSTDNCIVYWNR-UHFFFAOYSA-N 436.361 2.452 0 40 IEAB COc1ccc(C2=NO[C@H]3[C@@H]2[C@H]2O[C@@H]3[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)c(OC)c1 13539894 MZTJORHDZYNNJI-HNJSAKBSSA-N 434.448 2.318 0 40 IEAB COC(=O)C1=C(CSc2nnc(C)s2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 13566270 MLJATVDBWZBOLU-OAHLLOKOSA-N 436.515 2.437 0 40 IEAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)c2nccnc2N)CC1 14043509 RRWUDZKFIRLZHS-UHFFFAOYSA-N 431.562 2.120 0 40 IEAB Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)c(F)c1 15314163 AXRCSPATDMJLRW-UHFFFAOYSA-N 445.472 2.249 0 40 IEAB CC(=O)N1CCc2nc([C@H]3CCCCN3S(=O)(=O)Cc3cccc(C)c3)[nH]c(=O)c2C1 19235090 DAHXCTFYUZQKGR-HXUWFJFHSA-N 444.557 2.040 0 40 IEAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)Cc2nnc(N)s2)CCO1 19697843 VRMYAQWWLIEPQC-GFCCVEGCSA-N 431.543 2.179 0 40 IEAB CCN(CC)CC(=O)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19703121 VNKRFQUKRHLDQC-QGZVFWFLSA-N 446.573 2.010 0 40 IEAB Cn1nccc1CN1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19705470 LBUWOERGTPGHFY-QGZVFWFLSA-N 427.530 2.076 0 40 IEAB COCc1ccc(C(=O)N2CC[C@@H](c3ccnc4c(Cn5cncn5)c(C)nn34)C2)cc1 19707638 DSHJRYOMWCMLTO-LJQANCHMSA-N 431.500 2.454 0 40 IEAB COc1ccc(-c2cc(C(=O)NCc3ccco3)n[nH]2)cc1S(=O)(=O)N1CCCC1 21659951 SWQMKWCKYLXJSA-UHFFFAOYSA-N 430.486 2.393 0 40 IEAB O=C(CCc1ccccc1)NC(NCCN1CCOCC1)(C(F)(F)F)C(F)(F)F 22916566 MMONJNKCDYZNBR-UHFFFAOYSA-N 427.389 2.478 0 40 IEAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCc2c(C)noc2C)c(=O)[nH]c1=O 23122193 BWQXJKNKFBFWAN-UHFFFAOYSA-N 429.477 2.283 0 40 IEAB C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)Cc2ccccc2C(=O)O1 23122690 REZMEIIDMTTWSO-NRFANRHFSA-N 448.928 2.345 0 40 IEAB CCOc1ccc(C(=O)c2ccccc2C(=O)NCCNS(=O)(=O)CC)cc1OCC 32914518 QIUKFDKRRZAMEQ-UHFFFAOYSA-N 448.541 2.384 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 32957432 AJISQVCPYZDIRP-LPHOPBHVSA-N 444.528 2.335 0 40 IEAB COc1ccc(CC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(OC)c1OC 39995456 VAFLYIIOKLTQOF-GOSISDBHSA-N 433.526 2.471 0 40 IEAB Cc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)cc1F 40478088 AUKGDTCCLIDUMN-UHFFFAOYSA-N 428.374 2.401 0 40 IEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 44883108 PRDHFZHNNITWAL-UHFFFAOYSA-N 441.531 2.006 0 40 IEAB COc1ccc(CNC(=O)Cn2c(N3CCc4ccccc4C3)nc(C)cc2=O)cc1OC 57506638 SXQHRISHWWJQNC-UHFFFAOYSA-N 448.523 2.448 0 40 IEAB COc1ccc(-n2c(O)nc3nc(N4CCC(N5CCCCC5)CC4)ncc3c2=O)cc1 67264213 RQRTXMLJRDEKRP-UHFFFAOYSA-N 436.516 2.345 0 40 IEAB Cn1nnnc1SCCNC(=O)C1(Cc2cc(-c3ccccc3F)no2)CCOCC1 72393545 IQTCKJZYXJLRCA-UHFFFAOYSA-N 446.508 2.252 0 40 IEAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc(-c3ccoc3C)n2N)c(C)c1 84074805 KWTRZHXDOPHTJG-UHFFFAOYSA-N 428.518 2.333 0 40 IEAB O=C(COC(=O)CNC(=O)c1cccc(O)c1)Nc1c(F)cc(F)cc1Br 97165557 LOFRLYWDCBFOFA-UHFFFAOYSA-N 443.200 2.345 0 40 IEAB Cc1ccc(CNC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)cc1 101169706 SSLDCSONXICLCR-ZWKOTPCHSA-N 429.839 2.397 0 40 IEAB CCN1C(=O)[C@H](NC(=O)C(=O)NCc2ccccc2OC)c2cc(Br)ccc21 101451081 ILRMDNCACMEPCR-QGZVFWFLSA-N 446.301 2.298 0 40 IEAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 219972182 LJDQLIGOJKQGCL-SFHVURJKSA-N 432.542 2.354 0 40 IEAB CCSc1nnc(NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)s1 223695120 YRAGNAZSCXMWMD-JTQLQIEISA-N 446.576 2.461 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223784735 OHFXDUNCXNVEKF-INIZCTEOSA-N 435.521 2.145 0 40 IEAB Cc1ccccc1-c1noc(CNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)n1 224547146 YLESCZJGJSPIRD-UHFFFAOYSA-N 432.477 2.262 0 40 IEAB CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224830002 BSPRNTCWABCRCZ-UHFFFAOYSA-N 435.454 2.003 0 40 IEAB S=C(NCCN1CCOCC1)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1 225903324 UIWJJWDWDWVRHD-UHFFFAOYSA-N 428.562 2.488 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSc2nc(-c3ccccc3)n[nH]2)cc1 226001812 SUMAHUKIMOGGLQ-UHFFFAOYSA-N 445.570 2.309 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408666809 SPRZWOHHISOCOD-BTDZUBADSA-N 447.285 2.126 0 40 IEAB COc1ccc(C(=O)NCc2nnc(SCC(=O)NCCc3ccccc3)n2C)cc1 633747 DDDSQYWDTLAKIM-UHFFFAOYSA-N 439.541 2.205 0 40 IEAB CC[C@H](C(=O)NC1CCCC1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2ccc(C)o2)n1 903415 CRYUUJXIJCHLNO-ZWKOTPCHSA-N 444.536 2.087 0 40 IEAB COC(=O)c1cc(NC(=O)CNc2cc(NC(C)=O)ccc2OC)cc(C(=O)OC)c1 3335648 IJODQIKJCJMFCB-UHFFFAOYSA-N 429.429 2.277 0 40 IEAB CCOC(=O)[C@@H]1CC[C@H](OC(C)=O)[C@H](O[C@@H]2C[C@H](C(=O)OCC)CC[C@H]2OC(C)=O)C1 4768919 VLXPZNOTDZLAIO-IGOIZDSHSA-N 442.505 2.330 0 40 IEAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9252777 NHGOXDHQBQYBFZ-UHFFFAOYSA-N 440.525 2.347 0 40 IEAB CC(C)CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1 9291325 BTIJSQWBEYZNRE-UHFFFAOYSA-N 438.576 2.224 0 40 IEAB COc1cc(NC(=O)[C@@H]2[C@@H]3C(=O)N(C4CCCC4)C[C@]34C=C[C@H]2O4)cc(OC)c1OC 9435684 SYLGTYVHEITMHD-MUXOPTKESA-N 428.485 2.376 0 40 IEAB CCOc1ccc(C(=O)C2=C(C(=O)OC)Nc3nnnn3[C@H]2c2cccc(OC)c2)cc1 10232098 FRPUJQOGDLLDGY-IBGZPJMESA-N 435.440 2.405 0 40 IEAB Cc1ccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 10385407 CBFRLZASIYRVPU-KRWDZBQOSA-N 441.532 2.225 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1OC 11693991 PNSQQFNQKBXCMR-UHFFFAOYSA-N 430.486 2.265 0 40 IEAB O=C(NCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029392 LYZGQUPUFQZUMR-KRWDZBQOSA-N 427.931 2.231 0 40 IEAB COc1ccc([C@@H]2C[C@H](C(=O)N[C@H](C)c3ccccc3)N(C)S(=O)(=O)N2)cc1OC 12129896 NCVNHBIWFMQESS-FHLIZLRMSA-N 433.530 2.161 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1C 12443455 PZRLZOYJMUYJNP-UHFFFAOYSA-N 425.514 2.367 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccc2OC)n1N 16756051 CNRFDCNDDLOHON-UHFFFAOYSA-N 442.501 2.365 0 40 IEAB COc1ccccc1C1(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCOCC1 16970224 HDLKBYPWFOIEGT-UHFFFAOYSA-N 432.542 2.424 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)N3CCOCC3)c12 16992919 BEPNNRDHNBHVKP-KRWDZBQOSA-N 440.525 2.239 0 40 IEAB CCOC(=O)Cn1cc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)c2ccccc21 19530582 AWTYSHHRTIEIDF-UHFFFAOYSA-N 435.528 2.446 0 40 IEAB CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 19933219 DFKURKALAWZOIW-UHFFFAOYSA-N 434.514 2.045 0 40 IEAB COc1ccc(N(CC(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)c(OC)c1 22333621 ZGPUUXDJQVDIIB-INIZCTEOSA-N 436.530 2.362 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cc1 22923124 XJJBNMZPQBRGKY-GOSISDBHSA-N 430.526 2.352 0 40 IEAB COc1ccc(C)cc1NC(=O)CNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 23514829 XUTNFJMRLVSHSK-UHFFFAOYSA-N 439.493 2.420 0 40 IEAB CCCc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(C(=O)OCC)CC3)C2=O)cc1 24936851 XYLHNYSQLKJYOS-QHCPKHFHSA-N 429.517 2.208 0 40 IEAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccnc(N2CCOCC2)c1 25289821 USRLKXCRNZSPBW-UHFFFAOYSA-N 447.333 2.117 0 40 IEAB Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(C)c3cc2c1C 26771846 AGCPBUPLYQAYEZ-MRXNPFEDSA-N 443.456 2.025 0 40 IEAB biogenic Cc1coc2cc3oc(=O)c(CCC(=O)N4CCN(S(C)(=O)=O)CC4)c(C)c3cc12 30819168 BOYYBOLLYRHEHE-UHFFFAOYSA-N 432.498 2.192 0 40 IEAB COc1ccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)cc1 44857296 IQZLGKUXYWLROM-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB COc1ccccc1N(CC(=O)NCc1ccc(-n2ccnc2C)cc1)S(C)(=O)=O 44901675 YBJDITNNAJCFBA-UHFFFAOYSA-N 428.514 2.272 0 40 IEAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 57273690 VEZBZTFOZICQBX-UHFFFAOYSA-N 428.489 2.278 0 40 IEAB Cn1c(Cl)cnc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 58244951 RMIRUBCAXQTXTH-LBPRGKRZSA-N 447.344 2.114 0 40 IEAB Cc1cccc(S(=O)(=O)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2N)c1 71772154 ODIGFHGFTNDAQG-UHFFFAOYSA-N 433.534 2.257 0 40 IEAB Cc1cc(-c2cn3nc(C)c(C)nc3n2)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1 72373382 MJKBTXOYFRXPIP-UHFFFAOYSA-N 442.545 2.327 0 40 IEAB CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(C)s2)CC3)C1=O 96036536 ZJXYCEPOCFJPOP-FQEVSTJZSA-N 425.620 2.153 0 40 IEAB COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)NCCc2c[nH]c3ccccc23)C1=O 96222454 DNXVRSGRMHAAOG-FQEVSTJZSA-N 434.496 2.388 0 40 IEAB biogenic CCN1C(=O)C[C@H](N2CCN(c3ccc(C(=O)c4ccc(OC)c(F)c4)cc3)CC2)C1=O 100914738 TWLZKHVLQXFCGH-FQEVSTJZSA-N 439.487 2.335 0 40 IEAB CCOC(=O)/C=c1/[nH]c(=O)/c(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)s1 105739560 HALGSEDYTSIKFF-NAWSQEDCSA-N 447.516 2.470 0 40 IEAB CC(=O)N1c2ccc(S(=O)(=O)NC[C@H](c3ccccc3)N3CCOCC3)cc2C[C@@H]1C 105826941 KKWRJUOQXCPTEY-GAJHUEQPSA-N 443.569 2.336 0 40 IEAB CN(c1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O 219715978 FWDTUCJMJUHDRV-UHFFFAOYSA-N 439.559 2.122 0 40 IEAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 223893063 HRZWHIGTGBZZKI-CQSZACIVSA-N 436.555 2.429 0 40 IEAB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224800038 RKHPXTUKYCUDLJ-UHFFFAOYSA-N 439.486 2.479 0 40 IEAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1C[C@@H](O)[C@@H](Cc2cn3ccnc3cn2)C1 257221038 DNGONKLMFZTZQU-SUMWQHHRSA-N 444.417 2.160 0 40 IEAB Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)C[C@@H](Cc3cnccn3)C2)nn1C 257246683 IVHBENFIFWGILG-OAQYLSRUSA-N 433.560 2.134 0 40 IEAB CNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(NC(C)=O)cc2Cl)C1 257311919 ULPHFSDHDIKYOF-JOCHJYFZSA-N 443.935 2.412 0 40 IEAB Cn1c(CCCC(=O)N2C[C@@H](O)[C@H](n3ccc4cc(C(N)=O)ccc43)C2)nc2ccccc21 257319806 VUCGAYKSLRTACT-FGZHOGPDSA-N 445.523 2.394 0 40 IEAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 408705667 KVSXNMGJRZBOGZ-UHFFFAOYSA-N 425.532 2.121 0 40 IEAB Cc1cc(=O)c(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)nn1-c1ccccc1C(F)(F)F 533113923 HHVBKVQERRETLY-LBPRGKRZSA-N 433.394 2.093 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N(C)C)C12CCN(C(=O)N1CCOCC1)CC2 1549167671 QYNOZIGMMZVLCR-HXUWFJFHSA-N 442.560 2.009 0 40 IEAB COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)Cc2c(O)ncnc2O)cc1 1589411117 MRQRCLZXKRVMJA-QGZVFWFLSA-N 444.488 2.260 0 40 IEAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1 694582 WEAGPTPURRRNJG-QZTJIDSGSA-N 442.472 2.069 0 40 IEAB CCN(CC(=O)NC(C)C)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3409780 QQXYJOWHHPHMKF-UHFFFAOYSA-N 443.569 2.420 0 40 IEAB COc1ccc(NC(=O)CN2C(=O)N[C@](C)(Cc3ccc(OC)c(OC)c3)C2=O)cc1 3410530 XBGSTTDPJSUUGG-JOCHJYFZSA-N 427.457 2.204 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3cccs3)C2)cc1 9134567 NNFZKAVTEOVBOQ-MRXNPFEDSA-N 435.571 2.466 0 40 IEAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCN(C(C)=O)CC2)cc1 9301697 AAEBSUJKJNRTHR-MRXNPFEDSA-N 428.514 2.125 0 40 IEAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 9591272 HCCTZNWKFHTVEQ-TUPIDYKKSA-N 434.489 2.251 0 40 IEAB COc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 9645392 LZYXKPHXLXVMIQ-UHFFFAOYSA-N 443.569 2.443 0 40 IEAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccc2c(c1)OCO2 9761823 NGALUCRYTAYFKO-UHFFFAOYSA-N 437.408 2.155 0 40 IEAB CS(=O)(=O)c1cccnc1C1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC1 12144070 CSENVWPQSTVCBO-UHFFFAOYSA-N 441.513 2.269 0 40 IEAB Cc1nn(-c2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2C)c(C)c1C 12231949 GLOMSVOJXSKWMO-UHFFFAOYSA-N 430.871 2.385 0 40 IEAB CCn1c(=O)n(CC(=O)N2CCc3ccccc32)c2c(C(N)=O)nc(-c3cccs3)nc21 12236904 AVFMGRIQSDKSIJ-UHFFFAOYSA-N 448.508 2.030 0 40 IEAB O=C1CN(C(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c2ccccc2N1 12597225 VXJCHRYFAWFYBJ-OAQYLSRUSA-N 434.496 2.252 0 40 IEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCc1ccccc1OC(F)(F)F 12767232 NJDIIBKINRNGHO-UHFFFAOYSA-N 427.404 2.330 0 40 IEAB COc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1S(=O)(=O)N1CCCCC1 12776378 GZEUXZDALJSSDB-UHFFFAOYSA-N 448.545 2.141 0 40 IEAB COc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)ccc1NC(C)=O 13040634 IIAQYGZQKXTBCP-UHFFFAOYSA-N 445.419 2.330 0 40 IEAB COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)CC1 13612362 SNGYYLNUNKCLSL-UHFFFAOYSA-N 438.546 2.285 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 14107327 ZEPZLYBZRMHVQJ-UHFFFAOYSA-N 435.468 2.152 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 14413409 FXQAFVZIGOJUKZ-UHFFFAOYSA-N 433.530 2.084 0 40 IEAB CCn1c(=O)n(CC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c2ccccc21 14847391 RYWUGBIRAHEPMN-UHFFFAOYSA-N 435.528 2.042 0 40 IEAB Cc1cccc(-n2nnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1C 15109862 QYHNAWCDUIDUBZ-UHFFFAOYSA-N 426.458 2.448 0 40 IEAB CC(C)(C)C(=O)N1CCc2c(nc3cc([C@@H]4CCCN4C(=O)[C@@H]4CCCO4)nn3c2O)C1 19081561 XDJPKYLMPUHIQF-ROUUACIJSA-N 441.532 2.208 0 40 IEAB Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)[C@H]4CCOC4)[nH]c(=O)c3C2)s1 19217004 WAXBHYZBKZCCBL-YOEHRIQHSA-N 442.541 2.038 0 40 IEAB COC(=O)COc1ccc(OC)c(NC(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c1 19626956 QAAGRFAATXJBMS-UHFFFAOYSA-N 425.441 2.297 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(Cc3ccncc3)C1)C2=O 19699659 SSQMZOBEGIYUHL-NRFANRHFSA-N 447.539 2.273 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3OC)C1)C2=O 19700010 MIEKBBOWXCTGKK-KRWDZBQOSA-N 428.533 2.096 0 40 IEAB COc1ccc(CCCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 22334152 VYUBDUZTEAKRGM-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 24985580 WEVCZSZWZIICBR-UKRRQHHQSA-N 432.420 2.406 0 40 IEAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1Cl)N1CCOCC1 30595759 HKEVKTCDVNPHLB-ZDUSSCGKSA-N 437.743 2.114 0 40 IEAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1nnc2n(C)c(=O)c3ccccc3n12 31466704 CMUAEMMHLGXREA-UHFFFAOYSA-N 449.902 2.493 0 40 IEAB NC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 32045972 ZMSVYMHNOPWCIM-UHFFFAOYSA-N 435.933 2.407 0 40 IEAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 32882075 VPJFXFZVDXQXCF-LJQANCHMSA-N 440.887 2.249 0 40 IEAB COC(=O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 32900472 VPLHECSMMCBRJE-SFHVURJKSA-N 432.498 2.298 0 40 IEAB Cc1ccc(OCc2nnc3n(C)c(=O)c4cc(C)ccc4n23)c(S(=O)(=O)N(C)C)c1 48302868 MWYADERZVCUISA-UHFFFAOYSA-N 441.513 2.027 0 40 IEAB CCc1n[nH]c(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1C(=O)OC 48991634 ARVFPSUBNLRERB-UHFFFAOYSA-N 426.926 2.231 0 40 IEAB COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2cc(C)nc3ccccc23)CC1 56997896 XUAQLURDKFBOKN-UHFFFAOYSA-N 447.539 2.429 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)n(C)c1 58571973 BFOITHXVZRGUFW-UHFFFAOYSA-N 444.391 2.359 0 40 IEAB Cc1nc2nc([C@H]3CCCN(C(=O)c4ccn(C)c(=O)c4)C3)cc(C(F)(F)F)c2c(=O)[nH]1 72350882 XOMNEWJIINDYCU-ZDUSSCGKSA-N 447.417 2.364 0 40 IEAB Cc1noc(C)c1CN1CCC2(CC1)O[C@@H](C(=O)NCc1ccccn1)Cn1ccnc12 96243853 DUSDKCNFPKPJOV-HXUWFJFHSA-N 436.516 2.089 0 40 IEAB Cc1ccc(/C=C/S(=O)(=O)NCCn2nc(-c3cccnc3)n(C3CC3)c2=O)cc1 206641204 HASFQDMCWYYNKL-GXDHUFHOSA-N 425.514 2.340 0 40 IEAB O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220841390 CPPHTHPVPMULHT-MRXNPFEDSA-N 445.483 2.108 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)c1ccccc1F 224341211 WRMHYPCGGMWFLD-UHFFFAOYSA-N 429.901 2.287 0 40 IEAB O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 225310370 NMKLAZPPKRYGSW-UHFFFAOYSA-N 444.553 2.186 0 40 IEAB COc1cccc([C@]2(O)CCC[C@@H]3CN(C(=O)c4cnc(N5CCOCC5)nc4)C[C@H]32)c1 248187598 IZKDBIFUIBSLHB-NYQDVAGCSA-N 438.528 2.082 0 40 IEAB CCN1CCN(C(=O)Cn2cccnc2=O)[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 257220616 DLMHINASOUEWHC-LJQANCHMSA-N 436.537 2.274 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)c3c(C(C)C)noc3C)C2)nc2c1CN(C(C)=O)CC2 257250554 JMZKBNKPYXYMTP-OAHLLOKOSA-N 426.521 2.472 0 40 IEAB CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1CCN(C(C)=O)C2 257290540 QDJUPHGBIBUQOV-OAHLLOKOSA-N 447.536 2.049 0 40 IEAB CC(C)c1nnc(NC(=O)CN2[C@H]3CC[C@H]2CC2(C3)NC(=O)N[C@H]3OCCC[C@H]32)s1 257312259 UNBSZFCLDSRBDW-AYDFFVQHSA-N 434.566 2.031 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2cccc(C)c2)C1 408652649 GKQAKDQYJVMTLL-QGZVFWFLSA-N 439.468 2.069 0 40 IEAB Cn1cnnc1SCC(=O)Nc1cccc(C(=O)Nc2ccc(Cn3ccnc3)cn2)c1 557715274 QHDDFDDNCHMCLG-UHFFFAOYSA-N 448.512 2.438 0 40 IEAB CN(C)C(=O)C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)c2ccc(Cl)cc21 577207058 MTIFMUPZIPOVQM-CYBMUJFWSA-N 440.887 2.244 0 40 IEAB COc1cncc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)CN2CCN(C)CC2)c1 585105754 IVANSSUJDCSTFC-UHFFFAOYSA-N 436.556 2.399 0 40 IEAB COC[C@@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)[C@H]1CCCO1 1227424903 BJJHXIZSEUBEGH-BRSBDYLESA-N 443.466 2.427 0 40 IEAB O=C1C[C@H](N2CCC(O)CC2)C(=O)N1c1ccc(Br)cc1Br 8443819 QSHZJSLQFDFGSK-ZDUSSCGKSA-N 432.112 2.300 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9337483 SNOYFQWAXHNOET-MRXNPFEDSA-N 435.502 2.095 0 40 IEAB CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(Cc1cccnc1)c1ccc(Cl)cc12 9422696 CDMNTHPICIMVDF-LJQANCHMSA-N 429.889 2.437 0 40 IEAB COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(C5CCCC5)C(=O)[C@H]24)O3)cc(OC)c1OC 9435681 SYLGTYVHEITMHD-LPSTTYAQSA-N 428.485 2.376 0 40 IEAB CS(=O)(=O)c1cccc2sc(N3CCN(C(=O)COc4ccccc4)CC3)nc12 10337266 LJRKPHQNEYNNNC-UHFFFAOYSA-N 431.539 2.427 0 40 IEAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cnn1-c1ccccc1 10443625 HZAZVNFTTSXQJG-UHFFFAOYSA-N 428.489 2.467 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCCOc1cccc(Br)c1 10453346 XDEGIKCKNSORQU-UHFFFAOYSA-N 430.276 2.341 0 40 IEAB O=C(NCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029389 LYZGQUPUFQZUMR-QGZVFWFLSA-N 427.931 2.231 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccc(-c3cccs3)nn2)CC1 12443567 APWWDEBJDNYXMP-UHFFFAOYSA-N 444.538 2.487 0 40 IEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCCN1C(=O)c2ccccc2C1=O 12567457 XAABQTFSBXFOSE-HXUWFJFHSA-N 433.464 2.445 0 40 IEAB O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1F 12585120 WDIXEXYTPZTJOY-UHFFFAOYSA-N 434.898 2.301 0 40 IEAB NC(=O)c1nn(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(=O)c2ccccc12 12675869 NESFOPIOBHVZHF-GOSISDBHSA-N 448.479 2.020 0 40 IEAB CN(Cc1ccco1)C(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 14019575 SZTZKPGYPOIOJR-UHFFFAOYSA-N 427.526 2.398 0 40 IEAB Cn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)NCc1ccccc1 15019756 PQYHJILWILDJOM-UHFFFAOYSA-N 445.570 2.190 0 40 IEAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 18006090 ZMHLNZPIDQHJRR-CQSZACIVSA-N 427.432 2.047 0 40 IEAB Cn1nc(CC(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c2ccccc2c1=O 18948564 WDSWQITTYJTFDG-UHFFFAOYSA-N 446.463 2.333 0 40 IEAB Cc1cccc(-c2ccc(C[C@H]3CN(C(=O)CN4CSCC4=O)CCNC3=O)cc2)c1 19235408 CGCHSUHNNIYDRH-NRFANRHFSA-N 437.565 2.312 0 40 IEAB CC(C)n1c(=O)n(CC(=O)N2CCCCCC2)c2c(C(N)=O)nc(-c3cccs3)nc21 19454689 GZUNCGDWHNQPGQ-UHFFFAOYSA-N 442.545 2.404 0 40 IEAB O=C(c1cccnc1)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19696323 VBOGGZFZSVUDII-KRWDZBQOSA-N 438.509 2.377 0 40 IEAB CC(=O)N1CCC[C@H](c2nc(CN(C)CC(=O)Nc3ccccc3F)cc(N(C)C)n2)C1 19752034 BIUSBVJLVSCDGW-KRWDZBQOSA-N 442.539 2.478 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C)COC)cc1C 22247494 WMMMFOJMZKKQOH-XLIONFOSSA-N 434.558 2.434 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)COC)cc1C 22247497 WMMMFOJMZKKQOH-YLJYHZDGSA-N 434.558 2.434 0 40 IEAB CCc1ccc(-c2noc(CCC(=O)N3CCN(c4ncnc5c4cnn5C)CC3)n2)cc1 23463651 YGGGBOIXJAGSQV-UHFFFAOYSA-N 446.515 2.257 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1OC 26112143 SLBLJTKSGNUNSL-JXMROGBWSA-N 443.569 2.465 0 40 IEAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 32906657 FWNHLQUKCVDEIT-UHFFFAOYSA-N 437.280 2.496 0 40 IEAB C[C@@H](C(=O)N1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 34872845 FFBDUPNMMXLUAQ-HNNXBMFYSA-N 433.496 2.413 0 40 IEAB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 36229183 TYCTVQFEZIWKOU-HIFRSBDPSA-N 446.953 2.115 0 40 IEAB O=C([C@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccccc1)N1CCOCC1 40149877 JLJXSBUKQDYBBL-QGZVFWFLSA-N 444.431 2.464 0 40 IEAB O=C(O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058359 HRHMSDBNJRDUJU-RTBURBONSA-N 434.489 2.181 0 40 IEAB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2)c(C)o1 48326759 GFEDZOJPXXOLIE-UHFFFAOYSA-N 446.529 2.426 0 40 IEAB COc1ccc(CCN2CC(=O)N(c3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 56998030 XRBXLGJBKUXHIP-PMACEKPBSA-N 434.945 2.406 0 40 IEAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 61718505 DHGVRYKLVNILIC-IBGZPJMESA-N 441.484 2.270 0 40 IEAB CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(Cc3nc(-c4cccnc4)no3)C2)CC1 62022909 NVMODZAFCFSTNP-KRWDZBQOSA-N 442.520 2.081 0 40 IEAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccccc1Cl 67287302 LOVPEBNLJHSXOD-GOSISDBHSA-N 435.908 2.350 0 40 IEAB CN(Cc1ccccc1)S(=O)(=O)c1cncc(Br)c1N1CCNCC1 72210870 VYFYCKXSHDIEAJ-UHFFFAOYSA-N 425.352 2.074 0 40 IEAB C[C@@H](C(=O)N[C@H](C)c1cccs1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326413 RGTCSEANIHUMHU-YPENRWOSSA-N 427.530 2.273 0 40 IEAB O=C(Cn1nc2c(cc1=O)CCCCC2)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 96344462 MBDLJYSEGNCFPV-UHFFFAOYSA-N 435.450 2.275 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl 223330506 MQOGVHDKVUVSBS-UHFFFAOYSA-N 442.833 2.379 0 40 IEAB COc1ccccc1CCCNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 225839392 RMAYNOXJXZQXLX-UHFFFAOYSA-N 436.530 2.082 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccccc2)S3(=O)=O)cc1 225937994 VBGWBJZNPUMBCH-QVKFZJNVSA-N 430.482 2.176 0 40 IEAB CN(CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1)C1CCCC1 257216216 CTPFCFQOQXHISK-REWPJTCUSA-N 443.588 2.406 0 40 IEAB Cc1c(S(=O)(=O)N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C3CCCCC3)C2)cnn1C 257241698 HZERGQJERDGGPN-INIZCTEOSA-N 448.593 2.425 0 40 IEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)NCCc1ccc(F)c(Br)c1 517809458 SJCDZRAEXCOVCS-CYBMUJFWSA-N 436.347 2.244 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)NC[C@H](C)Oc2ccccc2Br)CC1 536083649 WMBWGNLJBNBPQD-ZDUSSCGKSA-N 448.383 2.330 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C)CC2)C12CN(Cc1ccccn1)C2 1549167929 RYLJLBWCPUCWJG-HSZRJFAPSA-N 447.583 2.058 0 40 IEAB COC(=O)[C@H]1COC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CN2C(=O)OCc2ccccc2)=N1 1857793889 QATIVSDPBZHEPZ-BBWFWOEESA-N 447.488 2.261 0 40 IEAB COc1ccc(OC)c(C(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)c1 932532 UJYZIMRXNJLZAZ-UHFFFAOYSA-N 432.502 2.007 0 40 IEAB COc1cccc(CN2C(=O)[C@@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)c1OC 2441656 RKKMVEZYLQOBKK-KRWDZBQOSA-N 427.335 2.242 0 40 IEAB O=C(OCC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1)c1ccccc1C(=O)c1ccccc1 8778240 MVIFIKWXLKDGMH-GOSISDBHSA-N 441.505 2.253 0 40 IEAB O=C(COc1ncnc2ccc(Br)cc12)N1CCN(C(=O)c2ccco2)CC1 8825247 DGTCZNBDLBDVGY-UHFFFAOYSA-N 445.273 2.349 0 40 IEAB Cc1ccc(N2CCn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1Cl 9156974 IVVDOSNQOLRIRO-UHFFFAOYSA-N 442.951 2.496 0 40 IEAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1 9377238 NNMXEPYGJPPDNC-LJQANCHMSA-N 445.541 2.163 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 9463750 LAMAYAUODXIJLD-UHFFFAOYSA-N 431.452 2.450 0 40 IEAB CNC(=O)[C@H]1CN(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc2O1 9547506 BKIKBBDBAGGIRN-VGOFRKELSA-N 437.496 2.135 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)Oc1cccc(C)c1 9789411 CVQHYEHRVHBFAA-INIZCTEOSA-N 434.514 2.431 0 40 IEAB Cn1c(CCC(N)=O)nnc1SCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 9875237 JLFHVVGKDKRONH-QGZVFWFLSA-N 437.525 2.492 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2cccc(Cl)c2)cc1 10111607 IBXIULNLUHTFQI-UHFFFAOYSA-N 425.938 2.222 0 40 IEAB COc1cc2nc(CSCC(=O)NC[C@@H](O)c3ccccc3)[nH]c(=O)c2cc1OC 11866080 WUSRIWXIRGJUBZ-MRXNPFEDSA-N 429.498 2.023 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 11999221 XHMFKUKUDAIWPY-UHFFFAOYSA-N 443.934 2.170 0 40 IEAB O=C(CN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)N1CC=C(c2ccccc2)CC1 12783396 CSBLNAGHUQDAHS-XMMPIXPASA-N 447.535 2.287 0 40 IEAB O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1S(=O)(=O)N1CCOCC1 12806155 ORFARWQWLKXXSH-UHFFFAOYSA-N 427.526 2.438 0 40 IEAB CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)O 12864138 YDEOZOCNAWLVML-XIRDDKMYSA-N 441.569 2.390 0 40 IEAB biogenic O=C(CSc1nnnn1Cc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13406354 REZVQSPFGQZGGB-SFHVURJKSA-N 436.497 2.107 0 40 IEAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCCC2)c1=O)COC(C)(C)C3 13593681 HNWWQGOOKHKLFU-UHFFFAOYSA-N 449.573 2.125 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2cc(C)cc(C)c2)cc1 13668577 CLGGQOBUOUGOGK-UHFFFAOYSA-N 429.542 2.108 0 40 IEAB O=C(CN1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1)N1CCOCC1 14141457 LAEBMYKLDGCKCC-UHFFFAOYSA-N 434.496 2.111 0 40 IEAB CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 14236311 MAGFMWAZQCDGIE-QFIPXVFZSA-N 441.509 2.202 0 40 IEAB COc1ccc(CCNC(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)cc1OC 15673418 PLDBQLWANRELNC-UHFFFAOYSA-N 447.488 2.065 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccccc2)CC1 16479806 KJXRXDIWGGEYSO-UHFFFAOYSA-N 443.569 2.194 0 40 IEAB O=C(CN1CCN(C2CCCC2)CC1)N1CCC(c2cc(=O)n3c(n2)CCCCC3)CC1 19292040 MKCAHMYTUXGKJF-UHFFFAOYSA-N 441.620 2.236 0 40 IEAB CNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)CCn2c(C)cc(C)nc2=O)C1 19703954 VLXJEJDAUYKUKU-OAHLLOKOSA-N 439.541 2.236 0 40 IEAB Cc1nn2c([C@@H]3CCN(C(=O)C4CCCC4)C3)ccnc2c1CN1CCC(C(N)=O)CC1 19707666 BFOFUXQVBIWESY-LJQANCHMSA-N 438.576 2.241 0 40 IEAB Cn1cc(C(=O)N2CCOCC2)c(CC2CCN(C(=O)CCc3ccccc3F)CC2)n1 19758639 UVIWSNDNYMURCI-UHFFFAOYSA-N 442.535 2.446 0 40 IEAB COc1ccc(CC(=O)N2CCC[C@@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cc1 19764130 JDAXMDZMOSROKT-LJQANCHMSA-N 438.528 2.215 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H]1CCCc2ccccc21 20020625 ODHDIZCLRUNYHE-NRFANRHFSA-N 430.526 2.280 0 40 IEAB COc1cc(CNC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc(OC)c1OC 22331212 LKHCHLLMEMAZPN-UHFFFAOYSA-N 442.921 2.448 0 40 IEAB C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)C(C)(C)C 23471590 RFTURZOZNPLRTJ-YMTOWFKASA-N 426.318 2.180 0 40 IEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)c1ccc3c(c1)OCCO3)C2=O 23701499 ZPDCKRRGHZRFCA-LFVRLGFBSA-N 444.484 2.321 0 40 IEAB COc1ccccc1OCC(=O)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28558760 QGIRLOIOZUGCRV-UHFFFAOYSA-N 436.468 2.137 0 40 IEAB CCCCCNC(=O)C1CCN(C(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 57992238 NQCSGOKFNWXJJZ-OAQYLSRUSA-N 442.564 2.319 0 40 IEAB O=C(NCc1ccco1)C1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 58156786 KOBCJDUXGRKZIM-UHFFFAOYSA-N 442.535 2.486 0 40 IEAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCS(=O)(=O)CC2)c1 65552459 ZZBDNJSVZSYADP-UHFFFAOYSA-N 425.510 2.478 0 40 IEAB Cn1nc([C@H]2CCCN(S(=O)(=O)Cc3cccc(F)c3)C2)n(-c2ccccc2)c1=O 77100629 BUQGNHMIOXVZTO-KRWDZBQOSA-N 430.505 2.420 0 40 IEAB O=C(c1ccc(S(=O)(=O)Nc2ccncc2)cc1)N1CCN(Cc2cccnc2)CC1 78336356 OIIBIVDOANFVDB-UHFFFAOYSA-N 437.525 2.235 0 40 IEAB COC(=O)COc1cc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)OC)ccc1OC 79191443 JEBTWFNKPFFSSA-WIYYLYMNSA-N 440.404 2.419 0 40 IEAB biogenic CCOP(=O)(CO[C@H](CO)Cn1ccc(NC(=O)c2ccccc2)nc1=O)OCC 85221681 WYJNVSZEUBNGND-INIZCTEOSA-N 439.405 2.097 0 40 IEAB COc1cc(CN(C)C(=O)CN(C2CCCCC2)S(C)(=O)=O)cc(OC)c1OC 226040403 KIFRUPQTEUOOPD-UHFFFAOYSA-N 428.551 2.265 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)C2CCCCC2)cc1OC 780675 REKKRNKSKZROIF-KRWDZBQOSA-N 440.562 2.322 0 40 IEAB Cc1coc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c(C)c3cc12 2103021 GVZIDNRFXYCKGT-FQEVSTJZSA-N 428.441 2.040 0 40 IEAB biogenic CCN1CCN(c2nc3nnnn3c3sc4c(c23)CCN(Cc2ccccc2)C4)CC1 2326737 FQROGSBWLOYEOU-UHFFFAOYSA-N 434.573 2.434 0 40 IEAB CC(C)(C)c1ccc(NC(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)cc1 3327838 QKFFBPHVTUXQRQ-UHFFFAOYSA-N 429.498 2.205 0 40 IEAB C[C@@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 4001746 UWRANEOUFWFWAI-OAHLLOKOSA-N 447.513 2.079 0 40 IEAB Cc1cc(=O)n2c(n1)NC(N1CCN(c3ncccn3)CC1)=N[C@@H]2c1ccc(Cl)cc1 9289382 SHUCYYZVUPAEBJ-SFHVURJKSA-N 436.907 2.146 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)CC1 9384208 NIWVYGPZMVIZER-UHFFFAOYSA-N 426.502 2.208 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CSc3nnnn3Cc3ccccc3)ccc21 9663143 MBLVNGBNPANSHZ-UHFFFAOYSA-N 443.554 2.409 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)c(OC)c1 9674536 XNLBAXWRHRTOHM-MSOLQXFVSA-N 443.847 2.289 0 40 IEAB COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccc(Cl)cc2)n(C)c1=O 12231799 SUQPIPJHDPOAJY-UHFFFAOYSA-N 442.907 2.047 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(C(N)=O)nc(-c3ccco3)nc21 12276821 HTYFEBYXOWDRTE-UHFFFAOYSA-N 427.367 2.133 0 40 IEAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc(Cc3cccs3)n[nH]2)cc1 12872980 YDMNKMAHVMOWJX-UHFFFAOYSA-N 437.572 2.438 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1c(F)cccc1F 12878872 ACXLCTWYQCLXQC-UHFFFAOYSA-N 435.496 2.399 0 40 IEAB COC(=O)Cn1c(=O)n(CCc2ccccc2)c(=O)c2sc3c(c21)COC(C)(C)C3 13608236 HULXNNIQUBKICL-UHFFFAOYSA-N 428.510 2.492 0 40 IEAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CCOC3)[nH]c(=O)c2C1 19238673 LLHPURFMCDPYMB-QAPCUYQASA-N 428.558 2.398 0 40 IEAB CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(C(=O)c2cnccn2)CCO1 19529321 WAYPMHRPTVTGKL-DEOSSOPVSA-N 431.496 2.129 0 40 IEAB COc1ccc(OC)c([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C)CC2)c1 19589823 CATPCSZPOTUKAD-OAQYLSRUSA-N 426.496 2.215 0 40 IEAB C[C@@]12CCN(S(=O)(=O)N3CCOCC3)[C@@H]1CCCCC(=O)N2Cc1ccc(F)cc1 19713695 SDWVCIAPBBOTAP-TZIWHRDSSA-N 439.553 2.138 0 40 IEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)COC(=O)c1cccc(CS(C)(=O)=O)c1 22068873 WZXFYTONJIPBCZ-UHFFFAOYSA-N 441.509 2.232 0 40 IEAB CCOc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1OCC 23134166 APFVDZGFSMLXLG-UHFFFAOYSA-N 436.516 2.418 0 40 IEAB CCS(=O)(=O)c1ncc(Br)c(C(=O)Nc2ccc(OC)cc2OC)n1 27743096 CAUHILBKVMGBOT-UHFFFAOYSA-N 430.280 2.302 0 40 IEAB O=C1CCCc2cc(S(=O)(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)ccc2N1 32915923 OKQBOWBILKVZBF-UHFFFAOYSA-N 427.482 2.411 0 40 IEAB CCOC(=O)[C@]1(O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(OC)cc2)NC(=S)N1C 37224382 ZWLBDSMSFMWCMC-KGVIQGDOSA-N 428.510 2.307 0 40 IEAB CS(=O)(=O)N1CC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)Oc2ccc(Cl)cc21 38858826 RRDCLEWRMPVCPC-KRWDZBQOSA-N 438.889 2.302 0 40 IEAB CCOC(=O)C1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(OCC)c(C)c2)CC1 39986256 WMRFAQGXPXCPCN-UHFFFAOYSA-N 440.562 2.206 0 40 IEAB CN1Cc2cccc(C(=O)N3CCC4(CC3)C[C@@]3(CO4)NC(=O)c4ccccc4N3)c2C1=O 72325249 IEKZBCAVZSAEPD-VWLOTQADSA-N 446.507 2.219 0 40 IEAB CN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)CN(C)C(=O)c1ccco1)c1ccccc1O2 72327766 BZNSYSWQKIYQHI-UZUQRXQVSA-N 425.485 2.373 0 40 IEAB COc1ccc(C2(CNC(=O)CCCc3nnc4ccc(OC)nn34)CCOCC2)cc1 72403285 BWTIUJXDXMRQLW-UHFFFAOYSA-N 439.516 2.329 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222435500 XIKGKYSAVSMWGC-UHFFFAOYSA-N 433.530 2.409 0 40 IEAB Cc1ccc(CS(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224310472 JEFHJOTWHCVPJL-UHFFFAOYSA-N 438.571 2.278 0 40 IEAB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(F)c(Cl)c1 225249106 UGPAONRHJDIRHV-CYBMUJFWSA-N 428.869 2.201 0 40 IEAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)[C@@H](Cc2cccc(-c3ccc(OC)cc3)c2)C1=O 257226537 FLAVBEWSJIFZLR-QFIPXVFZSA-N 446.507 2.361 0 40 IEAB CCn1cnc2cc(NC(=O)C[C@H]3CCCN(C(=O)Cn4nc(C)ccc4=O)C3)ccc21 257254098 KBORBDNERMHIGE-QGZVFWFLSA-N 436.516 2.189 0 40 IEAB CC(=O)c1ccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1 575616029 NRSGEDXEJOYGMK-UHFFFAOYSA-N 425.411 2.079 0 40 IEAB CSCC[C@@H](NC(=O)c1c(-n2cnnn2)sc2c1CCC2)c1nnc2ccccn12 583652680 BOPPVYSMUINFMR-CYBMUJFWSA-N 440.558 2.479 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)c1 2087050526 DOTMUOSDMDCMAO-HZPDHXFCSA-N 444.557 2.048 0 40 IEAB O=C1NC2(CCSCC2)C(=O)N1Cc1cn(Cc2ccc(Br)cc2)nn1 2298061988 YDFVBVJTPSTPFV-UHFFFAOYSA-N 436.335 2.407 0 40 IEAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCO)c(=O)cc1[C@@H](NC(C)=O)CC2 1595470 WMGVUPQJTLLFOE-KRWDZBQOSA-N 428.485 2.267 0 40 IEAB biogenic COc1ccc(-n2c(S[C@@H](C)C(=O)NC(N)=O)nc3ccccc3c2=O)cc1OC 2618537 SXZVAUUNCMFLLD-NSHDSACASA-N 428.470 2.078 0 40 IEAB CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(O)cc1 2701440 UOWINGWUTJYXBF-KRWDZBQOSA-N 433.464 2.321 0 40 IEAB Cn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1nncs1 9289805 OHKGFPLKVUOXRM-UHFFFAOYSA-N 437.938 2.023 0 40 IEAB Cc1nn(CC(=O)Nc2ccc3c(c2)OCCCO3)c(C)c1S(=O)(=O)N1CCCCC1 9532599 IWXAGNJKJZCPIP-UHFFFAOYSA-N 448.545 2.475 0 40 IEAB Cc1ccccc1-n1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O 9633347 XFKIECRSFVTSJP-OAHLLOKOSA-N 443.550 2.090 0 40 IEAB COCCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2nn(-c3ccccc3)c(=O)c-2c1 9661573 UCFJVHLESACSFO-UHFFFAOYSA-N 446.463 2.444 0 40 IEAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 10256096 JZBNKFYGZJZHBP-FQEVSTJZSA-N 427.526 2.179 0 40 IEAB O=C(c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F)N1CCCc2ccccc21 12031305 XSMCJTXVBZBDJW-MRXNPFEDSA-N 437.514 2.380 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)OCc3cccnc3)CC2=O)cc1 12553790 QYEIMYNPVSUOAN-QGZVFWFLSA-N 431.514 2.208 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@H]3COc4ccccc4O3)c2)C[C@@H](C)O1 13126711 PQWRSSWBHXARSP-JZXOWHBKSA-N 446.525 2.054 0 40 IEAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1NS(C)(=O)=O 13680645 RWXYGBNFPITNGT-UHFFFAOYSA-N 437.543 2.403 0 40 IEAB Cc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 16024923 NLFUYJWZMXQUOT-PUFAWVJESA-N 433.508 2.462 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(OC)c3)C1)C2=O 19700030 GXUMWRLMQVWHDS-IBGZPJMESA-N 442.560 2.025 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1 20038561 BPLVSYQJJBTBKB-SFHVURJKSA-N 444.557 2.074 0 40 IEAB O=S(=O)(Nc1cccnc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 20108144 OUBHGMUSIMFABY-UHFFFAOYSA-N 447.494 2.454 0 40 IEAB CCc1ccc(C(=O)N2CCN(CCOc3ccc(S(=O)(=O)N(C)C)cc3)CC2)cc1 23148166 JLWFSFNYEHKHNU-UHFFFAOYSA-N 445.585 2.336 0 40 IEAB Cc1ccccc1-n1nnnc1SCC(=O)NCc1ccc(CN2CCOCC2)cc1 23881869 ZYQYBTIDQUZILO-UHFFFAOYSA-N 438.557 2.211 0 40 IEAB O=C(O)[C@@H](Cc1cc2ccccc2[nH]1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 30834192 FESZYFZYMGTYTD-LJQANCHMSA-N 427.482 2.269 0 40 IEAB COCCNC(=O)C1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 32754395 WMLLABRDIPGXJU-UHFFFAOYSA-N 425.533 2.163 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCc3ccccc3C2)o1 40088739 WCDHPBCFGIEIIC-KRWDZBQOSA-N 432.498 2.194 0 40 IEAB CCCSc1ncc(Br)c(C(=O)NCCCC(=O)NCCCOC)n1 46085592 FKGDCWXFYSJEOB-UHFFFAOYSA-N 433.372 2.404 0 40 IEAB CCOc1ccc(N2C(=O)CN(Cc3ccccc3OC)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408311 HSDZESONKYKBLB-VQTJNVASSA-N 430.526 2.108 0 40 IEAB COc1ccc(CNC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1OC 67197212 HRXCACFDXHMBMH-UHFFFAOYSA-N 449.463 2.138 0 40 IEAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1cccc(N2CCOC2=O)c1 69415896 OTIPTTJYNIBXAX-UHFFFAOYSA-N 430.486 2.157 0 40 IEAB NS(=O)(=O)CCN1CCN(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)CC1 72308803 DOCCFYWJMLBLMZ-UHFFFAOYSA-N 447.992 2.144 0 40 IEAB C[C@]12CCC(=O)N1[C@H](C(=O)NCCN1C(=O)S/C(=C/c3ccccc3)C1=O)CS2 96585718 JPNQDLUKJCIILE-JRWMNSLISA-N 431.539 2.293 0 40 IEAB CCOC(=O)[C@@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3ccc(OCC)cc3)NC(=O)N2)C1 106615675 UTOKUDLUBBLBBZ-UZLBHIALSA-N 445.516 2.141 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OC)cc2)C1 138869585 XWCYWPDLELTSKI-MRXNPFEDSA-N 440.452 2.407 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)c(OC)c1 223991175 ORUCAHGKISIVCB-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 224519647 KDMNWUOUZSSLPZ-UHFFFAOYSA-N 431.558 2.228 0 40 IEAB Cc1nc(N2CCC(NC(=O)Cn3c(=O)oc4ccccc43)CC2)cc(C(F)(F)F)n1 225725460 PLCKQNFPULAFDU-UHFFFAOYSA-N 435.406 2.497 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1 225743459 YSTNKTTWCAOLPJ-UHFFFAOYSA-N 445.520 2.267 0 40 IEAB Cn1ccc2cc([C@H](O)CNS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)ccc21 240122581 WDKGPXPSZGSSNB-HXUWFJFHSA-N 425.510 2.026 0 40 IEAB COc1ccc(CN2CC[C@]3(C2)Cn2c(nnc2C(=O)NC2CCCCC2)CN3C)cc1 306141627 WCFNALFOIWQMLJ-DEOSSOPVSA-N 438.576 2.439 0 40 IEAB CC[C@H](C)[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@H](n4cnc5ccccc5c4=O)C(=O)N1[C@@H]23 514288195 UUHMOOKGLMRCGV-ZULCPQLNSA-N 444.491 2.159 0 40 IEAB biogenic,in-vitro C[C@@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 589055650 JXKMCSHEHYZXNW-CHWSQXEVSA-N 434.480 2.039 0 40 IEAB CCCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O 3297447 ONOBWXKGSPCCHX-UHFFFAOYSA-N 440.525 2.476 0 40 IEAB O=C1N[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1Cc1ccco1 3626785 MAVKLWBXIVDCOG-AWEZNQCLSA-N 437.783 2.222 0 40 IEAB CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2cccc(OC)c2)nc1C 6599640 CNKMTFKVIBXURN-UHFFFAOYSA-N 434.503 2.343 0 40 IEAB Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 8849933 QYXDUPQJEQUQCF-PCIUKOCSSA-N 435.546 2.148 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)C(=O)O2)cc1 9072181 RCZRBWXQZGJASB-MRXNPFEDSA-N 437.905 2.346 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 9165790 CLRMEAXFUKUOKA-RTBURBONSA-N 430.526 2.061 0 40 IEAB CC(C)N(CCn1c(SCC(=O)N2CCNC2=O)nc2ccccc2c1=O)C(C)C 9691828 ZRPGJAQTEWFRTM-UHFFFAOYSA-N 431.562 2.159 0 40 IEAB COC(=O)Cn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc(NC(C)=O)ccc21 9809217 WQLRDDRJIVJHHP-JHGXHUTESA-N 441.465 2.102 0 40 IEAB O=C(OCc1cc(=O)n2ccsc2n1)c1cccc(S(=O)(=O)N2CCCCC2)c1 11442296 IORZRMLUZNNSPN-UHFFFAOYSA-N 433.511 2.288 0 40 IEAB CCCn1nc(C)c(C(=O)N2CCC[C@H]([C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)c1C 12232973 YVNHCOIEIBVEPK-OXJNMPFZSA-N 431.562 2.492 0 40 IEAB COc1cccc(CN(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3cccs3)n2)c1 12470492 NKGYSNHHDZZDOZ-UHFFFAOYSA-N 442.545 2.354 0 40 IEAB CCOc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 12536857 KIGWORKYMGEIAM-OAQYLSRUSA-N 425.485 2.150 0 40 IEAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(S(=O)(=O)NC2CC2)cc1 13260094 NRGOQVXTGCTJGN-IBGZPJMESA-N 427.482 2.034 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCNC(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)n2)cc1 13604425 YTMRNHJLOQSVKC-OAHLLOKOSA-N 437.452 2.231 0 40 IEAB COc1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 15924942 BWFYKVZLNDKZJN-IAGOWNOFSA-N 448.541 2.302 0 40 IEAB CC(=O)Oc1cccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)c1 16735550 CZLQLNLUKDDKKJ-WQRHYEAKSA-N 439.880 2.228 0 40 IEAB COC[C@@H](C)NC(=O)CN1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 19124157 KOVQZPCOVFSXSA-IAGOWNOFSA-N 426.521 2.332 0 40 IEAB COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)CCn4cnnn4)C3)cc2)cc1 19558232 QVVVANNFJPOJLU-DEOSSOPVSA-N 448.527 2.076 0 40 IEAB Cc1cccn2cc(C(=O)N[C@H]3CCc4ccc(S(=O)(=O)N5CCOCC5)cc43)nc12 19749518 SVCPLZBIKVQLSJ-IBGZPJMESA-N 440.525 2.081 0 40 IEAB CCOc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OCC 20034950 DWUROJZGPULHJZ-FQEVSTJZSA-N 434.514 2.327 0 40 IEAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(c2cc(-n3cccn3)ncn2)CC1 23144478 IPXYKCRRIAMUCQ-UHFFFAOYSA-N 439.328 2.480 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 24709762 CXGNSANPWZNINV-QFIPXVFZSA-N 443.525 2.099 0 40 IEAB CS(=O)(=O)NCCc1ccc(-c2csc(CC(=O)NCc3ccco3)n2)s1 26163866 AWKRBNABFUXTAF-UHFFFAOYSA-N 425.557 2.415 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 32753072 RYHKXMPLEKFWQK-OXQOHEQNSA-N 448.516 2.311 0 40 IEAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 35289637 SIPLPROEYSEGSG-CQSZACIVSA-N 446.920 2.355 0 40 IEAB O=C(NCC1CCN(C(=O)c2ccccc2F)CC1)C(=O)Nc1ccc2c(c1)OCCO2 43944122 DOOZYPKQNJXEBH-UHFFFAOYSA-N 441.459 2.204 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(CN2CCCC2=O)cc1 44902697 RVSRIQQYLWERMO-UHFFFAOYSA-N 427.526 2.262 0 40 IEAB CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)NC[C@H]1CCCO1 46027622 SJGOBJYQWAMSJY-QGZVFWFLSA-N 431.558 2.346 0 40 IEAB CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 46810542 UPYCBKKTYYKMJX-UHFFFAOYSA-N 432.517 2.358 0 40 IEAB O=C1CN(c2ccc(NC(=O)N(C[C@H]3CCCO3)C[C@H]3CCCO3)cc2Cl)CCN1 48325589 ZATVACXSIVOBAW-IAGOWNOFSA-N 436.940 2.468 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)CNC(=O)CC3CCCC3)CC2)c1C 58230496 VAYSJMHCNZRUBJ-UHFFFAOYSA-N 449.617 2.450 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 58450326 OSACASPMVUNPJQ-UHFFFAOYSA-N 442.463 2.114 0 40 IEAB COc1ccc(CCNC(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 70933759 BVYMAJKQPMXAAW-UHFFFAOYSA-N 432.546 2.033 0 40 IEAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1CC(=O)NCc1ccc2c(c1)OCO2 71327474 AHKGCABBNNFRGX-UHFFFAOYSA-N 429.383 2.162 0 40 IEAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 78902797 SOSBPNOOIKUHMU-AWEZNQCLSA-N 427.910 2.078 0 40 IEAB CCCn1cc(NC(=O)C(=O)N[C@H](CC(=O)OC)c2ccc(Br)cc2)cn1 79111202 SOGMCIQHYNOGNZ-OAHLLOKOSA-N 437.294 2.415 0 40 IEAB CNC(=O)CN1CCN(CC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)CC1 96124616 QYTZPBINQSNZNE-LJQANCHMSA-N 449.511 2.067 0 40 IEAB CCOc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@@H]32)cc1 101169096 CMKAPXBCMPNDGP-QZTJIDSGSA-N 429.383 2.295 0 40 IEAB CCN(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 103970129 ZLNXVGDJZVVCNF-REWPJTCUSA-N 441.553 2.143 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)C[C@@H](C)O1 106565807 MTTQKRKVNLVPMF-FGTMMUONSA-N 447.557 2.390 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3OCC(=O)OC(C)C)C2=O)o1 107805361 FYDGWODETFHGSP-YBEGLDIGSA-N 442.424 2.490 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1 138826818 USAKYDLSVDYHOG-ZDUSSCGKSA-N 445.859 2.024 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222431864 ZYSWPSDIQDWFKG-GOSISDBHSA-N 431.558 2.087 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O 223518935 RZAWSMAXBWEKFP-QGZVFWFLSA-N 447.557 2.015 0 40 IEAB Cc1cccc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1C 223952067 OVGOGJOUFPNHSA-UHFFFAOYSA-N 445.585 2.189 0 40 IEAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224063451 NBHGGLQGLKNNQK-LJQANCHMSA-N 445.585 2.357 0 40 IEAB Cc1ccc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@H]3CS2(=O)=O)c(Br)c1 245237544 MRNZVSGECNSPIT-SQWLQELKSA-N 444.351 2.103 0 40 IEAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)C2)on1 253600551 SBOSVFAJZBHCFC-KUVPCWQVSA-N 449.511 2.177 0 40 IEAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(OCCCN)cc3)C2)c2cnccc2n1 257339454 ZBUVVKUHGOYNJX-VWLOTQADSA-N 449.555 2.427 0 40 IEAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(CC(=O)N1CCCc3ccccc31)CC2 257343901 ZUVIMYZCAYXHOT-IBGZPJMESA-N 448.571 2.192 0 40 IEAB C[C@@H](C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1ccccc1F)S(C)(=O)=O 260943029 SUJICOAHJXWCNN-KGLIPLIRSA-N 442.534 2.261 0 40 IEAB O=C(NCC[C@H]1CCOC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2)c1ccncc1 306124176 BIHDOZFLGIWGJX-NRFANRHFSA-N 435.524 2.387 0 40 IEAB CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccc(OC)cc3)C1=O)OCO2 409100325 UMRJSUKGPNUJKR-LZYBPNLTSA-N 439.424 2.354 0 40 IEAB CCc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)cc1 409122593 ABUAGUJRGKESFC-UHFFFAOYSA-N 439.559 2.050 0 40 IEAB CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)c2cc(=O)n(C)c3ccccc23)CC1 501137635 VLNZBYPSZMWGME-QHCPKHFHSA-N 444.535 2.274 0 40 IEAB Cc1cc(C)cc(C(=O)N2CC[C@]3(CCc4nnc(C(=O)NCCN(C)C)n4CC3)C2)c1 585106804 SKLFOKDKRDSPPO-DEOSSOPVSA-N 438.576 2.055 0 40 IEAB CC(C)C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C1CCOCC1)CC2 643581663 OGCURJVEVCBLKV-NRFANRHFSA-N 437.625 2.485 0 40 IEAB Cc1cc2c(c(=O)o1)[C@@]1(C(=O)Nc3ccccc31)C(C(=O)OCc1ccccc1)=C(N)O2 705603 AZXZHKJFJFDRAZ-XMMPIXPASA-N 430.416 2.493 0 40 IEAB biogenic Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)N1CCCCC1 3234347 FOZJKKLTMFZYSE-UHFFFAOYSA-N 445.541 2.361 0 40 IEAB NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 3420273 LVHQPCGWQYJIBP-INIZCTEOSA-N 444.340 2.222 0 40 IEAB Nn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1cccc(F)c1 3445168 IZXLFEQDNLVHPZ-UHFFFAOYSA-N 428.493 2.365 0 40 IEAB CCOC(=O)[C@@H]1CC[C@H](OC(C)=O)[C@H](O[C@@H]2C[C@H](C(=O)OCC)CC[C@@H]2OC(C)=O)C1 4768917 VLXPZNOTDZLAIO-XRNRSJMDSA-N 442.505 2.330 0 40 IEAB COc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 6074366 WVQYNIQVSVZLBT-UHFFFAOYSA-N 440.479 2.436 0 40 IEAB O=C(CSc1nnc(CNC(=O)c2ccc(F)cc2)o1)NCc1ccc2c(c1)OCO2 9518593 HOUWGHOBIQATLJ-UHFFFAOYSA-N 444.444 2.276 0 40 IEAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCc3ccc(F)cc3)c2=O)cc1 9660601 TUQWEIBJMYUCNP-UHFFFAOYSA-N 448.454 2.071 0 40 IEAB O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccncc1 9669059 LRVOIQXMSSSTEA-UHFFFAOYSA-N 439.493 2.365 0 40 IEAB Cc1ccc2nc(COC(=O)CCNS(=O)(=O)c3ccc(C)c(C)c3)cc(=O)n2c1 9986787 LWGSMOJJLJVCHH-UHFFFAOYSA-N 429.498 2.032 0 40 IEAB Cc1nn(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)c(C)c1C 12231918 GPNFMEURYIBKKK-UHFFFAOYSA-N 430.871 2.385 0 40 IEAB CCc1[nH]c(C(=O)N(CCOC)Cc2nc3ccccc3c(=O)[nH]2)c(C)c1C(=O)OC 12849050 KJMTVXQEJPTNKA-UHFFFAOYSA-N 426.473 2.197 0 40 IEAB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NC(=O)NCc1ccccc1 12998527 DIWBWMCSIWRHMP-UHFFFAOYSA-N 438.267 2.292 0 40 IEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCn1nc(-c2cccs2)oc1=O 13127709 MJVITEXVOGCGSC-UHFFFAOYSA-N 425.470 2.240 0 40 IEAB COc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ncccc32)cc1 16954119 LRMBISHJNPERBQ-UHFFFAOYSA-N 430.464 2.448 0 40 IEAB CC(=O)N1CCCN(CC(=O)N2C[C@@H](c3csnn3)[C@H](c3ccc(C)cc3)C2)CC1 19211935 IFMCBEDPQSRMFH-VQTJNVASSA-N 427.574 2.110 0 40 IEAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C3CCCCC3)[nH]c2=O)C1 19520447 OYICWDRHMGEYBC-SFHVURJKSA-N 436.578 2.112 0 40 IEAB C[C@H](OC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)C(=O)NC1CCCCC1 19628552 MRJACJKWKABRPE-JKSUJKDBSA-N 447.557 2.228 0 40 IEAB NC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)CN2CCCCCC2=O)C1 19739220 FDLZSBXHIBESFH-QHCPKHFHSA-N 430.549 2.371 0 40 IEAB Cc1nc([C@@H]2CCCN2C(=O)Cn2cccn2)nc2c1CC(=O)N2CCc1ccccc1 19744164 MDKFRMHOGSKWLU-FQEVSTJZSA-N 430.512 2.477 0 40 IEAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)NCCCn2ccnc2)cc1 22231368 AZZNTTSVQFLYJL-UHFFFAOYSA-N 442.541 2.435 0 40 IEAB Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)nn1-c1ccccc1 23817559 VUTOLVHIULEGJX-UHFFFAOYSA-N 432.480 2.228 0 40 IEAB O=C(Cc1csc(Cc2ccccc2)n1)N1CCN(S(=O)(=O)c2cccnc2)CC1 25148347 CNPIHFVTSRWLLL-UHFFFAOYSA-N 442.566 2.205 0 40 IEAB CC(C)C(=O)N1CCN([C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)CC1 25436445 FUNOQGQRFALNEJ-YADHBBJMSA-N 427.570 2.431 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)CC1 27748323 YZYVZGDTMQKDIN-UHFFFAOYSA-N 429.542 2.407 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)Oc2ccccc21 30944723 FAPOWMQSRJMUAF-FNNXTJRKSA-N 441.553 2.071 0 40 IEAB O=C(NCc1cccc(N2CCCC2=O)c1)c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F 32312429 LWXDWXRJEJAYAF-UHFFFAOYSA-N 446.389 2.031 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 32753069 RYHKXMPLEKFWQK-JXFKEZNVSA-N 448.516 2.311 0 40 IEAB Cn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nc2cc(S(N)(=O)=O)ccc21 32946755 HBLOQYXMJVUSEL-UHFFFAOYSA-N 430.433 2.369 0 40 IEAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc3c(c2)OCO3)cc1 35289215 INBZGYXAOCQKOC-UHFFFAOYSA-N 426.454 2.239 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCc3ccccc3C2)o1 40088738 WCDHPBCFGIEIIC-QGZVFWFLSA-N 432.498 2.194 0 40 IEAB Cc1oc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 48260680 GUTSHIOSJVHESR-UHFFFAOYSA-N 447.557 2.209 0 40 IEAB COC(=O)C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(OC)c(OC)c1 48312911 KTHPFTGECVKZMV-QZTJIDSGSA-N 447.532 2.352 0 40 IEAB O=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)NC[C@H]1CCN(c2ccccc2)C1 60734464 SXHRQPAVNPDBMP-OAHLLOKOSA-N 437.418 2.053 0 40 IEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N[C@@H]1CN3CCC1CC3)NC2=O 72339233 JZPKEUKJIURZGC-VEEBSXHGSA-N 425.529 2.160 0 40 IEAB CCn1c(C2CCN(C(=O)c3cc(-c4ccccc4)nn3C)CC2)nn(CCOC)c1=O 77147148 YZUKXYPWSARTNX-UHFFFAOYSA-N 438.532 2.131 0 40 IEAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CO)c1ccccc1 79019879 MEBKKBCPVDGIMB-MJGOQNOKSA-N 429.542 2.176 0 40 IEAB COc1cc(-c2c3cnn(C(C)C)c3nc3c2sc(=O)n3CC(N)=O)cc2c1OCO2 85412745 IVKSHCZJQSURIF-UHFFFAOYSA-N 441.469 2.278 0 40 IEAB CS(=O)(=O)N1CCC(CNC(=O)CSCc2cc(-c3cccs3)on2)CC1 89484470 SNRLIEBRPMDMIE-UHFFFAOYSA-N 429.589 2.424 0 40 IEAB CCN(CC)CCNC(=O)c1ccc2nnc([C@H]3CN(Cc4ccccc4)CCN3C)n2c1 96156637 ZXMRTYKVLOQWCO-JOCHJYFZSA-N 449.603 2.290 0 40 IEAB CCOC(=O)c1ccc(C)c(N(CC(=O)OC)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 224844365 USGFZIGBKWDXPJ-UHFFFAOYSA-N 449.481 2.311 0 40 IEAB CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225116443 BMKYWXPKPCVIOJ-UHFFFAOYSA-N 425.434 2.379 0 40 IEAB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 225713710 SUAGQYVMSHZKGH-XMMPIXPASA-N 437.496 2.101 0 40 IEAB COC1CCN([C@H]2[C@H](NC(=O)c3ccc(C)cn3)C[C@@H](Oc3ccccc3)[C@@H]2O)CC1 257205083 AXOHBEATBDELNA-LUKWVAJMSA-N 425.529 2.180 0 40 IEAB COCCN1C[C@]2(CCN(C(=O)c3ccc(C)s3)C2)Oc2ccccc2S1(=O)=O 306126225 DPYAQCHUGWZMCA-HXUWFJFHSA-N 436.555 2.371 0 40 IEAB C[C@H]1CN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)CCN1c1nccn2cnnc12 534766169 MUXMIBBFQOCJEN-HNNXBMFYSA-N 442.470 2.188 0 40 IEAB O=C(C[C@H]1Cc2c(O)nc(=O)n(Cc3ccco3)c2NC1=O)Nc1ccc(Cl)cc1 1548338380 WFDKBUHWUMKITC-LLVKDONJSA-N 428.832 2.383 0 40 IEAB COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(C)C(=S)N2CCc2ccccc2)cc1 2223126 POIFPJWWMBNHFP-GOSISDBHSA-N 425.510 2.472 0 40 IEAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 4355117 PWHHLLSJOAWOAM-DWKCODDLSA-N 448.516 2.080 0 40 IEAB CC[C@@H](C)N(C(=O)COC(=O)COc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 6551762 ZDOPPSSOIJLPOH-QZTJIDSGSA-N 425.547 2.348 0 40 IEAB O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1 8769303 ZUWCQOANQBXUTJ-UHFFFAOYSA-N 438.503 2.071 0 40 IEAB O=c1[nH]c(CN2CCN(C(=S)NC[C@H]3CCCO3)CC2)nc2sc3c(c12)CCCC3 8941023 OAICGUFEVDNTAN-CQSZACIVSA-N 447.630 2.035 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C[C@]34C=C[C@H]2O4)cc1OC 9304545 FOSYIVZCKGXOGG-BBNRHVKASA-N 434.492 2.349 0 40 IEAB CN(C(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)[C@H]1CCS(=O)(=O)C1 9435454 MWHNAALZJOOLDY-INIZCTEOSA-N 427.478 2.484 0 40 IEAB biogenic COc1ccc(NC(=O)[C@@H](C)NC(N)=O)cc1S(=O)(=O)Nc1ccccc1Cl 9487217 VFLUNOVQDBIMOA-SNVBAGLBSA-N 426.882 2.145 0 40 IEAB CCCc1cc(=O)oc2c(C)c(OCC(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 9510543 RNWUBUSJPDKFHI-UHFFFAOYSA-N 444.509 2.397 0 40 IEAB COc1ccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 9742892 BCXSSASWLOAMJD-SFHVURJKSA-N 445.541 2.383 0 40 IEAB Cc1ccc(CNC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 9746461 UJVBQIBADGHHQG-SFHVURJKSA-N 449.598 2.422 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(F)ccc3OC)n2)cc1 9844513 VPHAABIFKLNGIB-UHFFFAOYSA-N 433.461 2.045 0 40 IEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)C2=O 9913122 AGZSJBLZOHTGLB-HJPURHCSSA-N 426.517 2.364 0 40 IEAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)Nc1ccc(N2CCOCC2)cc1 10036897 OYKAZMUGXXGPBT-UHFFFAOYSA-N 430.468 2.058 0 40 IEAB CC[C@@H](C)NC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 11021482 BKFMNVNIRKNBPR-CQSZACIVSA-N 440.591 2.084 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3ccccc3OC)CC2)cc1 11191938 ILHJJBPHQQHGHV-UHFFFAOYSA-N 434.514 2.052 0 40 IEAB O=C(NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21)c1ccc(F)c(F)c1 12071708 DQAQSKOUYOVRTI-UHFFFAOYSA-N 427.386 2.489 0 40 IEAB Cc1nc(N2CCOCC2)sc1C(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 12222922 NKHKFEWFHLWUEE-UHFFFAOYSA-N 441.557 2.305 0 40 IEAB O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)Nc1ccc2c(c1)OCCO2 12230957 LSPJCWMXAMMVRX-UHFFFAOYSA-N 440.427 2.469 0 40 IEAB CN(CCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br)c1ccccc1 12526880 BSSJAFRVTPTLJX-UHFFFAOYSA-N 426.336 2.353 0 40 IEAB CC(C)c1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 12875140 QKDWPQGLHGLVRQ-INIZCTEOSA-N 429.542 2.422 0 40 IEAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 12974553 CQKLVOLRGVWDSD-CYBMUJFWSA-N 434.468 2.269 0 40 IEAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccco2)[C@H]2CCS(=O)(=O)C2)c1 13070773 SMPALXYEMQAAQK-LBPRGKRZSA-N 433.891 2.009 0 40 IEAB Cc1ccc(N2C(=O)N(CN3CCN(S(=O)(=O)c4ccccc4)CC3)C(=O)[C@H]2C)cc1 13097753 IIPJWFBVPZWGGC-GOSISDBHSA-N 442.541 2.116 0 40 IEAB CC(=O)c1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCCO4)C2=O)c1 13118137 FDFMVEGSZAULJG-HSZRJFAPSA-N 437.452 2.456 0 40 IEAB O=C(NCc1ccc(Cl)cc1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 13139652 FWOUZRNEKCOGOQ-RDJZCZTQSA-N 429.325 2.434 0 40 IEAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 13575730 BHLUDKRHIAQNSG-MLJKTZRHSA-N 442.946 2.412 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 15523561 ZDCONXLTPLSLSY-UHFFFAOYSA-N 441.513 2.235 0 40 IEAB COc1ccc(CN2C(=O)[C@@H]3[C@H](C(C)C)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 16033918 GWCLICKBCFVVME-XHOYROJHSA-N 437.471 2.411 0 40 IEAB C[C@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 16869319 DBBLOJBWJVFITP-JSGCOSHPSA-N 435.523 2.498 0 40 IEAB COc1cc([C@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO)[C@@H]2CO)cc(OC)c1O 18272247 WKDDUPJDCWIWAP-GKHNXXNSSA-N 436.457 2.162 0 40 IEAB biogenic,in-vitro CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(C)c3)[nH]c(=O)c2C1 19520405 GJYLWDVDMUKQCQ-IBGZPJMESA-N 444.557 2.154 0 40 IEAB CN1CCN(c2nccc(CN3CCC[C@@H]3c3nc(Cc4ccc(F)cc4)n[nH]3)n2)CC1 19590153 KGMHPGICAKYTDJ-HXUWFJFHSA-N 436.539 2.414 0 40 IEAB COc1cccc(CC(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1 19692774 CJEPCGYKBDVJNM-HXUWFJFHSA-N 434.500 2.151 0 40 IEAB CNc1nc([C@@H]2CCCN2C)nc2c1CCN(C(=O)CC1(NC(C)=O)CCCCC1)C2 19707122 XNOICPCRXRTZAI-IBGZPJMESA-N 428.581 2.399 0 40 IEAB COc1ccc(OC)c(CC(=O)N2CC[C@H](c3ncccc3C(=O)N3CCOCC3)C2)c1 19708033 BXBGZHJGPMXEQT-KRWDZBQOSA-N 439.512 2.130 0 40 IEAB O=C(NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)c(F)c1F 22227350 AMZXXSRQNMGCGC-UHFFFAOYSA-N 428.432 2.097 0 40 IEAB O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 24602166 JWOBFQZEPWKBQE-GOSISDBHSA-N 436.537 2.242 0 40 IEAB Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1C[C@@H]1CCCO1 35279535 DTZIYHCBNORZDW-FQEVSTJZSA-N 445.585 2.473 0 40 IEAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3ccccc3OC)c(COC)nn12 40372715 WOCFJZKONLAEBP-UHFFFAOYSA-N 428.445 2.229 0 40 IEAB CCCCCNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1 48368883 ZAGYIKARNSNNFO-FQEVSTJZSA-N 430.528 2.449 0 40 IEAB CC[C@@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)O 101412579 QWAQVSQFHMTKIR-IAQYHMDHSA-N 440.547 2.429 0 40 IEAB CCOC(=O)c1cnn2c(-c3cccc(N4C(=O)[C@@H]5[C@@H]6CC[C@H](O6)[C@@H]5C4=O)c3)ccnc12 102016210 OUQYAYDPARSMDI-CADBVGFASA-N 432.436 2.240 0 40 IEAB COCCNS(=O)(=O)Cc1cccc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)c1 223239242 VMNWJULTMAHUFB-NRFANRHFSA-N 431.514 2.274 0 40 IEAB CC[C@H](NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 224861327 BLBHYOPJJIOGQZ-IBGZPJMESA-N 438.571 2.119 0 40 IEAB COc1ccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1S(=O)(=O)N(C)C 226044925 FGAFEAUVGZMFJJ-UHFFFAOYSA-N 442.497 2.257 0 40 IEAB O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 1528352645 ZDDVJOMGNRUKTG-ZDUSSCGKSA-N 437.518 2.244 0 40 IEAB CC(C)NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1 1328948 LLJBNOWIMSJFBM-UHFFFAOYSA-N 429.970 2.102 0 40 IEAB CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)O 2138353 XMYXETUGOQCYNJ-PMACEKPBSA-N 448.479 2.180 0 40 IEAB biogenic O=C1Nc2ccc(Cl)cc2/C1=c1/sc2n(c1=O)CN(c1ccc(Cl)cc1)CN=2 2256298 WTSUYKAUXBAJEE-NXVVXOECSA-N 431.304 2.423 0 40 IEAB O=C(CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21)Nc1ccc(Br)cc1 2787406 FSXUHGWFCJPYNT-CVEARBPZSA-N 428.246 2.381 0 40 IEAB Nn1cc(-c2ccccc2)nc1SCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 8719237 WSZHFPDPXKGSQL-UHFFFAOYSA-N 425.470 2.476 0 40 IEAB COc1ccc(Cl)cc1NCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 8762736 YIPPCMMICNMCBM-UHFFFAOYSA-N 442.701 2.350 0 40 IEAB COc1ccc(N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC 9438493 FCCJVYFZBSSILV-OAHLLOKOSA-N 449.529 2.164 0 40 IEAB Cc1cc(C(=O)COC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C)n1C1CC1 10021639 VEFZMZMIFXNBSO-CYBMUJFWSA-N 429.498 2.293 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc1OC 10213423 WSQLEUVADBFSDM-UHFFFAOYSA-N 426.516 2.435 0 40 IEAB Cc1cc(O)n2nc(C3CCN(C(=O)[C@H](C)c4n[nH]c(=O)c5ccccc45)CC3)cc2n1 12134153 NRDNFGJEHXXKRH-CQSZACIVSA-N 432.484 2.490 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCC[C@@H]1c1cccn1C 12818151 DQEZKZAMJUPRAE-OAQYLSRUSA-N 430.574 2.392 0 40 IEAB CCc1nnc2ccc(N3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)nn12 13848108 UBKHWBJUXXNUEE-UHFFFAOYSA-N 440.451 2.216 0 40 IEAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)C(C)C)CC1 15997057 OYPDPMMOPWYHGV-SJORKVTESA-N 441.569 2.390 0 40 IEAB Cc1c(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 17303365 VBALEPUHTDCZCM-AWEZNQCLSA-N 440.525 2.447 0 40 IEAB COc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc(I)c1O 18053706 NGARPEOYKNLFAV-AWEZNQCLSA-N 435.225 2.451 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)cc1F 19214507 PWNDABZXCSFHPP-UHFFFAOYSA-N 445.520 2.400 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)Cc3csc(NS(C)(=O)=O)n3)C2)c2sccn12 19240757 SMLXJAPTIMFUGR-LBPRGKRZSA-N 439.588 2.481 0 40 IEAB CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N(CCO)CCO)ncnc4c23)CO1 20029339 YESMKNHWUYCETC-UHFFFAOYSA-N 443.573 2.482 0 40 IEAB COc1cc(CNC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(OC)c1OC 22329503 WZZDUINXKUUGOA-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB CC(C)NC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)CC1 22930123 RUOPXLUIIFLCLR-UHFFFAOYSA-N 437.516 2.169 0 40 IEAB COc1ccccc1CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 26747531 NFPZZIHAXMILTL-UHFFFAOYSA-N 427.276 2.267 0 40 IEAB COc1cc(OC)cc(C(=O)Nn2c(C)c3c(=O)n(-c4ccc(F)cc4)[nH]c3cc2=O)c1 30822956 FADSYBZLMWZYHW-UHFFFAOYSA-N 438.415 2.329 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)c3cc4ccccc4n3C)CC2=O)c1 32070046 OUZMIMXZGCZLIA-KRWDZBQOSA-N 434.496 2.086 0 40 IEAB CCCCN(CC(N)=O)S(=O)(=O)c1cc(Br)ccc1Br 32927422 PFOMZPSBPKJSGO-UHFFFAOYSA-N 428.146 2.488 0 40 IEAB C#CCOc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1[N+](=O)[O-] 33740974 XXMJDSRPAJYDSB-UVTDQMKNSA-N 425.353 2.079 0 40 IEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)C2=O 40040059 GGMCFKJPGQDTEQ-WNSKOXEYSA-N 427.501 2.314 0 40 IEAB O=C(Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O)Nc1ccc(Cl)cc1F 49409042 HBDYVWLNHCIOTR-UHFFFAOYSA-N 427.885 2.454 0 40 IEAB CC(C)CN(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCS(=O)(=O)C1 57463117 IOVDTYRZMWCEPF-IBGZPJMESA-N 427.998 2.134 0 40 IEAB COc1cc(OC)cc([C@@H](NC(=O)[C@H]2CCCN(c3cnccn3)C2)c2nccn2C)c1 58162760 LGVNYOPFMZGOOE-HRAATJIYSA-N 436.516 2.350 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCCCC3)CC1)NC2=O 72327465 JTCRXZZNYQGLCR-WNSKOXEYSA-N 429.517 2.364 0 40 IEAB Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)CC2)on1 72396437 ZBAFSEXHWPTQKR-SFHVURJKSA-N 433.468 2.314 0 40 IEAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)no1 96010161 BQLPIYDNWGGSFG-SJCJKPOMSA-N 436.921 2.396 0 40 IEAB COCCn1nnc2ccc(NC(=O)CC3(n4cccc4)CCSCC3)cc2c1=O 96223297 ULTBJFQSDLOJPV-UHFFFAOYSA-N 427.530 2.491 0 40 IEAB CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cnc(OC)nc2)C3)c(OCC)n1 100149769 ROWCQWDNVHGFNW-IAGOWNOFSA-N 429.521 2.192 0 40 IEAB O=C(CCC(=O)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)NCCSc1ccccc1 100741096 QUYWAFXAEUQLJA-QZTJIDSGSA-N 425.554 2.483 0 40 IEAB biogenic NC(=O)COc1ccc(C2=NO[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)cc1 102898523 UIAYFEOAWYWAJN-CVDCTZTESA-N 431.404 2.225 0 40 IEAB COc1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 107221535 BBUVGXPRIDSBEC-QGOAFFKASA-N 427.482 2.381 0 40 IEAB COc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)cc1 138668840 LCCRRIUNPGXZRY-CQSZACIVSA-N 428.441 2.247 0 40 IEAB CN(C)CCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 223400507 KDPHILFMROWKPN-UHFFFAOYSA-N 438.362 2.327 0 40 IEAB COc1ccccc1C=c1sc2nc(-c3cc(OC)c(OC)c(OC)c3)nn2c1=O 254834805 KYKDFMAWENIXBT-UHFFFAOYSA-N 425.466 2.400 0 40 IEAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1 408611547 XLAIBEGDUPGHDI-INIZCTEOSA-N 434.514 2.431 0 40 IEAB O=C(NC1CCN(c2ccccn2)CC1)[C@H]1CCCCN1S(=O)(=O)c1cccs1 514446038 IFPABFSWERMEFD-QGZVFWFLSA-N 434.587 2.472 0 40 IEAB O=C(N=c1[nH][nH]c2cc(O)ccc12)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 647799034 SHKZXVKZAWIROR-UHFFFAOYSA-N 446.393 2.002 0 40 IEAB O=C1NC2(CCN(S(=O)(=O)c3ccccc3)CC2)[C@H]2CN(Cc3ccccc3)C[C@@H]12 2056225085 BHWDOVWZTNGZEJ-RTWAWAEBSA-N 425.554 2.088 0 40 IEAB Cc1ccc(CN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)S(C)(=O)=O)cc1 784270 NPLCVAJTJDICPA-UHFFFAOYSA-N 429.542 2.299 0 40 IEAB NC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 2642233 SFNULSAOVRXFRG-OAQYLSRUSA-N 445.475 2.309 0 40 IEAB CCN1C(=O)C(=C(C)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C(=O)N(CC)C1=S 9127000 IIKKSFZJFUPCEF-UHFFFAOYSA-N 438.575 2.055 0 40 IEAB COCCn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4OC)c(C)c(C)n23)n(C)c1=O 9297143 ZYHVABIPCLQTQR-UHFFFAOYSA-N 431.880 2.064 0 40 IEAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O 9502916 RPXAPBCSJLFZAZ-UPCLLVRISA-N 437.496 2.406 0 40 IEAB Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 9594116 VJTCBESJXPZDNX-VHXPQNKSSA-N 448.504 2.356 0 40 IEAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccccc4)c(-c4ccccc4)cn23)n(C)c1=O 9713203 VFGBYWPBGPELMK-UHFFFAOYSA-N 443.463 2.369 0 40 IEAB CCOc1ccccc1N1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 9950479 AUNWECDDWNUOFH-HXUWFJFHSA-N 449.617 2.166 0 40 IEAB COc1ccc(-n2nnnc2SCC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 11621061 ARUZLIHMTQUNSI-UHFFFAOYSA-N 441.513 2.365 0 40 IEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3Cc2ccccc2)CC1 11689675 YELANLJFHVBWNI-UHFFFAOYSA-N 445.497 2.106 0 40 IEAB O=C(CN1CCN(c2ccccn2)CC1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 13117408 NYIRMWIRURWSOR-UHFFFAOYSA-N 431.422 2.442 0 40 IEAB COC(=O)COc1c(I)cc(C=O)cc1I 13914102 RPOIOXGRSYMSKT-UHFFFAOYSA-N 445.978 2.260 0 40 IEAB CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)[C@@H]4CCCO4)nn3c(O)c2C1 19085912 YQUTYBAHQKPTSV-OALUTQOASA-N 441.532 2.208 0 40 IEAB CCC(CC)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)c1ccnn1CC)CC2 19500183 ZFXDOTSUWBLAMZ-SFHVURJKSA-N 440.548 2.285 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19695716 RCIKCTWJCQPOOU-FQEVSTJZSA-N 435.528 2.454 0 40 IEAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c(OC)c1 22610380 OXXAKSFNBXBHSX-AWEZNQCLSA-N 441.488 2.088 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 23651564 FVHZJSREZHPITM-UHFFFAOYSA-N 431.514 2.100 0 40 IEAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1CC(=O)N[C@]1(C)CCS(=O)(=O)C1)OCCO3 36389939 NOXRABLQBYWTMH-KSFYIVLOSA-N 448.585 2.340 0 40 IEAB CN(CCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br)Cc1ccccc1 40047687 VUQODSAWDGJJQR-UHFFFAOYSA-N 440.363 2.348 0 40 IEAB CCCCN(C(=O)c1ccc(C)c(NC(C)=O)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 40129314 JTZZRSSBPUXJKT-UHFFFAOYSA-N 429.521 2.489 0 40 IEAB Cc1ccc(N2CCN(C(=O)c3cn(-c4cc(N5CCSCC5)ncn4)cn3)CC2)cc1 49411326 VAFJYMCOSFZEPC-UHFFFAOYSA-N 449.584 2.486 0 40 IEAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)C1 95938974 WAMMGZAGNOFIGQ-CYBMUJFWSA-N 425.507 2.038 0 40 IEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)CC1 223425972 YTVBSWWEMNGXTA-UHFFFAOYSA-N 429.564 2.466 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223526768 IYWQASSOEYRXSU-MRXNPFEDSA-N 435.521 2.145 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223785007 LWROMUTUGMOXAD-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB Cc1cccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c1C 224715977 PUKDNUHJHLYXSW-UHFFFAOYSA-N 445.585 2.218 0 40 IEAB Cc1nccn1C[C@]1(O)CN(C)CCN(C(=O)c2ccnc(Oc3cccc(F)c3)c2)C1 257320406 VWQSUMNBQHMARK-HSZRJFAPSA-N 439.491 2.337 0 40 IEAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccccc1Cn1ccnc1C 257343935 ZUZUGDNEBRIMGI-DEOSSOPVSA-N 445.567 2.355 0 40 IEAB O=C(NC[C@@H]1CC[C@]2(COCCN(Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 306129953 ISGBEDFNZSJXKA-DHLKQENFSA-N 447.539 2.447 0 40 IEAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)c1 408645049 JNNSSTNKJFGENY-OAHLLOKOSA-N 425.441 2.188 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 408656150 INXDTGCWJFAUHB-CQSZACIVSA-N 428.441 2.247 0 40 IEAB COC(=O)c1cccc([C@H](C(=O)OC)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 553977973 VQTDYJWDXRUFFW-NJNPRVFISA-N 438.480 2.196 0 40 IEAB C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1nc2ccccc2s1 1146987508 VSAXUAOYLHLFFM-BLLLJJGKSA-N 428.489 2.216 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC)nc3C)c(=O)n2[C@H]1c1ccccc1 648931 KNWBBOROFDBNFY-YWFITGJYSA-N 436.537 2.323 0 40 IEAB CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 3875403 JLZAERUVCODZQO-VWCUIIQSSA-N 446.540 2.469 0 40 IEAB biogenic,in-vitro O=C([C@H]1CCCN1C(=O)c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8882561 RMFVZPVRONOGNX-GOSISDBHSA-N 447.582 2.027 0 40 IEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CN1C(=O)N[C@@]2(CCOc3ccccc32)C1=O 8966376 DFYFUFZONMUPRX-XMMPIXPASA-N 445.479 2.061 0 40 IEAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCc2ccc(Cl)cc2)n1 9038129 BQTQKZABLBMDKK-UHFFFAOYSA-N 428.880 2.125 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(OC)cc3OC)CC2)cc1 9676760 PERONBJZUMVQPS-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1 9714357 FUYXGMRPSROGCZ-UHFFFAOYSA-N 444.967 2.437 0 40 IEAB CCCNC(=O)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 9754395 QFGSLIRAUHVCQZ-CYBMUJFWSA-N 449.495 2.137 0 40 IEAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3ncccc32)cc1 11613199 QUNXSZOMPYMJTK-UHFFFAOYSA-N 449.492 2.265 0 40 IEAB CCn1cc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cc(Cl)ccc3OC)=C2)c(C)n1 12155656 KHQLPVVSVJNSLD-UHFFFAOYSA-N 437.909 2.375 0 40 IEAB CS(=O)(=O)c1ccc(CC(=O)N2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 12668650 YYYMBXAZQLITTO-UHFFFAOYSA-N 426.498 2.484 0 40 IEAB C[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)Nc1ccc(C(N)=O)cc1 12885722 XXYCYBBIXYSVDN-AWEZNQCLSA-N 441.459 2.347 0 40 IEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 13018293 XEZDIGCWYFXVIK-OAHLLOKOSA-N 438.484 2.432 0 40 IEAB COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 13085104 CNAIEAGFKKNPAE-JOCHJYFZSA-N 437.540 2.472 0 40 IEAB O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccccc2N1 14345483 HLZKSUNDQQUIOY-KRWDZBQOSA-N 433.917 2.299 0 40 IEAB O=C1[C@H]2CCC[C@@H]1CC(C(=O)N1CCN(S(=O)(=O)c3c(F)cccc3F)CC1)C2 15326936 WVTKIOXIUYJAFE-YIONKMFJSA-N 426.485 2.193 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)CC1 15861414 PVVBIZAZNSFXCV-ZDUSSCGKSA-N 432.546 2.343 0 40 IEAB NC(=O)c1ccc(NC(=O)COc2cccc3ccc(N4CCC(C(N)=O)CC4)nc23)cc1 17170554 IMAVXTUCBKDNKM-UHFFFAOYSA-N 447.495 2.053 0 40 IEAB C[C@@H](NC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)c1cccs1 19459681 SMIXIHUYAWAHCU-IVZQSRNASA-N 427.526 2.499 0 40 IEAB CCCN1CCN(C(=O)c2n[nH]c(=O)[nH]2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19503187 QCYUXKIFFBUCNH-LJQANCHMSA-N 433.512 2.318 0 40 IEAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 19708721 PQKIWLRNPVOUNI-HNNXBMFYSA-N 431.562 2.083 0 40 IEAB COc1ccc(S(=O)(=O)N2CCO[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)cc1C 19762146 VGLGDUQWHBKRCK-OAQYLSRUSA-N 441.509 2.413 0 40 IEAB Nc1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(Nc2ccc(F)cc2)n1 19899235 IINLIVOMRAHMMV-UHFFFAOYSA-N 437.479 2.383 0 40 IEAB CCN1CCN([C@@H](c2cc3ccc(OC)cc3[nH]c2=O)c2nnnn2C2CCCC2)CC1 19940375 QWRHVGZRZYEBRM-NRFANRHFSA-N 437.548 2.365 0 40 IEAB CC(C)Cn1c(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)nnc1N1CCOCC1 21621368 ZGAOMDBBBSVKOS-OAHLLOKOSA-N 444.561 2.237 0 40 IEAB COc1ccc(COC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC 22094915 XSTZOZQZBFLHJD-HXUWFJFHSA-N 444.528 2.128 0 40 IEAB CC[C@H]1CCCCN1CCCNC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 22532192 MYUSUXHKAZCNSV-KRWDZBQOSA-N 428.574 2.209 0 40 IEAB COC(=O)C1=C(CSc2nnc(-c3ccco3)n2N)N(C)C(=O)N[C@@H]1c1ccccc1 23103577 KFJSMXOYJOKMLR-MRXNPFEDSA-N 440.485 2.167 0 40 IEAB COc1ccc(CN(C)C(=O)CCCNC2=NS(=O)(=O)c3ccccc32)c(OC)c1 23154489 VNNWKMKVRCJKEK-UHFFFAOYSA-N 431.514 2.181 0 40 IEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 23221573 MQKKSTJRLOIBMF-OAHLLOKOSA-N 425.422 2.395 0 40 IEAB CCOc1ccc(N2C(=O)/C(=C\N[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)cc1 24014600 HOEHIDVOPNLMSJ-HYTQYMIGSA-N 426.494 2.390 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Br)c1 32094063 LQXZGSKNQPSGNA-DFBGVHRSSA-N 446.367 2.289 0 40 IEAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc(C(N)=O)cc1 32738648 GMMUVYCKKICHPM-GFCCVEGCSA-N 433.461 2.167 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N(C)Cc1cnc(C)s1 48339734 LENNDCBDGXGDBT-LBPRGKRZSA-N 426.564 2.169 0 40 IEAB COc1nn(C)cc1C(=O)N1CCC[C@H](C(=O)NCc2ccccc2OC(F)(F)F)C1 49030593 USPGSVPHOXRETL-AWEZNQCLSA-N 440.422 2.496 0 40 IEAB COc1ccccc1NC(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O 57505731 YSQSWQFQTBJXLV-UHFFFAOYSA-N 444.495 2.409 0 40 IEAB CCCc1nnc2c(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n12 57522614 NIFKTLTZMLYBGO-UHFFFAOYSA-N 448.502 2.485 0 40 IEAB CCOC(=O)[C@@H]1CCc2sc(NC(=O)C3CN(C(=O)COc4ccccc4F)C3)nc21 70815072 AFZVWZSYJNAEKM-CYBMUJFWSA-N 447.488 2.351 0 40 IEAB CC1CCN(C(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)CC1 71772578 FORWHLRGDXWOIP-KRWDZBQOSA-N 446.573 2.218 0 40 IEAB CC(C)C[C@]1(C)CC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 72293924 SGLLOKFLQQKFHH-OAQYLSRUSA-N 435.546 2.221 0 40 IEAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OCC(N)=O)c(OC)c1 79188850 FEQOZWRQPASHRV-RXVVDRJESA-N 439.420 2.122 0 40 IEAB biogenic Cn1ncnc1COc1ccc(S(=O)(=O)N(C[C@H](O)c2ccc(F)cc2)C2CC2)cc1 95461943 SZCVFFUNLLXVSH-FQEVSTJZSA-N 446.504 2.420 0 40 IEAB O=C(Nc1nc(-c2cccnc2)cs1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96395785 MKVFBKBVDFCVMK-UHFFFAOYSA-N 433.501 2.431 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O 220227167 CBHWDOBPNIBXCO-CYBMUJFWSA-N 436.486 2.284 0 40 IEAB COc1ccc(CN(C(=O)Cc2ccc(OC)c(OC)c2)[C@H](C)C(=O)NCCCO)cc1 222958955 LQTDVWXWJGYXFT-QGZVFWFLSA-N 444.528 2.171 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2Cl)no1)Cc1ccccc1 223547161 YGQXRMSEHPNAKS-UHFFFAOYSA-N 434.905 2.468 0 40 IEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1cccc(CN2CCCCC2)c1 224659442 GJZKYOWGZWEGTG-UHFFFAOYSA-N 427.526 2.133 0 40 IEAB Cc1cccc(Nc2cc(C)nc([C@@H]3CN(C(=O)CCN4CCOCC4)CCO3)c2)n1 257225744 FHOSVVNXHYXZCS-NRFANRHFSA-N 425.533 2.459 0 40 IEAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cccc(F)c2)c1 408573805 OKIHRYSVZYPRCJ-UHFFFAOYSA-N 430.505 2.491 0 40 IEAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408653314 FEGZUJKZTGHLRQ-KHDMTIDOSA-N 440.496 2.427 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 408677063 AFEWLSSVMHUDOI-UHFFFAOYSA-N 448.497 2.445 0 40 IEAB CCOC(=O)c1sc2nc(CN(C)C)nc(N(C)CCCN3CCN(C)CC3)c2c1C 518883834 WESUSYSVXXSNTP-UHFFFAOYSA-N 448.637 2.312 0 40 IEAB COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)C2=O)cc1 524731008 GLFWTRKKRAAJPV-ROUUACIJSA-N 439.468 2.331 0 40 IEAB biogenic O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1ccc(F)cc1 3302909 SHFJQXYMBCOYGN-UHFFFAOYSA-N 446.456 2.370 0 40 IEAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCC(C)CC3)cc2c1 4537602 NZIIRJYPRCZQPE-FQEVSTJZSA-N 426.521 2.381 0 40 IEAB CCOCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C 8706134 QKDIFVNPTGHNAA-QGZVFWFLSA-N 438.532 2.355 0 40 IEAB CN(CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)Cc1ccccc1N1CCCC1 8725909 SQXPCXPVEAAJBR-DEOSSOPVSA-N 435.528 2.217 0 40 IEAB CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1 9001067 QBIMIUISXVBAQC-UHFFFAOYSA-N 431.452 2.039 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1ccc3c(c1)OCCO3)n2CCC 9127861 DVVYLJPDEGKYTO-UHFFFAOYSA-N 442.472 2.225 0 40 IEAB COc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)c(OC)c1 9526753 SMTOAIFLHPSIBA-UHFFFAOYSA-N 436.512 2.362 0 40 IEAB CCN(C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)[C@@H]1CCS(=O)(=O)C1 9952048 PNKNEDKZDQIBPL-GOSISDBHSA-N 448.566 2.087 0 40 IEAB COc1ccc2c(CC(=O)NCc3ccccc3S(=O)(=O)N3CCOCC3)coc2c1 11226927 HCVKRYJZLBZLML-UHFFFAOYSA-N 444.509 2.321 0 40 IEAB COC(=O)c1ccc(O[C@@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)c(OC)c1 12781548 UGPMEIXJFJLGCG-JTQLQIEISA-N 440.374 2.421 0 40 IEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(Cl)cc1N1CCCC1=O 12917488 DGXSVHXVOWCBCF-UHFFFAOYSA-N 435.933 2.446 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)N(C)C 13038685 LAJOCXIHGRGEPV-ZRDIBKRKSA-N 429.542 2.308 0 40 IEAB CC(C)(C)NC(=O)CC1(C(=O)OCC(=O)NCC(=O)Nc2ccc(F)cc2)CCCC1 14190350 JJMQYHBNHJTDMV-UHFFFAOYSA-N 435.496 2.289 0 40 IEAB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCC[C@@H](C(=O)N2CCOCC2)C1 14554674 IFWSUXKEDACGSG-GOSISDBHSA-N 446.507 2.097 0 40 IEAB O=C(Nc1ccccc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)N2C1 15707595 VMFSINKQPHTHCU-VWPQPMDRSA-N 447.539 2.119 0 40 IEAB biogenic,in-vitro CN1CCN(C(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)[C@H](c2ccccc2)C1 19751178 HJMOWQWUMACWGI-QFIPXVFZSA-N 436.556 2.426 0 40 IEAB Cc1nc(C)c(C(=O)N2CCO[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)o1 19759589 ISAOVVRYFQUFPJ-FQEVSTJZSA-N 438.484 2.118 0 40 IEAB Cc1nc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc(-n2cccn2)n1 23144529 RHUFMNZVVNRKIM-UHFFFAOYSA-N 426.424 2.380 0 40 IEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O)(C3)C2 32776032 ZJNFQBCJGFGPSD-MZGDJFHXSA-N 433.530 2.192 0 40 IEAB COc1ccccc1[C@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1nccn1C 32842447 YOLHNCQVUHOFCC-FQEVSTJZSA-N 440.525 2.488 0 40 IEAB C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 37222217 DMKZGSVSHGLZAT-JLEDNIFVSA-N 431.602 2.466 0 40 IEAB Cc1cc(C)cc(OCCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1 224076184 KNIWCHMCQUCANL-UHFFFAOYSA-N 432.542 2.442 0 40 IEAB CN1CCN(c2nccc(CN3C[C@@H]4CCC[C@](O)(c5ccc(F)cc5)[C@H]4C3)n2)CC1 248150811 UCOUXTFXVNJXJE-OEOAZWSVSA-N 425.552 2.487 0 40 IEAB Cc1nc(CN2CC[C@@]3(CN(C(=O)c4ccncc4)C[C@@H]3c3cn(C)cn3)C2=O)cs1 306131650 KLBRGZNEXJVJRS-GCJKJVERSA-N 436.541 2.239 0 40 IEAB CCCN1C(=O)N/C(=C/c2cc(OC)c(OCC(=O)OC)cc2Br)C1=O 409234403 ZUIONWCIFICAGP-WUXMJOGZSA-N 427.251 2.312 0 40 IEAB O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575614295 YPEBOZCRAHNUBN-OAHLLOKOSA-N 435.406 2.206 0 40 IEAB COCCn1cnc2c(N3C[C@H]4CN(C(=O)Nc5c(F)cccc5F)C[C@@H]4C3)ncnc21 1888941723 IEHYJYVXSSTAAC-KBPBESRZSA-N 443.458 2.351 0 40 IEAB O=C(N[C@]1(C(F)(F)F)C(=O)O[C@@H]2CCC[C@@H]21)NS(=O)(=O)c1ccccc1Cl 2492088 XBANLHASJIBGNH-HNXYLICVSA-N 426.800 2.355 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)sc2c1CCC2 3542218 YLKKSPULWZDQPP-UHFFFAOYSA-N 443.485 2.264 0 40 IEAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)C(=O)NCC1CCCCC1 7219962 JFULHIGLKYIQPO-OAHLLOKOSA-N 427.592 2.280 0 40 IEAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(N3CCN(c4ccccc4F)CC3)N2)cc1 8758304 VJSLWEBOHOIELY-IBGZPJMESA-N 437.475 2.034 0 40 IEAB COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1OC 9224687 MJRATHGSTNUGAZ-UHFFFAOYSA-N 428.536 2.361 0 40 IEAB O=C(Nc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9302973 NPAMHDCIIYHURT-INIZCTEOSA-N 428.514 2.248 0 40 IEAB COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1 9306171 FKRZDCSZWHDFKQ-KRWDZBQOSA-N 441.513 2.018 0 40 IEAB C[C@@H]1CCN(C(=O)COC(=O)c2sccc2S(N)(=O)=O)c2ccccc2S1 10936108 SLISAEGJNVVALH-LLVKDONJSA-N 426.541 2.470 0 40 IEAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 11665847 GCXUXDVYQDCCTH-MRXNPFEDSA-N 447.474 2.466 0 40 IEAB CCCn1nc(C)c(C(=O)N2CCC[C@H]([C@H]3Nc4ccccc4S(=O)(=O)N3)C2)c1C 12232982 YVNHCOIEIBVEPK-JXFKEZNVSA-N 431.562 2.492 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2)C(C)C)CC1 12551517 CGAXVSXAZLVCGS-NRFANRHFSA-N 431.558 2.347 0 40 IEAB O=C(CN1CC=C(c2ccccc2)CC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12732412 PKMUVNJSXNARDV-DEOSSOPVSA-N 447.535 2.287 0 40 IEAB CC(=O)Oc1cc(C(=O)OCC(=O)NCC2CCCCC2)cc(OC(C)=O)c1OC(C)=O 13011619 KMINTQZUYCVEQT-UHFFFAOYSA-N 449.456 2.316 0 40 IEAB Cc1csc(=O)n1CC(=O)OCC(=O)Nc1ccccc1I 13016132 CFSKRCIBIIWICE-UHFFFAOYSA-N 432.239 2.005 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 14363340 DWWIIHUKZPGHFL-UHFFFAOYSA-N 447.532 2.245 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCn1c(=O)oc2cc(Cl)ccc21 14363672 YLRXLYQCTDIWPG-UHFFFAOYSA-N 437.905 2.205 0 40 IEAB Cc1ccc2c(c1)C(=O)N[C@@]1(CCC(=O)N(CC(=O)NCc3ccc(F)cc3)CC1)O2 19218837 AYLLNNFJPWKLJF-QHCPKHFHSA-N 425.460 2.282 0 40 IEAB Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCOCC3)cc2c1 19220904 JJJFROPLRSUUDW-QFIPXVFZSA-N 430.512 2.487 0 40 IEAB C[C@H]1CN(c2nc3c(c(=O)[nH]2)CCN(Cc2cc4c(cc2Cl)OCO4)C3)C[C@@H](C)O1 19497578 AEFAJBFWWMOPGD-BETUJISGSA-N 432.908 2.324 0 40 IEAB COc1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)nc(OC)n1 19550323 FAAYQOHSCAMVHU-GFCCVEGCSA-N 427.486 2.325 0 40 IEAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC3CCCCC3)C1)C2=O 19699610 RYLVTZBZZXIYLG-GOSISDBHSA-N 432.565 2.271 0 40 IEAB Cc1nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2CCc1ccccn1 19706554 IDRWSCFMGDHTIK-SFHVURJKSA-N 444.605 2.161 0 40 IEAB Nc1nc(N2CCCC2)nc2c1[C@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 19819987 FCOVMBREIDYUEF-GFCCVEGCSA-N 431.294 2.486 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)N2CCN(C)CC2)c(OC)c1 22767184 DRKDYXXWCJZYCU-KRWDZBQOSA-N 425.576 2.032 0 40 IEAB CCC1CCC2(CC1)NC(=O)N(CN1CCN(CC(=O)Nc3cccc(F)c3)CC1)C2=O 22804256 NLFRKGHPUCSHBK-UHFFFAOYSA-N 445.539 2.230 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)C1=O 23950015 KEQHCQIUKMZXFY-HTAPYJJXSA-N 438.509 2.464 0 40 IEAB CCCn1nnc(NC(=S)NC(=O)/C=C/c2cc(Br)ccc2OC)n1 32118990 JMEMADJTLOQBPG-QPJJXVBHSA-N 425.312 2.381 0 40 IEAB COc1cc2cc(C(=O)N[C@H](C)C(=O)N=c3[nH]c4ccccc4[nH]3)[nH]c2c(OC)c1OC 36575735 XDGGLQUFGVCQBF-LLVKDONJSA-N 437.456 2.249 0 40 IEAB NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@@H]4CCc5ccccc54)ncnc32)C[C@@H]1O 72190143 MPUQHZXIXSTTDU-SFUIVIKGSA-N 443.529 2.063 0 40 IEAB investigational CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H]([C@H]3Nc4ccccc4S(=O)(=O)N3)C2)c1C 72342591 VIFNLPTZTFMDBJ-YWZLYKJASA-N 430.530 2.416 0 40 IEAB Cn1nc(N2CCC[C@H](C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)C2)ccc1=O 90592434 ZXIVRDQFAKMOHK-HNNXBMFYSA-N 433.915 2.138 0 40 IEAB COc1ccc(C(=O)c2c(NC(=O)Cn3cnc4ccccc4c3=O)nc3n2CCC3)cc1 95943468 CURZRPYITFXRCL-UHFFFAOYSA-N 443.463 2.418 0 40 IEAB Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)cc1 96251466 FCQZYOXFXMLGDG-OFVILXPXSA-N 449.555 2.003 0 40 IEAB Cc1nc2cc([C@H]3CCCN(C(=O)c4ccc(CN5CCOCC5)o4)C3)nn2c(O)c1C 100137666 BZUWUEDWTMQOCE-KRWDZBQOSA-N 439.516 2.497 0 40 IEAB Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1 138895922 AIZMAKHNRHQKKK-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)CC1 219637866 GWUDURQTNRZSDE-UHFFFAOYSA-N 440.587 2.221 0 40 IEAB COc1cccc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)c1 223298379 HRCHYMZRIJWCTH-UHFFFAOYSA-N 432.542 2.326 0 40 IEAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 223669898 YPTVJIZQAWPUQF-UHFFFAOYSA-N 434.495 2.414 0 40 IEAB CN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 224346818 MPSUGTCGLWFMBQ-UHFFFAOYSA-N 432.333 2.487 0 40 IEAB CCN(CC(=O)NCc1c(OC)cccc1OC)S(=O)(=O)c1cc(F)ccc1OC 226069447 XQJFHNOCNVTEIX-UHFFFAOYSA-N 440.493 2.179 0 40 IEAB Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)c1 536072768 ZIHXEKMVMVAZGW-INIZCTEOSA-N 432.502 2.195 0 40 IEAB O[C@@]1(CNCc2cccc(OCCN3CCCCC3)c2)CCCN(c2cnccn2)C1 585272387 KKXKEPKCUJSCET-XMMPIXPASA-N 425.577 2.462 0 40 IEAB COc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)cc1OC 1347650 SUMUAGTWTMYYHZ-NRFANRHFSA-N 436.516 2.025 0 40 IEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)N1CCc3ccccc31)C2=O 5365192 YYRDVRCGGKRKLB-CMJOXMDJSA-N 427.501 2.256 0 40 IEAB O=C(Cn1c(CO)nc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 6135144 MBHNCSQKIHOKFU-UHFFFAOYSA-N 428.514 2.342 0 40 IEAB O=C([C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1)N1CCOCC1 8299249 QZTNIEZCBDNGNP-DSKINZAPSA-N 427.574 2.140 0 40 IEAB biogenic,in-vitro CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)c1 8694094 IPMUYBILLXKKCI-UHFFFAOYSA-N 428.495 2.412 0 40 IEAB Cc1ccccc1-n1c(C)nnc1SCC(=O)N1CC(=O)NC(=O)C12CCCCC2 8720860 GOWDSXJTHGOXMT-UHFFFAOYSA-N 427.530 2.164 0 40 IEAB CCOCCN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C 8725066 KIOKIVYOFFJMFV-AWEZNQCLSA-N 444.923 2.392 0 40 IEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCCCCN1C(=O)c3ccccc3C1=O)C2=O 9442879 HAZQMALDPONVBS-NPMXOYFQSA-N 441.484 2.107 0 40 IEAB CCCn1nc(C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O 9508758 PUFNDLIQPOEDBJ-UHFFFAOYSA-N 429.498 2.414 0 40 IEAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9782419 OLPCTQPAIKRQKY-UHFFFAOYSA-N 443.525 2.016 0 40 IEAB O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9814807 WOILHLPJRDRNNG-INIZCTEOSA-N 427.482 2.400 0 40 IEAB CCn1c(COC(=O)c2ccc3c(c2)OCO3)nc2cc(S(=O)(=O)N(C)C)ccc21 9982360 BAYMKJFUPVYNIW-UHFFFAOYSA-N 431.470 2.392 0 40 IEAB C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)OCC(=O)NC(=O)Cc1ccccc1 13149969 VDWOROKROCOWMQ-QGZVFWFLSA-N 432.476 2.316 0 40 IEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 14067880 HNPJNNMFLZFPTE-LJQANCHMSA-N 448.479 2.408 0 40 IEAB CSc1cccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 14250819 DIWKUEYWAWOXQA-ZFWWWQNUSA-N 441.509 2.431 0 40 IEAB C[C@@H](C(=O)NCc1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14928813 PCRUFTCSGGWWNR-LBPRGKRZSA-N 434.008 2.474 0 40 IEAB CCNC(=O)c1c(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)sc2c1CCCC2 16751812 MTDDQLPDEQJOGB-UHFFFAOYSA-N 442.950 2.476 0 40 IEAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(c2ncccn2)CC1 17298916 QJXDMKABFJDGPM-QGZVFWFLSA-N 433.965 2.330 0 40 IEAB COC(=O)C[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccc(OC)c(OC)c1 19080181 TZBYBHWNVAVMEN-CYBMUJFWSA-N 437.499 2.291 0 40 IEAB CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)[C@H](C)CN3CCOCC3)CC2)n1 19525800 CPNQZZDQTAVCSG-QGZVFWFLSA-N 426.565 2.494 0 40 IEAB COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccc(F)cc2)CC1 19593981 AYCYCFADSZZWHL-NRFANRHFSA-N 426.496 2.379 0 40 IEAB CNc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)nc2c1CCN(C(C)=O)C2 19708452 ABJRGIUCDNWSDO-LJQANCHMSA-N 447.536 2.478 0 40 IEAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)CN3CCC(C)CC3)nc(N(C)C)c2C1 19710259 ZOWCRVCOIDXCMA-NRFANRHFSA-N 442.608 2.233 0 40 IEAB CCc1cc(C(=O)N2CCO[C@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)on1 19762775 CAGGOHQNZFVCMV-NRFANRHFSA-N 438.484 2.063 0 40 IEAB C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCc2ccccc21 21330291 ZMZASKSRZSYCHF-HNNXBMFYSA-N 434.489 2.357 0 40 IEAB CCOC(=O)C1=C(Cn2ncc(Cl)c(Cl)c2=O)NC(=O)N[C@@H]1c1ccc(C)o1 31682881 UURJHQQIIOAABK-CQSZACIVSA-N 427.244 2.323 0 40 IEAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)OCC)C2)sc(C(=O)NC)c1C 32764557 UPPDRDYBAIRXRI-GFCCVEGCSA-N 425.507 2.400 0 40 IEAB Cc1cccc(NC(=O)CN2CCN(C(=O)NC3CCN(C(=O)C(C)C)CC3)CC2)c1C 32803316 OQCZMWDTOITKQV-UHFFFAOYSA-N 443.592 2.216 0 40 IEAB Cc1cc(C)n(-c2ccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)cn2)n1 48235160 OJNCNXZOKQFPDE-FQEVSTJZSA-N 439.541 2.354 0 40 IEAB CCCCN1CCN(c2ncc(S(=O)(=O)c3cc(Cl)ccc3OC)c(N)n2)CC1 71771997 YQYZEVSAMYRDJA-UHFFFAOYSA-N 439.969 2.476 0 40 IEAB COc1ccc(-c2ccc(=O)n(CN3CCn4c(nnc4C(F)(F)F)C3)n2)cc1OC 79485991 ZMEOWEVQACFYAG-UHFFFAOYSA-N 436.394 2.011 0 40 IEAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1 95482535 KZVVLFHNMTWPAV-UHFFFAOYSA-N 431.558 2.048 0 40 IEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@@H]2COc3ccc(Br)cc32)C1=O 95976369 IBNUTJRXFIUCTI-AUUYWEPGSA-N 430.258 2.424 0 40 IEAB CCOC(=O)c1cnn(CCc2nc3cc(F)c(OC4CCOCC4)cc3c(=O)[nH]2)c1 96008354 XQAVSOVJBRRQNI-UHFFFAOYSA-N 430.436 2.236 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 96103511 LBZZHPGFUPJJKD-QGZVFWFLSA-N 443.930 2.364 0 40 IEAB CCS(=O)(=O)[C@](Br)(I)C(=O)c1cccc(N)c1 96518557 UWHSSPJTZVXTPR-SNVBAGLBSA-N 432.077 2.370 0 40 IEAB CC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1 100033162 ZHZTYZGUSURTFU-MSOLQXFVSA-N 425.832 2.475 0 40 IEAB CCS(=O)(=O)c1ccccc1C(=O)N1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 100725117 MFUHNIQMBPEXLX-KXBFYZLASA-N 442.541 2.009 0 40 IEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 138719413 OZDCSMYKIIIBDQ-HNNXBMFYSA-N 426.425 2.017 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222858510 OYLMHVQVEZOIGY-KRWDZBQOSA-N 449.548 2.141 0 40 IEAB COc1cccc(N(CCCC(=O)NCCCN2CCC[C@@H](C)C2)S(C)(=O)=O)c1 223189832 PDJFFFJTXUIRJI-GOSISDBHSA-N 425.595 2.480 0 40 IEAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1[C@@H]2NC(=O)CN 247977352 GFBYBDVHHHAIFG-LLZJGCNPSA-N 434.584 2.392 0 40 IEAB COC[C@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1 408625773 YCDAQAHUIXUEKN-HNNXBMFYSA-N 428.551 2.178 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 408626843 XUSJNNRUXBNACO-MRXNPFEDSA-N 433.530 2.246 0 40 IEAB COc1ccc(NC(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@H]3C2)cc1 1549161886 PLQJFQPFBXDAGM-GOSISDBHSA-N 428.489 2.135 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 886517 VLEFTKBKCJJLJD-UHFFFAOYSA-N 431.558 2.427 0 40 IEAB CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nnc1-c1ccc(O)cc1 897464 QGQDCJTWWOSVMK-UHFFFAOYSA-N 441.513 2.340 0 40 IEAB CN(C[C@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)C1CCCCC1 3293361 LFWAPNUUBLZBSZ-KRWDZBQOSA-N 446.997 2.365 0 40 IEAB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 3608946 BFIGBPSOUMAAKC-UHFFFAOYSA-N 430.526 2.483 0 40 IEAB C[C@@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1F 9787413 WOLOTKWWKGPCKL-CYBMUJFWSA-N 433.461 2.215 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc3c(c2)OCCCO3)C1=O 9846575 RQESPLHRYGECOR-QHCPKHFHSA-N 438.436 2.269 0 40 IEAB Cc1nc(C)n([C@H](C)CC(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)n1 12085516 MQUGHINCRBZECW-CMJOXMDJSA-N 438.532 2.179 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCCN3C(=O)CS(=O)(=O)Cc3ccccc3)cc2n1 12161191 OZIQBRGQPNHRMP-GOSISDBHSA-N 428.514 2.412 0 40 IEAB CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N3CCC3)c2)cc1 12557073 DVYZAMVBTPVNCP-UHFFFAOYSA-N 428.919 2.390 0 40 IEAB O=c1c2ccccc2cnn1CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12773905 AQFRGFNGJRMMTF-UHFFFAOYSA-N 436.896 2.153 0 40 IEAB COc1ccccc1/C=C/C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 12786427 NJNNADYRSCFDAU-JXMROGBWSA-N 432.498 2.377 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1 12805928 FFZIPIKUWAVHQS-UHFFFAOYSA-N 430.526 2.305 0 40 IEAB C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(S(=O)(=O)/C=C/c3ccccc3)CC1)C2=O 13062907 ZDDAMJAIBISTMH-BHHVWIJGSA-N 446.573 2.063 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 13948386 RBZHZQJLILCPQJ-UHFFFAOYSA-N 434.499 2.477 0 40 IEAB CCNC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 14246862 XVSWHSHABNDEGA-UHFFFAOYSA-N 434.518 2.081 0 40 IEAB CN1C(C(=O)N2CCN(Cc3ccccc3)CC2)=CC(c2ccc(F)cc2)=NS1(=O)=O 15673392 IQYMQCTWASPOGX-UHFFFAOYSA-N 442.516 2.033 0 40 IEAB O=C(Cn1nnc2ccccc2c1=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15767590 WDVMPOPQCZFDOC-UHFFFAOYSA-N 431.418 2.155 0 40 IEAB C[C@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 16864451 XHDKLAGICDCXBN-AWEZNQCLSA-N 449.467 2.143 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)O[C@@H](C(=O)N1CCOCC1)c1ccccc1 17726972 LVNPWWVTVKCXCY-HXUWFJFHSA-N 446.525 2.002 0 40 IEAB CCOc1ccc(NC(=O)c2nn(CC)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C 18089246 DBYAFEBLUYCZRZ-UHFFFAOYSA-N 444.513 2.318 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(C(=O)CN4CCCCCC4)CC3)c(=O)c2c1C 19561368 RVMHBPNMTUZFSL-UHFFFAOYSA-N 432.590 2.304 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(Cc3ccccn3)C1)C2=O 19699663 WXFKNIDZGDFLTD-NRFANRHFSA-N 447.539 2.273 0 40 IEAB CNc1nc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)nc2c1CCN(C(C)=O)C2 19707519 AHWVZJQHRZHQHN-IBGZPJMESA-N 427.480 2.305 0 40 IEAB O=C(NCCN1CCN(Cc2c(F)cccc2Cl)CC1)C(=O)Nc1ccc(F)cc1 19831194 JQRJWTJMWLINMJ-UHFFFAOYSA-N 436.890 2.491 0 40 IEAB Cc1cccc(N2CCN(C(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)CC2)c1C 20482529 ZAQJEGWBVWOGTH-NRFANRHFSA-N 429.542 2.179 0 40 IEAB COc1ccc(-n2c(O)c([C@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)n(C)c2=O)cc1 20757257 RPKDXDNXMALHIN-NRFANRHFSA-N 432.480 2.309 0 40 IEAB biogenic CCOC(=O)C1CCN([C@@H](c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697815 HMFJMHYAVAPOMR-NRFANRHFSA-N 429.517 2.268 0 40 IEAB COc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3cc4ccccc4n3C)CC2=O)cc1 32090510 CHLGIUWLWIFNGU-QGZVFWFLSA-N 434.496 2.086 0 40 IEAB CS(=O)(=O)c1ccc(N2CCC(C(=O)N3CCCCCC3)CC2)c(S(C)(=O)=O)c1 40020164 QJTPLQKZERZLSR-UHFFFAOYSA-N 442.603 2.113 0 40 IEAB COC(=O)c1cn(Cc2ccc(OC)c(F)c2)nc1S(=O)(=O)N1CCC[C@H](C)C1 49402151 LBGJVIBKTLNIEO-ZDUSSCGKSA-N 425.482 2.286 0 40 IEAB C[C@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394922 XVGAMVDAZYBJSP-FUHWJXTLSA-N 429.492 2.061 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nn(C)c(=O)n3-c3ccccc3)C2)cc1 77100625 WZLKFHDXUFGTIM-GOSISDBHSA-N 440.525 2.342 0 40 IEAB COC(=O)c1nscc1NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 79075823 TYOXKYBAIJLDTM-UHFFFAOYSA-N 433.533 2.027 0 40 IEAB CC(C)[C@H]1CCc2ccccc2N1C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 84456613 SEPGHYKLSMLIDY-HXUWFJFHSA-N 441.553 2.425 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(OC(F)(F)F)cc2)c1 95389907 HOWUOKWQRYRKIH-HNNXBMFYSA-N 446.403 2.439 0 40 IEAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 95482526 KATFWDYCFVNGHQ-LJQANCHMSA-N 445.585 2.437 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219438500 DRKDJMBJNRFQMQ-UHFFFAOYSA-N 429.498 2.390 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 222627136 CDKYURAUAJAAQH-KRWDZBQOSA-N 449.548 2.390 0 40 IEAB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 222814526 KTTHCCAFXGKWBH-INIZCTEOSA-N 437.496 2.235 0 40 IEAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)cc1 223098469 ABXQHPSHHTVVRB-OAHLLOKOSA-N 425.510 2.135 0 40 IEAB S=C(NCc1ccccc1Cl)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1 225937019 UMEPAIBGERSPIK-UHFFFAOYSA-N 448.980 2.290 0 40 IEAB Cc1ccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)cc1C 408616225 XQDDOSLFKRNKPI-ZWKOTPCHSA-N 439.512 2.171 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCc1ccc(Cl)cc1 408621582 LOYKMXRYXMFTIV-UHFFFAOYSA-N 438.933 2.365 0 40 IEAB Cc1nc(N2CCN(C)CC2)cc(N2CCN(c3cncc(Br)c3)CC2)n1 1888890989 MZUPHYSGBKZUKL-UHFFFAOYSA-N 432.370 2.021 0 40 IEAB COc1ccc(CN2C[C@H]3CCN(C(=O)c4ccc(C)nc4)CC[C@H]3S2(=O)=O)cc1 2055795860 KCJXVIISOOLBOP-TZIWHRDSSA-N 429.542 2.465 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCOCC4)cc3)n2N)cc1 2653376 NVCQVIMFMQOCAS-UHFFFAOYSA-N 440.529 2.235 0 40 IEAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 3464620 OZWHBDLOABOPQJ-HXUWFJFHSA-N 433.367 2.422 0 40 IEAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 3611706 BPVSVSMCQAYIOK-UHFFFAOYSA-N 446.525 2.184 0 40 IEAB CCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nnc1-c1ccoc1C 9335895 AIOSLKNRSLAGCP-UHFFFAOYSA-N 432.506 2.244 0 40 IEAB COc1cccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3c(c2=O)SCC3)c1 9603023 OBXOJXYWNSDAPJ-HNNXBMFYSA-N 433.555 2.277 0 40 IEAB C[C@@H](OC(=O)c1cc[n+]([O-])cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9634588 DVVQHOXSSWALKK-CYBMUJFWSA-N 439.390 2.359 0 40 IEAB O=C(NCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(N2CCCC2=O)cc1 9739529 ANBCJEYPQDHCPM-UHFFFAOYSA-N 448.523 2.421 0 40 IEAB Cc1nn(C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 10042900 XAHTXFVYBMJFGG-UHFFFAOYSA-N 444.479 2.131 0 40 IEAB COc1cc(-c2nc(C)c(C(=O)N[C@@H]3CCS(=O)(=O)C3)s2)cc(OC)c1OC 12391233 JMVGBCXWYBCZPP-GFCCVEGCSA-N 426.516 2.061 0 40 IEAB COc1cccc(NC(=O)CN(C)C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1 12926373 IDNUGBPCWCRYOJ-UHFFFAOYSA-N 431.514 2.118 0 40 IEAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C=O)CC3)cc2)cc1 13596078 QZKHLYTXAJZTEW-UHFFFAOYSA-N 433.555 2.148 0 40 IEAB O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCN(Cc2ccccc2)CC1 14141785 KHEIZXCEZZGDFU-NRFANRHFSA-N 443.569 2.102 0 40 IEAB CCc1cccc2c1NC(=O)[C@@]21N[C@H]([C@@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 16020719 FIWJEROXCFEZOZ-MJZZQVIGSA-N 425.529 2.073 0 40 IEAB Nc1c(C(=O)[C@H]2CCCN2C(=O)CN2CCCCCC2=O)cnn1-c1ccc(F)cc1 19337091 LLWWNMCUTHKFCP-GOSISDBHSA-N 427.480 2.170 0 40 IEAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCCN(C(=O)c2n[nH]c(=O)[nH]2)C1 19591164 WEFCBBYBEYWLPQ-HSZRJFAPSA-N 437.475 2.115 0 40 IEAB CCN([C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1)S(=O)(=O)c1cn(C)cn1 19712705 UEVPKAIZHKRZIC-MOPGFXCFSA-N 434.562 2.489 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)nc2C)c1 19763418 GEGHQSNQAUAGGL-QGZVFWFLSA-N 434.500 2.467 0 40 IEAB COc1ccccc1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20494183 VAZUHFNJHXSDTN-UHFFFAOYSA-N 432.542 2.220 0 40 IEAB COCCNC(=O)Cn1nc2c(c1NC(=O)c1ccc(Br)o1)CSC2 23138930 FSSIXZKTIJTDJA-UHFFFAOYSA-N 429.296 2.000 0 40 IEAB O=C(Cn1ncc(Br)c(Br)c1=O)N1CCc2ccccc2C1 23557328 NFGQXKGHCVUYPI-UHFFFAOYSA-N 427.096 2.353 0 40 IEAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NCc2ccccc2CN2CCOCC2)no1 24379553 YOBNCXJTWVHJAP-MRXNPFEDSA-N 432.546 2.192 0 40 IEAB Cc1cc(NC(=O)COc2ccc(F)cc2Br)n([C@@H]2CCS(=O)(=O)C2)n1 29373261 AVAROFUGKYCIFK-GFCCVEGCSA-N 446.298 2.470 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(O[C@@H](C)C(=O)OC)c3)C2=O)o1 33452499 WNXSNJZOVWFAJV-KPENOIPVSA-N 428.397 2.099 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)NC[C@@H]1CCCO1 35399947 HJAGAEVBPVVARV-NRFANRHFSA-N 449.617 2.336 0 40 IEAB O=C(CCOc1ccccc1)N1CCC[C@H](C(=O)N2CCN(Cc3ccccn3)CC2)C1 59893762 OHDSVJGGFVTYFD-NRFANRHFSA-N 436.556 2.434 0 40 IEAB NC(=O)[C@H]1CC(C(=O)NC[C@@](O)(Cc2ccccc2)c2ccccc2)=NN1c1ccccc1 72304417 LYXIBRPUAIZVKZ-BVAGGSTKSA-N 442.519 2.353 0 40 IEAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)CCc1ccccc1)CC2 72345730 MGDGSZYBJRPKOW-GOSISDBHSA-N 429.590 2.258 0 40 IEAB CC(C)N1CCN(C(=O)c2cc(-c3cnc(N4CCOCC4)nc3)cn2CC2CC2)CC1 96037729 YQMOJUSKDZBLFI-UHFFFAOYSA-N 438.576 2.358 0 40 IEAB CN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)NCCc1ccccc1)CC2 96143578 BSDMCARPEBZXEI-XZOQPEGZSA-N 447.583 2.389 0 40 IEAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)O1 96144889 DFPGPGOIQHZBSN-IBGZPJMESA-N 446.573 2.139 0 40 IEAB O=C(CN1C(=O)S/C(=C/C(Cl)=C/c2ccccc2)C1=O)N[C@H]1C=CS(=O)(=O)C1 102734546 QJCCVJVIDGPUKV-DJLFWKTDSA-N 438.914 2.273 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222386980 GEODIDRGYVGOIL-GOSISDBHSA-N 431.558 2.087 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222951487 NBKSKFDCEVIIDO-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(C)c1 224114047 QIHIUKMNMRDJMZ-QGZVFWFLSA-N 448.541 2.424 0 40 IEAB O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 224300887 WMYCYNKMCUDIKP-UHFFFAOYSA-N 444.962 2.482 0 40 IEAB CCCOc1ccc(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cc1 225263152 LGEGXUMOYFONMH-GOSISDBHSA-N 434.514 2.198 0 40 IEAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(S(=O)(=O)c1ccc(C)c(C)c1)CC2 257219963 DIZOYGQJOCDCKA-QGZVFWFLSA-N 443.573 2.218 0 40 IEAB CS(=O)(=O)Cc1cccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)c1 257302893 SEWCVIQFZGBDFN-UHFFFAOYSA-N 432.317 2.112 0 40 IEAB CS(=O)(=O)NC[C@H]1CC[C@@]2(COCCN(Cc3ccc(C(F)(F)F)c(F)c3)C2)O1 306130536 JJABQMWCBJBCFC-RHSMWYFYSA-N 440.459 2.144 0 40 IEAB Cc1nc(CN2C[C@@]3(CCN(C(=O)C4CC4)C3)Oc3ccccc3S2(=O)=O)cs1 306135327 ONRSXICGUBGQFM-FQEVSTJZSA-N 433.555 2.416 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)c1 408652698 GVXYTPDXETXDCC-CQSZACIVSA-N 445.859 2.024 0 40 IEAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3)cc2)CC1 409231676 FIUVWBMCQPRJSP-GOSISDBHSA-N 431.558 2.269 0 40 IEAB COc1cc([C@H](CC(=O)NCCn2nccc2C)c2oc(C)cc(=O)c2O)ccc1O 524731131 LCXLKIFNYAHXBI-INIZCTEOSA-N 427.457 2.211 0 40 IEAB biogenic O=C(NCC1CCCCC1)c1nnc2n1CCN1CCN(C(=O)c3ccsc3)C[C@@H]21 585109896 IXFWDLSVFLOCBR-KRWDZBQOSA-N 428.562 2.162 0 40 IEAB CCc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc1)CC2 621937280 DEPCTFPTXSEHNZ-UHFFFAOYSA-N 441.553 2.305 0 40 IEAB CCc1cc(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCNC3=O)C2)no1 643556566 NAEHZNSLRSYIDN-HSZRJFAPSA-N 427.501 2.370 0 40 IEAB O=C1[C@H]2CN(Cc3cnc4ccccn34)CCN2C2(CCOCC2)N1Cc1ccccc1 1772595360 PODLCSKXVIEAJP-JOCHJYFZSA-N 431.540 2.370 0 40 IEAB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2 1864787 WWDROQOEXLSDJN-IBGZPJMESA-N 444.454 2.379 0 40 IEAB Cc1cc(NC(=O)COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)no1 3379067 OFMYJGOFCYHERX-UHFFFAOYSA-N 436.273 2.140 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)c2ccc(Cl)s2)cc1 8878839 GLRNLUNVOREMCA-SNVBAGLBSA-N 444.918 2.453 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 9348543 RUSSQDPHBHUGNV-OJNRTJSBSA-N 442.946 2.412 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cccc(-n3cnnn3)c2)cc1 9590847 PMDQFGSFVPRCSX-OAHLLOKOSA-N 428.518 2.184 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3cccs3)cc(C(=O)N3CCOCC3)c12 11696188 UWTYWBBFZXALOQ-AWEZNQCLSA-N 446.554 2.300 0 40 IEAB O=C1N[C@@]2(COC3(CCN(C(=O)CCn4cccn4)CC3)C2)Nc2ccc(Cl)cc21 12085546 UNCWFKWZMSRHTC-NRFANRHFSA-N 429.908 2.260 0 40 IEAB Cn1nc(CC(=O)N2CCC(n3nnc(-c4ccc(F)cc4)n3)CC2)c2ccccc2c1=O 12143223 ZASUPMFYBYQWOD-UHFFFAOYSA-N 447.474 2.132 0 40 IEAB O=C(COc1ccc(F)cc1F)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12764150 LKYHIGNLGBHSKX-UHFFFAOYSA-N 432.395 2.155 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1Nc2ccccc2NC1=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 13623546 RRRCZLRUTYKLJR-ZOCIIQOWSA-N 443.592 2.376 0 40 IEAB CCc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)nn12 13848140 OWOVUWCUOYLRFN-UHFFFAOYSA-N 440.451 2.216 0 40 IEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1 13944425 CZDDFEYPQFJHKU-CYBMUJFWSA-N 447.476 2.293 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 14070330 LNGSGWJSXCPGGZ-VQTJNVASSA-N 447.557 2.395 0 40 IEAB COC(=O)C[C@H](NC(=O)CNC(=O)c1ccc(C)c(C)c1)c1ccc(OC)c(OC)c1 14136518 LEBHGRADMVMWME-SFHVURJKSA-N 428.485 2.471 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)Nc2cccnc2Cl)cc1 16710026 NWQJHPHYRPBHCY-CYBMUJFWSA-N 425.894 2.234 0 40 IEAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)[C@@H](C)c3ccccc3)C1)C2=O 19699741 GFMHXJZOCIUDRI-HKUYNNGSSA-N 440.544 2.104 0 40 IEAB COCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 19823267 PEQQYCGEGZUFHV-UHFFFAOYSA-N 446.617 2.190 0 40 IEAB NC(=O)[C@H]1CCCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)C1 24143543 SQFGSHKEUMCBHV-DOTOQJQBSA-N 447.536 2.079 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 27574167 FRCGTLKTERJUBS-UHFFFAOYSA-N 431.514 2.446 0 40 IEAB COc1ccc(CCN2CC(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 55408502 YVJDCEFVMSNCDZ-VQTJNVASSA-N 434.945 2.406 0 40 IEAB Cc1cc(C)c2c(OCC(=O)NC[C@H](C)N3CCN(c4ccccc4)CC3)nn(C)c2n1 58305067 UASSQBPBJHQTKF-IBGZPJMESA-N 436.560 2.291 0 40 IEAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@@H](C)O1 58309918 HWGOUXKXNIABSL-HUUCEWRRSA-N 439.534 2.289 0 40 IEAB COc1ccccc1-n1ccn(CC(=O)Nc2ccc(Br)cc2)c(=O)c1=O 67256338 SSWRYWJXFQTNQI-UHFFFAOYSA-N 430.258 2.409 0 40 IEAB COc1ccc(CNC(=O)Cn2cc(OCc3ccccc3)c(=O)cc2CO)cc1OC 71279626 HZLSQRSCNMTASK-UHFFFAOYSA-N 438.480 2.253 0 40 IEAB CCCN(CCC)C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 72329703 YGGUCRVCDVDJHR-UHFFFAOYSA-N 427.461 2.440 0 40 IEAB CNC(=O)[C@@H](NC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C(C)(C)C 95932273 CIQVAPLINBCHKH-OAHLLOKOSA-N 449.905 2.153 0 40 IEAB CC(C)C(=O)N1CC[C@H](NC(=O)c2ccc(COc3ccc(S(C)(=O)=O)cc3)o2)C1 95966160 DATQCPNVUUCYOE-HNNXBMFYSA-N 434.514 2.249 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4c(C)cccc4C)[C@H]3C2=O)cc1OC 101169869 OIARBKWZGGVYJN-VQTJNVASSA-N 437.456 2.253 0 40 IEAB C[C@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222684338 IRDININXQFJMJA-LBPRGKRZSA-N 426.441 2.379 0 40 IEAB COc1ccc(OCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 224479090 HQYFKGLMTMGITH-GOSISDBHSA-N 440.905 2.071 0 40 IEAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)ccc21 225161523 QLTWIPWRGFBMNJ-CYBMUJFWSA-N 426.564 2.101 0 40 IEAB Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)CCCc3nc4ccccc4n3C)C2)ncn1 257303941 SJIYBNJDTQYIQU-XMMPIXPASA-N 436.560 2.484 0 40 IEAB Cc1nc(N)cc([C@@]2(C)CCCN(C(=O)c3cccc(OCCN4CCOCC4)c3)C2)n1 257331053 XREUSOIQARUMCL-DEOSSOPVSA-N 439.560 2.272 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1 408618345 FRCXAIQSEVNDKD-MRXNPFEDSA-N 435.521 2.240 0 40 IEAB CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)CNCCO)cc12 4139858 UBTXDHMFJRJERV-LJQANCHMSA-N 426.513 2.496 0 40 IEAB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)NCCc2ccc(OC)c(OC)c2)n1 8916475 VVLJPHJTSDHIGB-UHFFFAOYSA-N 427.910 2.303 0 40 IEAB CCn1c(SCC(=O)NC2CC2)nnc1-c1cccc(S(=O)(=O)N2CCCC2)c1 9053141 SBBIDBKUTWQXCN-UHFFFAOYSA-N 435.575 2.120 0 40 IEAB COc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OCc1ccccc1 9194430 HATMFTXCHZHVFM-UHFFFAOYSA-N 431.880 2.412 0 40 IEAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 9464651 YWPZYMUUXCTZGV-UHFFFAOYSA-N 438.452 2.189 0 40 IEAB COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OC 9664661 ITTJPQYOIQMOFN-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)N1CCCC[C@H]1CCNC(=O)C(=O)NC1CCCC1 9749608 UDFWLPVEXZTUSS-SFHVURJKSA-N 439.553 2.242 0 40 IEAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 9789282 GODVWUMJCDMUQP-OYLFLEFRSA-N 435.480 2.419 0 40 IEAB O=S(=O)(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc2c(c1)OCCO2 9852863 PJTGKIVFBBEGAM-UHFFFAOYSA-N 431.445 2.411 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1OC 10008781 NUTKNBHQHASCOF-UHFFFAOYSA-N 446.266 2.460 0 40 IEAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)c1 11381724 KWGLFCZTFVVMOA-UHFFFAOYSA-N 444.513 2.040 0 40 IEAB COC(=O)[C@@](NC(C)=O)(N(Cc1ccc(OC)c(OC)c1)C[C@@H]1CCCO1)C(F)(F)F 12364196 LGBCFKQRFMNWSL-HNAYVOBHSA-N 448.438 2.253 0 40 IEAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 12600782 RJCAGUPHHASPOY-GASCZTMLSA-N 428.576 2.482 0 40 IEAB O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 12681806 LNJQQCSFQXGKIC-NTCAYCPXSA-N 438.513 2.314 0 40 IEAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12755539 YZSXRVFHCPEUHD-UHFFFAOYSA-N 428.489 2.294 0 40 IEAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NC(=O)[C@@H]1COc2ccccc2O1 12778788 OTYFALYOCCKUQW-SFHVURJKSA-N 447.476 2.390 0 40 IEAB CCc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cc(C(=O)O)cs3)CC2)cc1 12941288 JHMMCZHQLSYVIQ-UHFFFAOYSA-N 436.555 2.474 0 40 IEAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12974098 UQQZKJNTAPXMKH-CYBMUJFWSA-N 434.468 2.269 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc(C)c3)CC2)cc1 13039156 UFXBUGGGCOPHFU-UHFFFAOYSA-N 429.542 2.215 0 40 IEAB COc1cc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4ccco4)C[C@]34C=C[C@H]2O4)cc(OC)c1OC 13610087 ISXOWZYGLYPNPI-VZKMNXCRSA-N 440.452 2.226 0 40 IEAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc2[nH]c(=O)[nH]c2c1 13683205 UQWMESAQOXXHSA-UHFFFAOYSA-N 441.447 2.290 0 40 IEAB O=C(c1ccccc1O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 14182475 YHPOFWROJWKUJI-UHFFFAOYSA-N 425.304 2.301 0 40 IEAB COc1ccccc1C1(O)CCN(CC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 19569242 GIRFNCIAPCWZIK-UHFFFAOYSA-N 444.553 2.184 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(Cc3cccnc3)C1)C2=O 19699693 YVFQDCABYFFADF-NRFANRHFSA-N 447.539 2.273 0 40 IEAB COCCCNC(=S)N(CCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 19823863 NDLGWCUTKVMZCO-UHFFFAOYSA-N 446.617 2.190 0 40 IEAB COc1ccc(OCC(=O)N2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)cc1 19889465 WRVWYYLATCXQJC-UHFFFAOYSA-N 430.501 2.444 0 40 IEAB CCOc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OCC 20038586 SXUUGAWMFZOESZ-DOTOQJQBSA-N 427.567 2.180 0 40 IEAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)CC1 20460266 MDPKGTZXBBYTNA-UHFFFAOYSA-N 445.541 2.342 0 40 IEAB CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 26110706 YNTVJODVXYNRNL-CQSZACIVSA-N 434.389 2.309 0 40 IEAB CCN(CC)S(=O)(=O)N1CCN(C(=O)/C=C/c2ccccc2Br)CC1 32904547 VADDRCPPOUXQNN-MDZDMXLPSA-N 430.368 2.193 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nccn1C 32932872 LCASKSDMMDAZDQ-GOSISDBHSA-N 440.591 2.270 0 40 IEAB Cc1nc(SCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c2c(C)c(C)sc2n1 35351247 LNDJLIJNBIHZGM-UHFFFAOYSA-N 447.630 2.475 0 40 IEAB CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CCN(C/C=C/c4ccccc4)C[C@@H]32)C1=O 57110981 JKLVVJFWRXMIGO-YVWYTEFXSA-N 444.535 2.484 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(CCCO)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 57643158 SHTFZDMIODKHKQ-UHFFFAOYSA-N 436.491 2.395 0 40 IEAB CCOCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 57773671 CXNPNFWYIHIFCA-YADHBBJMSA-N 439.556 2.102 0 40 IEAB O=C(NCCN1CCCS1(=O)=O)Nc1ccc(I)cc1Cl 61749478 RKTQOUPJGBKUCY-UHFFFAOYSA-N 443.694 2.102 0 40 IEAB COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)c1 61997595 AOUQYLDAJCKKPI-DNBVQBCISA-N 447.491 2.443 0 40 IEAB biogenic COc1ccc2[nH]cc(CCNC(=O)Cn3ncc4ccc(OC)c(OC)c4c3=O)c2c1 70666555 QCOFEDDYWRZHBP-UHFFFAOYSA-N 436.468 2.263 0 40 IEAB biogenic O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCCc1cnccn1 72327676 YWSMVZINPOSSFC-QFIPXVFZSA-N 442.903 2.205 0 40 IEAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338828 WHYSAYYDRMZAOK-JLTOFOAXSA-N 431.562 2.105 0 40 IEAB C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 79023651 KMFRCTIBQVQJDS-MRXNPFEDSA-N 445.951 2.005 0 40 IEAB COC(=O)c1cccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1 113943869 OGFJQEOQAQCGOW-UHFFFAOYSA-N 434.470 2.387 0 40 IEAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(B(O)OC(C)(C)C(C)(C)O)cn1 200309882 BGILFEVLYCNCSA-UHFFFAOYSA-N 439.318 2.407 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222457322 BGNKOAQMSBHTII-UHFFFAOYSA-N 436.486 2.447 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1N1C(=O)CCC1=O 222740697 VJHAUOZEVRIDTP-ZDUSSCGKSA-N 446.481 2.159 0 40 IEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)cc1 223913767 ZPXILCQSBMLROU-UHFFFAOYSA-N 428.470 2.133 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccccc1Cl)c1ccc(F)cc1 224189195 LUCAJJNSFWARBB-UHFFFAOYSA-N 429.901 2.287 0 40 IEAB Cc1nc(C2CCN(S(C)(=O)=O)CC2)cc(N2C(=O)OC[C@H]2Cc2ccccc2)n1 257248786 JFEOXDGKRYWMCK-GOSISDBHSA-N 430.530 2.492 0 40 IEAB COc1ccc(CN2CC[C@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)cc1 306128596 HFTALTYKJCZQKB-DEOSSOPVSA-N 440.544 2.169 0 40 IEAB COC(=O)N1Cc2nnc(-c3cccnc3)n2C2(CCN(C(=O)Cc3ccccc3)CC2)C1 306137140 QMLOTCHDJFEDMO-UHFFFAOYSA-N 446.511 2.483 0 40 IEAB Cc1cc(C)n(-c2cc(N3CC(C(=O)NCc4nc(-c5ccccc5)no4)C3)ncn2)n1 390826999 RVLSFYSLSFWPDJ-UHFFFAOYSA-N 430.472 2.082 0 40 IEAB O=C1NCCN1CCOc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 585270614 ADXMFSWFQQZEFX-XMMPIXPASA-N 425.529 2.497 0 40 IEAB COc1cc(C(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)ccn1 585284885 JWUABWWBIGEFJL-OAQYLSRUSA-N 433.892 2.218 0 40 IEAB Cn1nccc1C(=O)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575393 QZWLNMZTJKYVBZ-UHFFFAOYSA-N 440.544 2.340 0 40 IEAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3357293 VCOUMOVMQYNWPA-QGZVFWFLSA-N 428.466 2.328 0 40 IEAB O=C1c2ccccc2S(=O)(=O)NN1Cc1nnc(-c2ccccc2Br)o1 3396609 NJEOZRVJFGVHFY-UHFFFAOYSA-N 435.259 2.348 0 40 IEAB Cc1ccccc1N(CC(=O)NC[C@H]1CCCO1)C(=O)[C@@]1(C)CC(=O)N=C2C=CC=CN21 4388614 CWJPKDMBHZFZRP-HOYKHHGWSA-N 436.512 2.096 0 40 IEAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccccc1N1CCCC1 9208720 YWKAKKSZIWHZQR-INIZCTEOSA-N 426.542 2.372 0 40 IEAB COc1ccc(O)c(C(=O)O[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 9335747 DCAUJLDDFXVACZ-CQSZACIVSA-N 425.441 2.383 0 40 IEAB COc1ccc(NC(=O)COC(=O)c2cccn2C)cc1S(=O)(=O)N1CCCCC1 9442773 YJKFENOHIMGALT-UHFFFAOYSA-N 435.502 2.004 0 40 IEAB CC[C@@H](Sc1ccc2nnc(CCNC(=O)c3ccc(OC)cc3)n2n1)C(=O)OC 9578662 OBYUDJWAZLKNJI-OAHLLOKOSA-N 429.502 2.149 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N(Cc2ccco2)CC(F)(F)F)cc1 9641383 LVPPUCFXAAVLAQ-UHFFFAOYSA-N 448.419 2.278 0 40 IEAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1=CN2CCS(=O)(=O)N=C2C=C1 9816001 FIVFSFXYGQWDNJ-UHFFFAOYSA-N 438.513 2.108 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2nnc3ccc(-c4ccc(F)cc4)nn23)CC1 9829129 XIWRMRFLONFWGY-UHFFFAOYSA-N 444.492 2.323 0 40 IEAB Cc1cc(N2C(=O)CCS2(=O)=O)ccc1S(=O)(=O)NCc1ccc(Cl)cc1 11904591 DTAYLWYHABUQSJ-UHFFFAOYSA-N 428.919 2.193 0 40 IEAB CCOc1ncc(C2(O)[C@H]3CCC[C@@H]2CN(C(=O)c2ccnc(OC)c2)C3)c(OCC)n1 12183293 NUNZDIYPWJZZCS-NWMVZANLSA-N 442.516 2.438 0 40 IEAB C[C@@H](NC(=O)CCC(=O)N[C@H](C)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 12383348 DZOGSZUWOBXAJH-DJDZNOHASA-N 440.496 2.456 0 40 IEAB O=C(CCc1c[nH]c2ccccc12)NCCNS(=O)(=O)c1cccc2nsnc12 12406945 FUKUMLIHQJQQHA-UHFFFAOYSA-N 429.527 2.200 0 40 IEAB Cc1sc2nc(COC(=O)CCNS(=O)(=O)c3cccs3)nc(N)c2c1C 12534749 NUWKTUUIHXXAIX-UHFFFAOYSA-N 426.545 2.364 0 40 IEAB COc1cc(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc(OC)c1OC 12901740 FFWAZCHRFAWJFO-UHFFFAOYSA-N 425.441 2.386 0 40 IEAB biogenic CCC(CC)[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)N1CCOCC1 12910308 URAASHRYDMITRV-KKSFZXQISA-N 437.606 2.264 0 40 IEAB O=S(=O)(c1cc(F)ccc1F)N1CCN(Cn2nc(NC3CC3)sc2=S)CC1 12913819 LIVZQOSELAMLJO-UHFFFAOYSA-N 447.558 2.491 0 40 IEAB COc1c(F)c(F)c(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(F)c1F 12949809 LZMYEZKASRXHAJ-CYBMUJFWSA-N 448.438 2.431 0 40 IEAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@H](O)COC[C@@H]3CCCO3)CC2)cc1 13118086 MXXCXUVBINDWMZ-JBACZVJFSA-N 440.606 2.063 0 40 IEAB COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F 13150817 UXTTVAGKCXLGAZ-NRFANRHFSA-N 445.491 2.424 0 40 IEAB Cc1cccc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3S(=O)(=O)c3ccccc3)CC2)c1C 13371298 VPLJKKDRZLNWKZ-VXKWHMMOSA-N 448.610 2.065 0 40 IEAB COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2ccccn2)cc1 13501320 GUKZQZALYWTTQM-IBGZPJMESA-N 440.500 2.137 0 40 IEAB O=C(Cn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21)N1CCOCC1 13748110 ZYBOYKVKMFIZPL-BKUYFWCQSA-N 444.516 2.270 0 40 IEAB COc1ccc(-c2ccnc(-n3ncc(C(=O)NCCNC(C)=O)c3C3CC3)n2)cc1F 14987700 PBAQXWRJICWISJ-UHFFFAOYSA-N 438.463 2.220 0 40 IEAB C[C@@H]1C[C@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699330 ZTPILHZUZBFEJL-WIYYLYMNSA-N 438.572 2.263 0 40 IEAB CN1CCN(C(=O)Cn2cccc(C(=O)NCc3ccccc3)c2=O)[C@H](c2ccccc2)C1 19750687 JAKAOWFVMKJEBC-QHCPKHFHSA-N 444.535 2.294 0 40 IEAB COc1ccc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2nccn2C)cc1 24773342 HBFWQIIHKFZFFH-ZHRRBRCNSA-N 448.479 2.416 0 40 IEAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ncc(C(N)=O)s3)c2)cc1 24975431 LVBLXTOYBLZGID-UHFFFAOYSA-N 446.510 2.328 0 40 IEAB C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@H]2C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 32829494 YKWRDYVUZFAUST-KFWWJZLASA-N 446.525 2.123 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 32853770 JODDZLJIIGFLLT-VXKWHMMOSA-N 438.528 2.306 0 40 IEAB COc1cc(C(=O)NCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc(OC)c1OC 33024214 GZIWVAXRHIQWKA-KRWDZBQOSA-N 445.516 2.379 0 40 IEAB O=C1NCCCC[C@H]1N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 35287006 UMFVXLSRXJCHQM-OAHLLOKOSA-N 439.887 2.334 0 40 IEAB CCN(CC)S(=O)(=O)N1CCN(Cc2cc(=O)oc3cc(C)c(Cl)cc23)CC1 36413034 DJESIPAJPWNXGN-UHFFFAOYSA-N 427.954 2.459 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@@H]1NCCCc1ccccc1 36589721 OIRMZXYQVMFERF-GHTZIAJQSA-N 437.583 2.165 0 40 IEAB Cc1nc2ccnn2c(C)c1CCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 40151352 VFXYNFDLSKRVEP-UHFFFAOYSA-N 447.586 2.310 0 40 IEAB COc1ccc(CNC(=O)CCn2nc(-c3ccc4c(c3)OCO4)ccc2=O)c(OC)c1 41253844 KRMBMRGRMVNRCJ-UHFFFAOYSA-N 437.452 2.363 0 40 IEAB COc1cccc(C2=NC3(CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)NC2=O)c1 64965740 FODGUSSJVOTKIW-UHFFFAOYSA-N 435.452 2.073 0 40 IEAB CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)nc2c1CN(C(C)=O)CC2 72372340 BWGVFSXEOPAMLA-IBGZPJMESA-N 447.536 2.478 0 40 IEAB O=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 77100072 SSQBKPJKJNHPMV-UHFFFAOYSA-N 447.826 2.080 0 40 IEAB NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnc(-c2ccccc2F)s1 84525680 KZJGUPXZKRWEAE-QGZVFWFLSA-N 440.500 2.282 0 40 IEAB C[C@@H]1CN(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)CCN1C1COC1 98181628 UXOMKAJIELSAKD-CYBMUJFWSA-N 434.338 2.196 0 40 IEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 101011122 YDSJLYPYRCQVCT-GASCZTMLSA-N 439.468 2.019 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCCCN2CCCc3ccccc32)Oc2ccccc21 219271737 ZSTGEPQEWWFRMK-NRFANRHFSA-N 429.542 2.173 0 40 IEAB Cc1ccc(CN(CC(=O)NCc2cccc(N3CCCC3=O)c2)S(C)(=O)=O)cc1 225402800 ODJQKNVKKGCDOZ-UHFFFAOYSA-N 429.542 2.200 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CC[C@@H](c4ccc5c(N)n[nH]c5n4)C3)ccc21 257202120 AKOIXSDQUFFFNQ-OAHLLOKOSA-N 440.529 2.017 0 40 IEAB Cc1nc(CN2CC[C@@]3(CN(C(=O)Cc4ccco4)C[C@H]3c3cn(C)cn3)C2=O)cs1 306140255 UOEMQGHEGMUYPU-AVRDEDQJSA-N 439.541 2.365 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 408548441 RQIPPMMERSNVIJ-QGZVFWFLSA-N 447.557 2.473 0 40 IEAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1 408705930 QNOMMJJABPLTDR-UHFFFAOYSA-N 434.470 2.298 0 40 IEAB Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H]3CCCN3c3ncccn3)CC2)c(C)c1 673841697 DGKIQBLZYFGGIE-WOJBJXKFSA-N 437.544 2.201 0 40 IEAB COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CC(OC)OC)CC(=O)N21 2125364 SBCZPNDQGDKGMM-YADARESESA-N 449.507 2.480 0 40 IEAB biogenic CCOc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[nH]2)cc1 2712522 WITVLGHYSFZWMS-UHFFFAOYSA-N 429.458 2.327 0 40 IEAB O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)Nc1nc2c(s1)CCCC2 6552390 OLVFOFYIPMTXTH-UHFFFAOYSA-N 430.515 2.500 0 40 IEAB aggregator COc1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c(OC)c1 9096913 KZZUEAIFEQCXRH-UHFFFAOYSA-N 436.486 2.058 0 40 IEAB O=C(NCCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12)c1cccc(C(F)(F)F)c1 9409987 DUUPHSPNOYGIBJ-UHFFFAOYSA-N 435.450 2.212 0 40 IEAB O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCc2ccccn2)cc1 10034873 YIWFOBSDRFUSRD-GOSISDBHSA-N 437.525 2.434 0 40 IEAB CCc1cccc(OC[C@@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385690 CUOHLJVXYCFARM-KRWDZBQOSA-N 441.532 2.170 0 40 IEAB C[C@@H](C(=O)NCc1ccccc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1 12472719 HRPFZNAXBUTNCM-LBPRGKRZSA-N 441.488 2.315 0 40 IEAB COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1C(=O)COc1ccccc1 12530284 FTFJBLCRMSBJHG-NRFANRHFSA-N 435.480 2.445 0 40 IEAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)cc1 12622966 AHTQLEYVQDTFMK-HXUWFJFHSA-N 449.573 2.422 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN(CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)cccc2c1 12765475 KRECFSARJGPWMV-OALUTQOASA-N 444.601 2.354 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 12796476 RGKUIENLAPBLSP-LJIGWXMPSA-N 438.546 2.277 0 40 IEAB C[C@H](OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)N1CCc2ccccc2C1 12888455 JBEPGHRTLXMXSH-INIZCTEOSA-N 428.510 2.357 0 40 IEAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 12945224 PPZJXNQKSIHJNN-SJLPKXTDSA-N 446.500 2.270 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 16154482 IXELRDURUBAIMW-UHFFFAOYSA-N 438.458 2.258 0 40 IEAB Cc1ncc(-c2ccccn2)c(CN(C)S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)n1 19286978 AUBNPVXMFQOUGD-ZDUSSCGKSA-N 439.497 2.387 0 40 IEAB Cc1ncsc1C(=O)N1CCC(c2nc([C@@H]3CC(=O)N(C)C3)cc(N(C)C)n2)CC1 19697451 FGRMNRVKJDGSFI-OAHLLOKOSA-N 428.562 2.273 0 40 IEAB CCCc1nnsc1C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CCN(C)CC2)cn1 19708697 OVYHGORHWJHOJQ-SFHVURJKSA-N 428.562 2.251 0 40 IEAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)ncc1C(=O)Nc1ccc(F)cc1 19755507 BUCMEGCTEXHOKJ-KRWDZBQOSA-N 444.492 2.436 0 40 IEAB Cc1cc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C)n1C[C@@H]1COc2ccccc2O1 26171183 QUJDCRXCXUCQEH-MRXNPFEDSA-N 433.468 2.271 0 40 IEAB COC[C@@H](C)N(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 32915700 WGBJVBNIERAGEM-OLZOCXBDSA-N 448.438 2.491 0 40 IEAB O=C(NCCN1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1)c1ccco1 33002432 ZDJFKSPZMHERBX-UHFFFAOYSA-N 438.553 2.444 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)cc1OC 40149808 RVVRRGFSELBTEK-UHFFFAOYSA-N 444.509 2.401 0 40 IEAB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)CC2)c(C)o1 58202728 MMEDUSOQFSAHIU-UHFFFAOYSA-N 434.518 2.137 0 40 IEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 103125969 BKXIMGJBZKOEQP-HUUCEWRRSA-N 437.477 2.294 0 40 IEAB CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)s1 222943112 CLBSGLXGVWPLEG-UHFFFAOYSA-N 428.517 2.113 0 40 IEAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N3CCN(C(=O)OCC)CC3)ccc21 223117746 LPNSBBRVMOSOAE-UHFFFAOYSA-N 436.534 2.328 0 40 IEAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223476056 DMUVXSVMJFABLS-FQEVSTJZSA-N 449.548 2.188 0 40 IEAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 223616468 PPNIGLMCTBSFIK-UHFFFAOYSA-N 447.469 2.327 0 40 IEAB Cc1cc(C)cc(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)c1 224098294 JKHIIBVMLRYUBL-UHFFFAOYSA-N 445.585 2.189 0 40 IEAB COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(OC)c(Cl)c1 224963031 MLGBYCSBBUIDKT-UHFFFAOYSA-N 427.862 2.488 0 40 IEAB COc1ccc(NC(=O)CSc2nnc(CNC(=O)Cc3ccccc3)n2C)cc1 409166680 FFIQAELHFNOKLJ-UHFFFAOYSA-N 425.514 2.413 0 40 IEAB COc1ccc(S(=O)(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1NC(C)=O 575426175 NYRGBAKFEJPRCG-INIZCTEOSA-N 436.511 2.160 0 40 IEAB O=S(=O)(NC[C@](O)(c1ccccc1)C1CCOCC1)c1ccc(-n2cccn2)cc1 575612485 MSBHGZXEEIMOSX-QFIPXVFZSA-N 427.526 2.465 0 40 IEAB CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CCc1nc2ccc(Cl)cc2[nH]1 2037880144 HTTPTGUDARKJQP-NRFANRHFSA-N 428.924 2.429 0 40 IEAB CCOc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3c(c2=O)SCC3)cc1 755467 IXVLVAFMVAALLX-UHFFFAOYSA-N 433.555 2.230 0 40 IEAB CCOCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(C)ccc2OC)n(C)c1=O 5252086 LVXDLUACUFNARG-OAHLLOKOSA-N 427.505 2.038 0 40 IEAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H]2CCSc3ccccc32)c1 9671529 HEKDJZUQWZAKNI-QGZVFWFLSA-N 433.555 2.138 0 40 IEAB COc1ccc(CCNC(=O)Cn2c(-n3nc(C)cc3C)nc(C)c(C)c2=O)cc1OC 9761570 NYDWOXQVNIPNMU-UHFFFAOYSA-N 439.516 2.039 0 40 IEAB COc1cc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)nc(OC)n1 11765805 XNBANLFCGRZVGI-UHFFFAOYSA-N 432.424 2.024 0 40 IEAB O=C(NCc1ccc(Cl)cc1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031073 FDAPNJRJXLJMPZ-HNNXBMFYSA-N 445.921 2.370 0 40 IEAB CCn1cc([C@@H]2C[C@H](C(=O)Nc3ccccc3C(F)(F)F)N(C)S(=O)(=O)N2)c(C)n1 12130342 ZGNVXMOYBOFKDQ-JKSUJKDBSA-N 445.467 2.449 0 40 IEAB CNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3nn(C)c4ncccc34)CC2)c1 12186791 BWCQHVNXGSWTTO-UHFFFAOYSA-N 431.493 2.035 0 40 IEAB Cc1c(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 12372097 BWJNXEGCGKLVMF-UHFFFAOYSA-N 440.525 2.449 0 40 IEAB CC(C)Cn1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1F 13149119 ALNIUYMFAZLYMC-ZDUSSCGKSA-N 426.539 2.136 0 40 IEAB CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(Br)c1)C1=C(COC1=O)N2 16047710 IOSGKBSMADCPQJ-CYBMUJFWSA-N 432.274 2.468 0 40 IEAB CN(C(=O)CN1N=C(C(C)(C)C)Cn2c(cc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 19082243 DZVJHVFCZHRVLC-MRXNPFEDSA-N 444.557 2.145 0 40 IEAB COc1ccc(OCC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)cc1 19448238 WKAWHENIQLTWKK-FQEVSTJZSA-N 426.517 2.288 0 40 IEAB CC(C)NC(=O)[C@H]1CN(C(=O)c2cnn(C(C)C)c2)C[C@@H]1c1ccnc(N2CCCC2)n1 19450070 BOPNGADIMGUBPT-OALUTQOASA-N 439.564 2.235 0 40 IEAB CC(C)S(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccc3)[nH]c2=O)C1 19451102 ATIVWTVODHJUMU-IBGZPJMESA-N 444.557 2.234 0 40 IEAB CN1C[C@H](C(=O)NCc2ccc(-c3n[nH]cc3C(=O)N(C)Cc3ccccc3)cc2)CC1=O 19587415 RVZKGHVXKKHFHJ-HXUWFJFHSA-N 445.523 2.443 0 40 IEAB CNCc1cc(N(C)C)nc([C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)n1 19709643 IKERSOZRQKQYKP-MRXNPFEDSA-N 433.578 2.147 0 40 IEAB N=C(NC1=N[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1)Nc1ccccc1 20635230 FJRZUMMARGGAME-AWEZNQCLSA-N 429.278 2.269 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C[C@H](C)O1 21009759 MNHUHZCMTNEZGT-GJZGRUSLSA-N 429.498 2.083 0 40 IEAB COc1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c(OC)c1OC 22329089 KJAGHAYQULCZMZ-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 22957358 AUARQLZMZBFZJR-UHFFFAOYSA-N 439.280 2.439 0 40 IEAB COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2C)c2ccccc2O1 32983163 RIYATJBJOILIJD-FQEVSTJZSA-N 444.509 2.360 0 40 IEAB O=C(CCN1C(=O)CCC1=O)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107833 CNYZMPJVRADDMH-HNNXBMFYSA-N 425.407 2.024 0 40 IEAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ncccn2)cc1OCC(N)=O 40284619 LCQFRFNKTRCTRB-SFHVURJKSA-N 440.485 2.268 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccccc1Br 41097296 SXVHRJCSSBGNFL-KRWDZBQOSA-N 433.302 2.470 0 40 IEAB Cc1ccc2c(c1)N(C(=O)Cn1cccc(S(=O)(=O)N3CCCCCC3)c1=O)CCO2 49409241 LMJYCWJPTLYCFH-UHFFFAOYSA-N 445.541 2.147 0 40 IEAB Cc1nc2sc3c(c2c2nn(CC(=O)N4C[C@H](C)O[C@H](C)C4)c(=O)n12)CC[C@H](C)C3 57731282 SSJXMSNWGJMNFN-RWMBFGLXSA-N 429.546 2.175 0 40 IEAB CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 60098227 WUWUSGVBIYARHV-GOSISDBHSA-N 425.485 2.425 0 40 IEAB CC(=O)N1C[C@H]2C3(CCN(C(=O)c4ccncc4)CC3)CC[C@@]2(C(=O)NCC(C)C)C1 63528231 ZOWUZSZWSYZAEN-GBXCKJPGSA-N 426.561 2.335 0 40 IEAB Cc1cc(C)n(CCCC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338874 PEGLXVQPDCBSQG-OAQYLSRUSA-N 431.562 2.249 0 40 IEAB C[C@H]1CCCCN1C(=O)CN1CCC2(CC1)CN(S(C)(=O)=O)Cc1ccccc1O2 72394436 NYHABIHYOISKDM-SFHVURJKSA-N 435.590 2.076 0 40 IEAB Cc1ccc(-n2cc(C(=O)N(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)nn2)cc1 89643117 XRGSLIRYMFXEEE-UHFFFAOYSA-N 434.500 2.123 0 40 IEAB CC[C@@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc2cc(-c3nc(C)no3)ccn2c1=O 90592180 OVFWUYOCKXIKDO-KRWDZBQOSA-N 438.444 2.461 0 40 IEAB COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 95986172 MMJDNSZCOFETIS-LBPRGKRZSA-N 444.859 2.341 0 40 IEAB CS(=O)(=O)c1ccc(CCC(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc1 96099515 JCLMRTRIXVJUSI-UHFFFAOYSA-N 439.555 2.222 0 40 IEAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc6c(c5)OCO6)no4)[C@@H]3C2=O)cc1 101272240 IGPQBGKISNLPQO-ROUUACIJSA-N 432.396 2.267 0 40 IEAB CN(CCNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O)c1ccccc1 222674015 GULWSRRMVRZIAO-UHFFFAOYSA-N 447.557 2.257 0 40 IEAB Cc1ccc2c(c1)O[C@H](C(=O)NCc1cccc(CN3CCCC3)c1)CN2S(C)(=O)=O 224625327 BYSJHNHNGAFSSX-QFIPXVFZSA-N 443.569 2.434 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)NCc1c(OC)cccc1OC 226065698 MMIKJDNTJPZUIN-UHFFFAOYSA-N 442.921 2.303 0 40 IEAB O=C1CCc2cc(S(=O)(=O)NC[C@H](c3ccoc3)N3CCSCC3)cc3c2N1CC3 253399758 JXBKEARUFMIDSC-LJQANCHMSA-N 447.582 2.183 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)c3cccc(N4CCCC4=O)c3)C2)nc2c1CN(C)CC2 257247653 IZYQOJVEBJXNHZ-KRWDZBQOSA-N 434.544 2.263 0 40 IEAB CN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)c1cccc(OCCCN)c1 257303203 SGEQCSVZXHGYFP-VWLOTQADSA-N 449.555 2.461 0 40 IEAB C[C@H]1CCCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 260895438 IJYFLDPQZGPZKM-ZWKOTPCHSA-N 425.570 2.465 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C)c1nnnn1-c1ccccc1 513125805 KCKYGMILIMLFOK-CYBMUJFWSA-N 434.481 2.445 0 40 IEAB CN(CC(=O)Nc1cccc(F)c1)CC1(CN(C)CC(=O)Nc2cccc(F)c2)COC1 542001703 QCCDDYJPOGFWSP-UHFFFAOYSA-N 446.498 2.422 0 40 IEAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1C 575420579 CYPPZVROZPFDFF-SFHVURJKSA-N 436.555 2.330 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)cc3)CC2)c1 8753959 GHGPFTVQWFLELP-UHFFFAOYSA-N 425.514 2.031 0 40 IEAB COCCCn1c(C)cn2c3c(=O)n(CC(=O)c4ccc(Cl)cc4)c(=O)n(C)c3nc12 9297265 UGHNXBRDHPHCTN-UHFFFAOYSA-N 443.891 2.031 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(-c2nnn[nH]2)cc1 9952167 UNDZGSZDHQDRNY-UHFFFAOYSA-N 442.501 2.302 0 40 IEAB C[C@H](C(=O)NCc1ccc(F)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 10228489 HUPJVQWMZBCBQF-MRXNPFEDSA-N 437.512 2.366 0 40 IEAB CCOc1ccc(N(CC(=O)NCCOC)S(=O)(=O)c2cc(C)ccc2OC)cc1 10300161 DRZPYLDFKKSJDG-UHFFFAOYSA-N 436.530 2.360 0 40 IEAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 11998322 XOKABDKHLCJFNW-UHFFFAOYSA-N 448.566 2.397 0 40 IEAB O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCCO2)NC1CCCCC1 13150785 ZAMVXHRVNDWNJO-UHFFFAOYSA-N 441.484 2.263 0 40 IEAB CCOC(=O)CNC(=O)CSc1nnc(CNc2nc(-c3ccccc3)cs2)n1C 13502694 YXUIICFSHUKISX-UHFFFAOYSA-N 446.558 2.322 0 40 IEAB COC(=O)c1ccc(CSc2nnc(NC(=O)[C@@H]3CCCN(C(N)=O)C3)s2)cc1 14120299 FXNBJUVKQFOJSD-CYBMUJFWSA-N 435.531 2.346 0 40 IEAB O=C1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c2ccccc2N1 14422762 JIAFLJAEVVNSIV-OAHLLOKOSA-N 433.917 2.299 0 40 IEAB CCOc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)ccc1OC 19531980 JHXPUTRDRVCNBH-SFHVURJKSA-N 428.533 2.393 0 40 IEAB CC(=O)N1CCC(N2CCC(Cc3nn(C)cc3C(=O)NCc3ccccn3)CC2)CC1 19756592 HMHHGFSYWBXOKG-UHFFFAOYSA-N 438.576 2.011 0 40 IEAB CC(C)(C)c1cc(NC(=O)Cn2c(=O)oc3ccccc32)n([C@H]2CCS(=O)(=O)C2)n1 22698499 SXIADJARMZSQHK-ZDUSSCGKSA-N 432.502 2.087 0 40 IEAB COCCNC(=O)CNc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12 23968063 KQBRRPROQXVPHO-UHFFFAOYSA-N 447.586 2.427 0 40 IEAB CSc1nnnn1-c1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1 31668737 XEEIMHXZQWMGLF-LBPRGKRZSA-N 444.542 2.483 0 40 IEAB C[C@H]1C[C@H](OC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)C(=O)O1 32736379 MKWQZKTYUSNPTJ-JXFKEZNVSA-N 444.509 2.058 0 40 IEAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(N)=O)c(OC)c1 32741940 FUBFATJIQLQDKT-UHFFFAOYSA-N 441.513 2.487 0 40 IEAB COc1cccc(C(=O)N2CCC(NC(=O)[C@H](Cc3ccccc3F)NC(C)=O)CC2)c1 57698956 MXAHDULKNHHOIE-QFIPXVFZSA-N 441.503 2.303 0 40 IEAB CCc1c(C(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)[nH]c(C)c1C(C)=O 58202635 IHXGAIZFIPMFSB-IAGOWNOFSA-N 430.593 2.393 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)Cn1ncc3ccc(OC)c(OC)c3c1=O)CC2 62001552 SQDXCSIIYWAKSE-UHFFFAOYSA-N 439.468 2.016 0 40 IEAB biogenic Cc1nc2cc(NC(=O)c3c[nH]c(=O)n(Cc4ccc5c(c4)OCO5)c3=O)ccc2s1 77099875 SDNIQKSORDCVTO-UHFFFAOYSA-N 436.449 2.484 0 40 IEAB CS(=O)(=O)C[C@H](NC(=O)Cn1cnc2c(oc3ccccc32)c1=O)c1ccccc1 78996404 OXDWMDGOENDDBD-INIZCTEOSA-N 425.466 2.045 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCOC(C)(C)C3)C2=O)cc1OC 85876921 HHICWVJKBOVZDE-SJORKVTESA-N 447.532 2.021 0 40 IEAB biogenic Cc1cnc(C(=O)N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CC(C)C)[C@H]3CC2)cn1 96263909 LJFXAUNVXSBFOJ-OALUTQOASA-N 444.557 2.498 0 40 IEAB O=C1c2nn(Cc3noc(-c4cccc(F)c4)n3)c(=O)n2CCN1Cc1ccccc1F 98213053 IEMBVYPLBGXMAR-UHFFFAOYSA-N 438.394 2.077 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1cccc(OC)c1 106615657 AQDJXLMENCYMTF-OXQOHEQNSA-N 445.516 2.141 0 40 IEAB COC(=O)COc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 107913806 YBGOKGZSGFBLFS-ZSOIEALJSA-N 448.815 2.364 0 40 IEAB CCc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 222466187 ARTAZXDKXCMRRS-SFHVURJKSA-N 445.585 2.487 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2cccc(C)c2)c(Cl)c1 222834583 SLVSFPDMGJSAMA-UHFFFAOYSA-N 426.922 2.268 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223627137 XJNOYJWNFSAVMZ-RLLQIKCJSA-N 425.529 2.190 0 40 IEAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@](O)(c3ccsc3)c3cccs3)cc21 253408745 YSGCFYZDMAASLJ-SFHVURJKSA-N 436.536 2.469 0 40 IEAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)o1 257292320 QKYOSDLPYUIJRS-QGZVFWFLSA-N 438.484 2.039 0 40 IEAB COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 408559957 NSGBDMNEYDEYNK-QGZVFWFLSA-N 448.541 2.430 0 40 IEAB CCc1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1 408614528 DHDARHUIZKTNDT-UHFFFAOYSA-N 445.585 2.283 0 40 IEAB COc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)CC1=O 408655720 LWDVMXRKJPSQPO-HNNXBMFYSA-N 425.441 2.188 0 40 IEAB COc1ccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC 409258462 XQIPNSUVKIKUMB-CYBMUJFWSA-N 426.922 2.383 0 40 IEAB COc1cccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4)C3)CC2)c1 585288270 ZVDYTYYOJXICKA-RUZDIDTESA-N 442.556 2.169 0 40 IEAB COC[C@H](NC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)[C@@H]1CCCO1 1227424902 BJJHXIZSEUBEGH-BDXSIMOUSA-N 443.466 2.427 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 913987 WLTDGOZTMVATQE-UHFFFAOYSA-N 444.509 2.196 0 40 IEAB CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCO3)c1 932432 DVNJPZXXZFCDKH-UHFFFAOYSA-N 426.458 2.470 0 40 IEAB COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(Cl)cc4)sc3nc2=O)cc1OC 1449040 MFYKRDWHNMVKIS-WQRHYEAKSA-N 441.896 2.320 0 40 IEAB Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1 3443688 HQFDKFPIZRMUHP-UHFFFAOYSA-N 441.893 2.219 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc4c(c3)OCCO4)CC2)cc1 3523035 RHMGDWSQGOLLRC-UHFFFAOYSA-N 448.566 2.391 0 40 IEAB O=C1N[C@H]2c3c(I)sc(I)c3C(=O)[C@@H]2O1 5847550 UWDMOILRXVLKCY-WVZVXSGGSA-N 446.991 2.303 0 40 IEAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 8750555 GMLHSTHPKUMRMC-NRFANRHFSA-N 441.465 2.242 0 40 IEAB O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCOCC1)c1cccnc1 8770572 HSSVQMUVRBUCRB-PYCFMQQDSA-N 429.889 2.196 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCC[C@H](C(N)=O)C2)cc1 8900871 SGLDBSQOULBARY-HNNXBMFYSA-N 425.514 2.441 0 40 IEAB O=C(COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)s1 9439930 PSSHSUKWERAELN-DGCLKSJQSA-N 447.893 2.091 0 40 IEAB Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1S(=O)(=O)N1CCOCC1 9580276 WUBQRXSJOKVMRD-UHFFFAOYSA-N 428.466 2.375 0 40 IEAB CCOC(=O)N1CCc2c(sc(NC(=O)[C@@H]3COc4ccccc4O3)c2C(N)=O)C1 9638986 QESBHVQVXZZFBA-AWEZNQCLSA-N 431.470 2.140 0 40 IEAB O=C(CSc1nnnn1C1CCCC1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9819687 VVTLUMUGMSACFM-QGZVFWFLSA-N 435.575 2.096 0 40 IEAB COc1ccc(OC)c(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)c1 9857397 NDHLXAIOEFTSDR-UHFFFAOYSA-N 434.456 2.001 0 40 IEAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 11694418 VOFNPYHWYTUKBX-UHFFFAOYSA-N 446.504 2.420 0 40 IEAB COc1ncccc1[C@@H](Cc1ccsc1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 12228887 RROZQKKHSCRZIY-IIBYNOLFSA-N 428.514 2.272 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCc3ccccn3)CC2)cc1 12324691 LQIKHUCZVANGGT-UHFFFAOYSA-N 444.557 2.441 0 40 IEAB CNS(=O)(=O)c1ccc(F)c(C(=O)NCCc2ccc(OC(F)F)c(OC)c2)c1 12777305 XMNXMBOLNQCUNB-UHFFFAOYSA-N 432.420 2.316 0 40 IEAB O=C(c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)N1CCN(Cc2cccs2)CC1 13102495 BARCWMFXMJHKMC-GOSISDBHSA-N 449.598 2.163 0 40 IEAB CCN(CC)C(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 15279775 LKXZFADWVFKRDP-UHFFFAOYSA-N 439.578 2.343 0 40 IEAB Cn1c(=O)n(C)c2cc(CN3CCC(c4cc(=O)[nH]c(-c5ccccn5)n4)CC3)ccc21 19289794 QNOIMGTZDGNVJA-UHFFFAOYSA-N 430.512 2.402 0 40 IEAB NC(=O)[C@@H]1CCCN(C(=O)c2cc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)no2)C1 19293694 CKIPOLRTJMGRDW-QGZVFWFLSA-N 442.491 2.100 0 40 IEAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)N3CCCC(C)(C)C3)CC1)CNC2=O 19461203 CEMGKDWPEFKMRH-XMMPIXPASA-N 443.544 2.217 0 40 IEAB Cc1nccn1CC1CCN(C(=O)[C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 19748028 RHWCBRUYZUCAKD-SFHVURJKSA-N 434.537 2.280 0 40 IEAB Cc1ccccc1NC(=O)CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2 22908970 VLJVZOBAHJZCCH-UHFFFAOYSA-N 442.585 2.494 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)C(=O)N2CCN(C)CC2)cc1 22996817 UULJKMQATCZXIZ-UHFFFAOYSA-N 448.520 2.131 0 40 IEAB Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c(C)s1 30497054 ZTIPNOUNWAGZDK-UHFFFAOYSA-N 436.527 2.338 0 40 IEAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1nnc2n1CCC2)c1cccs1 32889128 QOCLUNQUWPIZSH-QGZVFWFLSA-N 434.525 2.425 0 40 IEAB CC(=O)c1ccc(N2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)cc1 35300845 SCPXWPWDCPAFKA-UHFFFAOYSA-N 426.542 2.299 0 40 IEAB CCCNC(=O)CN(CCC)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 40155303 WTHCBZKNJNFFMJ-UHFFFAOYSA-N 449.617 2.341 0 40 IEAB O=C(NCc1ccco1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945847 TWIHWHHHDJHUCZ-HXUWFJFHSA-N 440.475 2.308 0 40 IEAB COC(=O)c1ccc(NC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)cc1 57507073 XERJKFUVJRGUFJ-UHFFFAOYSA-N 445.526 2.440 0 40 IEAB O=C(CN1N=C(C(=O)Nc2ccc(F)cc2)CCC1=O)Nc1ccc2c(c1)OCCO2 67336787 DUIKLACEPRQAGQ-UHFFFAOYSA-N 426.404 2.153 0 40 IEAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 72284243 VPLXUYHDNQCUAV-GFCCVEGCSA-N 439.896 2.138 0 40 IEAB CC[C@H](C)NS(=O)(=O)c1cnn(-c2ccc(C)c(S(=O)(=O)N[C@@H](C)CC)c2)c1 84726621 HUPVCVIOSJLHIU-GJZGRUSLSA-N 428.580 2.334 0 40 IEAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3ccccc3C)CC2)O1 96144885 URMJNYXAYPRBOP-SFHVURJKSA-N 446.573 2.139 0 40 IEAB COc1cccc(C(=O)N2CCC3(CC2)C(=O)N(C)CCN3Cc2csc(C)n2)c1 96230308 GFWXMTDNYQSYIT-UHFFFAOYSA-N 428.558 2.409 0 40 IEAB C/C=C\c1ccc(OC[C@@H](O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(OC)c1 96991150 FYNCHQJBYNQANM-SCOBNMCVSA-N 426.391 2.448 0 40 IEAB O=C(NCc1ccc(F)cc1)[C@@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2 101007737 CITAKIRGUNADEB-WJPUGNRLSA-N 446.500 2.455 0 40 IEAB COc1cc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1 104669986 CZIINAMBNDDHEA-KHSSZTOVSA-N 429.473 2.258 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NCC)cc1 222714101 ALGDSCGGWFHEHS-GOSISDBHSA-N 445.585 2.471 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223209178 IMKKHSXINIBHEG-LJQANCHMSA-N 435.521 2.145 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccccc1Cl 224578590 JZGLFABCQQHXQR-UHFFFAOYSA-N 435.977 2.446 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@]21O3 245229890 IBMQHRGDYFQPOV-ZKEBBBNJSA-N 429.561 2.053 0 40 IEAB O=C1COC(=O)N1C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 253404534 RCXPJNHWASMOHS-UHFFFAOYSA-N 426.800 2.491 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)cc1C 260746559 SKVHPJVKZJFTPW-KRWDZBQOSA-N 445.541 2.071 0 40 IEAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)C(=O)NCCCOC(C)C 408709722 GKOLQENUXMVPLO-UHFFFAOYSA-N 427.501 2.495 0 40 IEAB C[C@@]1(O)CCN(C(=O)N2CCOCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 604383277 RJZLCJJZIAJSBP-CNNODRBYSA-N 429.542 2.497 0 40 IEAB biogenic,in-vitro O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 615270384 GBQCIVPOOSOZOQ-UHFFFAOYSA-N 432.477 2.125 0 40 IEAB CN(C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1639108859 OMIWSMZTIQXEMZ-CQSZACIVSA-N 431.942 2.363 0 40 IEAB CN(C[C@H](O)c1ccccc1Br)C(=O)NCc1ccc(-n2cncn2)nc1 1666350017 GZAKZLGURZTWGH-INIZCTEOSA-N 431.294 2.300 0 40 IEAB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2S(=O)(=O)C(F)F)CN(C)C1=O 1888878947 KVAPBVCXBHVYFT-PPLWWYMTSA-N 442.484 2.066 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@H]3C2)c1 1888994474 IPQICWBPQSCMNQ-HOTGVXAUSA-N 442.541 2.347 0 40 IEAB O=C(Cn1nnc(-c2ccc(Cl)cc2-n2cnnn2)n1)Nc1ccc(F)c(Cl)c1 1361456 CGQGTTMIKKXOKA-UHFFFAOYSA-N 434.222 2.400 0 40 IEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 3438723 ZAAIKHDLJCJXDH-JOCHJYFZSA-N 441.509 2.121 0 40 IEAB O=C1NC(=O)[C@H](N(CCN2C(=O)CSC2=O)c2ccc(Br)cc2)S1 9338829 SNBNDNIDZZXGRS-GFCCVEGCSA-N 430.305 2.260 0 40 IEAB CC1(C)Cc2c(sc3c2c(=O)n(CCCO)c(=O)n3CC(=O)Nc2ccccc2)CO1 9410756 XXFNXDGXGWDCGU-UHFFFAOYSA-N 443.525 2.097 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2ncc(C(=O)O)n2-c2ccc(F)cc2)CC1 9490927 CCDCMSZUHQSMSE-UHFFFAOYSA-N 436.465 2.102 0 40 IEAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cc(OC)ccc3OC)nc21 10188014 CNDMFWDSCDFWLR-UHFFFAOYSA-N 435.440 2.291 0 40 IEAB O=C(NCCCN1CCCC1=O)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 10220909 XMVFKRBLKZDSCP-UHFFFAOYSA-N 447.948 2.340 0 40 IEAB Cc1cc(C)nc(SCCn2c(N3C[C@@H](C)C[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248514 XEDPWNDGGILUIS-STQMWFEESA-N 443.577 2.105 0 40 IEAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)ncn3n2)cc1 11666442 VPZQAHWCFJLOCJ-UHFFFAOYSA-N 447.451 2.367 0 40 IEAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NCc1cccnc1 12233384 PLFJBVROGFEDGL-MRXNPFEDSA-N 436.472 2.470 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C3CC3)n2C2CC2)C1=O 12621973 CAKMRYVGNDVIKP-NRFANRHFSA-N 440.529 2.471 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccc(Cl)c3)CC2)cc1 12772222 VCVBFPXUCOZEMD-UHFFFAOYSA-N 444.962 2.480 0 40 IEAB NC(=O)c1ccc(C(F)(F)F)n(Cc2nc3ccccc3c(=O)n2Cc2ccco2)c1=O 12777390 FOWUJQDKRNTRSG-UHFFFAOYSA-N 444.369 2.366 0 40 IEAB Cc1sc2[nH]c(CN3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(=O)c2c1C 12783984 ASATWUOELONCFW-UHFFFAOYSA-N 426.498 2.288 0 40 IEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc(I)cc1 12893229 HGKJPLWAAVWJQD-UHFFFAOYSA-N 444.294 2.270 0 40 IEAB COc1cccc(-n2c(=O)n(CC(=O)c3ccccc3F)c3c(C(N)=O)nc(C)nc32)c1 13228029 WXHZHONTSNZAQW-UHFFFAOYSA-N 435.415 2.020 0 40 IEAB COc1ccc([C@@H]2C/C(=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)NN2)c(OC)c1 13576001 JURIYRWXWHGNFI-ROAZCBAYSA-N 442.859 2.433 0 40 IEAB Cc1cc(C)c2sc(N3CCN(C(=O)[C@@H]4CCCN(S(C)(=O)=O)C4)CC3)nc2c1 13790585 XBXDSQLPUYOXRI-MRXNPFEDSA-N 436.603 2.233 0 40 IEAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2ccsc2)CC1 14166132 CVKJFTWIZGKCST-IBGZPJMESA-N 437.562 2.385 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2nnnn2-c2ccccc2)ccc1OC 17748112 PRFHSPHWWPUPSG-UHFFFAOYSA-N 445.501 2.058 0 40 IEAB CCOc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 18591720 KKSVWHBFOLMPSY-AWEZNQCLSA-N 425.441 2.321 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@H]1c1ccc(F)cc1 20674749 YLXNIKMINVGLMS-UXHICEINSA-N 442.466 2.493 0 40 IEAB COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 22227835 MYVZKYYGPHNGQO-UHFFFAOYSA-N 438.571 2.309 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c(OC)c1 22610378 OXXAKSFNBXBHSX-CQSZACIVSA-N 441.488 2.088 0 40 IEAB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)c(OC)c1 23106940 HPGUYGUJRNOXHS-HXUWFJFHSA-N 427.501 2.140 0 40 IEAB Cn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(C(=O)c4ccccc4)CC3)nc12 32811005 YELHPNOSPGGQKO-UHFFFAOYSA-N 434.525 2.133 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 32814830 NAZQBZALMHKPGN-FPOVZHCZSA-N 449.573 2.053 0 40 IEAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCN(Cc3ccccn3)CC1)cn2CC(=O)O 36358794 PEGUREJYQVOTKD-JOCHJYFZSA-N 438.484 2.073 0 40 IEAB CC(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 38854448 ZHVMNVDCJZENEL-LJQANCHMSA-N 431.514 2.381 0 40 IEAB COCc1cc(=O)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(N2CCOCC2)n1 67219937 NPXROWQMXVAOMU-UHFFFAOYSA-N 427.288 2.172 0 40 IEAB O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)NCc1cccc(Cl)c1 67318853 PNJGUFYARRMCNN-UHFFFAOYSA-N 439.899 2.444 0 40 IEAB CCCc1sc(NC(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)nc1C(=O)OC 79493797 HKGAAJKHKQNQRA-GFCCVEGCSA-N 440.547 2.307 0 40 IEAB CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 95460088 NQKYDMRITRIIAV-XJUOHMSHSA-N 439.556 2.275 0 40 IEAB Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCCCc4nnc5ccccn45)c3)cc21 95945801 DOWDLTCHHKNWGJ-UHFFFAOYSA-N 427.468 2.334 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 96024361 SCFJGPLRFIQVDB-UHFFFAOYSA-N 440.529 2.316 0 40 IEAB CNC(=O)[C@@]12CCC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)[C@@H]1CN(C)C2 96262411 OPGPWXWRVIHABY-FXAWDEMLSA-N 425.982 2.199 0 40 IEAB COc1ccc(CN2C[C@H]3CN(S(=O)(=O)c4ccc(OC)cc4)CCN3C2=O)cc1 96269082 ICKALYYMRJIAEG-KRWDZBQOSA-N 431.514 2.015 0 40 IEAB biogenic,in-vitro CCOC(=O)c1nn(-c2ccccc2)cc1/C=c1\s/c(=C/C(=O)C(C)(C)C)[nH]c1=O 104279998 KJVMFPNISQDSMJ-UBTMQFKDSA-N 425.510 2.023 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC 223658897 GOOQFABKNOIGJO-UHFFFAOYSA-N 442.921 2.318 0 40 IEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1 224616024 VYEBCQDYUNCFKS-UHFFFAOYSA-N 430.574 2.455 0 40 IEAB CN1CCN(c2nccc(CN3C[C@@H]4CCC[C@@](O)(c5ccc(F)cc5)[C@H]4C3)n2)CC1 248150806 UCOUXTFXVNJXJE-JKFKMHIGSA-N 425.552 2.487 0 40 IEAB COc1ccccc1[C@@H]1CN(C(=O)C(C)(C)NS(=O)(=O)c2cccs2)CCN1C 257262639 LMEMEUSLLCQMQJ-INIZCTEOSA-N 437.587 2.329 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCn2ccnc2)cc1 408592846 MCPSQFOWDRIGBE-OAQYLSRUSA-N 426.542 2.288 0 40 IEAB COC(=O)c1cc(=O)c2cc(NC(=O)C[C@H](c3ccsc3)n3cnnn3)ccc2o1 524733170 BMLXWBNTNZSKPB-CQSZACIVSA-N 425.426 2.246 0 40 IEAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccccc1S(=O)(=O)C(F)F 575606012 JAPNXDJSQNEUFJ-VIFPVBQESA-N 438.378 2.329 0 40 IEAB CC(C)n1nc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2C)c2ccccc2c1=O 577902561 NUBLAGVMANLNSR-UONOGXRCSA-N 432.550 2.031 0 40 IEAB Cc1ccc2nc(COCC(=O)NC[C@@]3(O)CCCN(c4ccc(F)cn4)C3)[nH]c2c1 2037880187 NYTJQIYHSKRYTO-QFIPXVFZSA-N 427.480 2.070 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC 1378836 ZGKBICBXVIXPNX-GOSISDBHSA-N 436.505 2.355 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)Nc1c(C)cccc1C 3231928 ZBSBTWZBADERSK-UHFFFAOYSA-N 446.525 2.428 0 40 IEAB CSc1ccccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 3400885 VNKNBDVTTJFCEQ-UHFFFAOYSA-N 448.566 2.407 0 40 IEAB CCCCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C 6162160 IEXUEQXMXIGVIZ-UHFFFAOYSA-N 446.529 2.226 0 40 IEAB COc1ccc(CNC(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1OC 8719640 AFIYVHCFTRUAMM-DEOSSOPVSA-N 437.496 2.494 0 40 IEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)Cc2ccc3c(c2)CCC3)c(=O)[nH]c1=O 9254681 PBRFBTSYSVEKPE-UHFFFAOYSA-N 448.523 2.030 0 40 IEAB CN(C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 9348692 AGJIQRIKJJYAIX-IAOKNECISA-N 428.919 2.022 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)COc1ccc2c(c1)CCC2 9450962 LKMJVXQDBCLZLW-UHFFFAOYSA-N 446.525 2.295 0 40 IEAB Cc1cc(C)n(-c2nc3c(c(=O)n2CC(=O)Nc2ccc4c(c2)OCCO4)CCCC3)n1 9828806 GAOIUEXYDROIPY-UHFFFAOYSA-N 435.484 2.335 0 40 IEAB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OC 9981235 UDLHUJWJYTUBDP-JTQLQIEISA-N 442.877 2.189 0 40 IEAB NC(=O)c1ccc(NC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)cc1 10166415 QKQHSWUQEVYNBE-UHFFFAOYSA-N 433.464 2.315 0 40 IEAB Cc1cc(C)nc(SCCCn2c(N3CCC[C@@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248791 LBQLKPDWOUEGQW-CYBMUJFWSA-N 443.577 2.249 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3nnc4ccccn34)CC2)cc1C 11545715 DHMLUGKJHWBMBH-UHFFFAOYSA-N 441.557 2.106 0 40 IEAB CC(=O)NCc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)n2)o1 12052987 GCJLAMZAQQDNBV-UHFFFAOYSA-N 442.453 2.136 0 40 IEAB COc1cc(OC)c2cc(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)[nH]c2c1OC 12143529 NYLXMAUQBCCOAS-UHFFFAOYSA-N 428.489 2.366 0 40 IEAB C[C@H](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)NC(=O)c1ccccc1 12796608 ABWFPZQWXHTFTF-QGZVFWFLSA-N 426.492 2.117 0 40 IEAB COc1ccccc1C(=O)NCCC(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 13009341 PQPPNRKJEKSGRK-HXUWFJFHSA-N 429.492 2.144 0 40 IEAB COc1ccc(CNC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1OC 15858236 DNNXZYPUBIXEOX-UHFFFAOYSA-N 438.889 2.354 0 40 IEAB COc1ccc(CN2C(=O)[C@@H]3[C@@H](C(C)C)N[C@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 16033917 GWCLICKBCFVVME-KTIHBUSBSA-N 437.471 2.411 0 40 IEAB CC[C@@H](C)N(C(=O)COc1ccc(Br)cc1C=O)[C@@H]1CCS(=O)(=O)C1 18186655 IQMNHOPLSIPFMC-IUODEOHRSA-N 432.336 2.455 0 40 IEAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)[C@H](C)Oc3ccccc3F)nc2C1 19078769 VNADIXDHVBTMGU-UGSOOPFHSA-N 428.464 2.357 0 40 IEAB COc1cccc(CC(=O)N2CCO[C@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)c1 19692775 CJEPCGYKBDVJNM-FQEVSTJZSA-N 434.500 2.151 0 40 IEAB O=C(CNC1=NS(=O)(=O)c2ccccc21)OCc1nc(-c2ccc(Cl)cc2)no1 22025663 VSQZAYMHZJBHFS-UHFFFAOYSA-N 432.845 2.172 0 40 IEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 25167631 FTXIAPCCMKFITR-GFCCVEGCSA-N 426.907 2.363 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1OCC 25608252 SIYXXJBSMNMFDO-QVKFZJNVSA-N 435.546 2.335 0 40 IEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1ccc(F)cc1 25718828 FQDWPZRETPFQME-UHFFFAOYSA-N 448.447 2.201 0 40 IEAB CCc1ccccc1NC(=O)CNC(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 27864491 NTMBHXOXZKFQMO-QFIPXVFZSA-N 444.438 2.049 0 40 IEAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@H](c3cccs3)N3CCOCC3)c(C)c12 31659457 XTYZFLDOYQNFHQ-QGZVFWFLSA-N 443.573 2.062 0 40 IEAB Cc1nc(COc2ccccc2C(=O)NCc2ccccc2S(=O)(=O)N(C)C)no1 32883855 VRBLQCSPGWBITO-UHFFFAOYSA-N 430.486 2.137 0 40 IEAB Cn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nc2cc(S(N)(=O)=O)ccc21 32946671 BTYHXQADODQFHE-UHFFFAOYSA-N 434.587 2.398 0 40 IEAB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)Oc2ccccc21 44938459 XAVKHNXLSRMEEK-IBGZPJMESA-N 429.498 2.369 0 40 IEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCCN2CC(=O)N2CCC2)cc1 72345665 AZELPFYGJVHREC-NRFANRHFSA-N 437.544 2.483 0 40 IEAB COc1ccc2c(c1)OC1(CCN(C(=O)[C@H](C)Cn3nc(C)cc3C)CC1)CNC2=O 72393340 ZTXJRZSMTRKDRO-OAHLLOKOSA-N 426.517 2.328 0 40 IEAB COC(=O)c1nc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)sc1C(C)C 72405029 AEKCSSAOLTYNPG-UHFFFAOYSA-N 437.499 2.226 0 40 IEAB Cc1ccccc1NC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 79059313 NLEDAJWJWMNBDX-UHFFFAOYSA-N 438.550 2.094 0 40 IEAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2ccc(F)cc2)CC3)C1=O 96144448 HKIIWBGUBOFVNU-XMMPIXPASA-N 444.551 2.213 0 40 IEAB CN1CCN(C(=O)c2ccc3ccc(N4CCN(C(=O)c5ccccc5)CC4)n3c2)CC1 96155992 NUOMZCXXVLWKTC-UHFFFAOYSA-N 431.540 2.289 0 40 IEAB O=C(c1cccs1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ccccn3)C[C@@H]2C1 96251486 UEUWKTGGZKGRLU-MBSDFSHPSA-N 440.569 2.361 0 40 IEAB COc1cc(CNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc(OC)c1OC 220094005 CHUPZYGEDJXRNF-UHFFFAOYSA-N 444.456 2.073 0 40 IEAB O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220871238 DEBWNILDTOMQAM-KRWDZBQOSA-N 434.500 2.458 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)COc2cccc3c2CCCC3)cc1 224265842 JXZSFWOIBJRGQS-UHFFFAOYSA-N 432.542 2.390 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)N[C@H]3C[C@@H]4C(=O)Nc5ccccc5N4C3)n(C)n2)c1 225628471 SDTTVJLKNYSIBW-LHSJRXKWSA-N 447.495 2.434 0 40 IEAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCCCn1ccnc1 408620365 MCUAEWHXGBLODJ-UHFFFAOYSA-N 430.505 2.420 0 40 IEAB CN(Cc1cnc(N(C)C)nc1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 506639374 YVTQEWFEPOXXEC-UHFFFAOYSA-N 447.546 2.464 0 40 IEAB O=C(COc1ccc(F)cc1)N1CCN(C(=O)c2cnn(CCC(F)(F)F)c2)CC1 543152729 BRSXEBSZHREPTD-UHFFFAOYSA-N 428.386 2.338 0 40 IEAB O=C(N[C@@H](Cc1ccccc1)c1nc(O)n[nH]1)c1cc(N2CCNC2=O)ccc1Cl 1151372190 VJCYTYFNYVKSGO-INIZCTEOSA-N 426.864 2.407 0 40 IEAB O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1556652424 HFTPTXVXYWIIPU-JSXRDJHFSA-N 425.485 2.190 0 40 IEAB COc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCCC1 3398735 LPBUYAXDZGLOKH-UHFFFAOYSA-N 446.525 2.223 0 40 IEAB COc1ccccc1CNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 6298464 QQNDRYXJFBLBBD-UHFFFAOYSA-N 446.525 2.343 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)c1[nH]c(C)c(C(C)=O)c1C)c(=O)n2Cc1ccccc1 8725545 HQMSYXXXSMXLPA-UHFFFAOYSA-N 447.495 2.458 0 40 IEAB Cn1c(=O)c2c(nc(Br)n2Cc2cccc(Br)c2)n(C)c1=O 8816595 XYAJYWGWNKJSRR-UHFFFAOYSA-N 428.084 2.007 0 40 IEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)O[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 8880113 UHILHRDRGJHPDJ-XIKOKIGWSA-N 447.438 2.389 0 40 IEAB COc1ccc(C(c2c(O)cc(C)n(C)c2=O)c2c(O)cc(C)n(C)c2=O)c(OC)c1 9304997 DSYFWBKAOMXOTD-UHFFFAOYSA-N 426.469 2.309 0 40 IEAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 9545450 HEDXAUYOGFEVDS-UHFFFAOYSA-N 447.542 2.205 0 40 IEAB COc1ccc(C(=O)N2CCC(N[C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 9933861 FPIOVJCHZBZYNR-FQEVSTJZSA-N 425.460 2.361 0 40 IEAB COc1cn(CC(=O)Nc2ccc(C(N)=O)cc2)c(CSc2nnc(C)s2)cc1=O 10254806 PSXDMDYFBJXSPY-UHFFFAOYSA-N 445.526 2.047 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2ccc(NC(=O)c3ccccc3F)nn2)CC1 11738874 DPSIJMAIPCUSAD-UHFFFAOYSA-N 447.492 2.261 0 40 IEAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C1=O 11859490 UYIQVOUOLWBPNT-UHFFFAOYSA-N 427.526 2.352 0 40 IEAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11904503 NIETWYVHHCGJDM-UHFFFAOYSA-N 430.891 2.216 0 40 IEAB C[C@@H]1CN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccc(F)cc4)c(=O)n32)C[C@@H](C)O1 12233292 HAPLPJWOJVSQND-XJKCOSOUSA-N 443.504 2.394 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccc(OC)cc2)c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21 12276794 YCKPTJLMTNAANF-UHFFFAOYSA-N 449.442 2.409 0 40 IEAB CCCn1c(=O)c2c(nc3n(CCc4ccc(OC)c(OC)c4)c(C)cn23)n(C)c1=O 12547152 YTNCGYAGHMPELP-UHFFFAOYSA-N 425.489 2.128 0 40 IEAB O=C(COc1ccc(F)c(Cl)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12782257 ICNXRVNBELXXKA-LJQANCHMSA-N 434.851 2.369 0 40 IEAB C[C@@H](Sc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)C(=O)N1CCNC1=O 13121089 NGYMLQWGMBQPKF-GFCCVEGCSA-N 438.531 2.035 0 40 IEAB CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2nc3c(Cl)cccc3s2)CC1 16974908 RLQUQQIEZRFZGO-ZDUSSCGKSA-N 428.967 2.022 0 40 IEAB COc1cccc(OC)c1OCC(=O)N1CC[C@@H](c2nc(-c3cccnc3)cc(=O)[nH]2)C1 19568186 QOZYYKJZCJJNRN-MRXNPFEDSA-N 436.468 2.244 0 40 IEAB Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 19577590 MSYFSQRXEBFRJC-UHFFFAOYSA-N 435.456 2.364 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccccc3C)C1)C2=O 19699937 UAPMLUQGQDWUMV-FQEVSTJZSA-N 426.561 2.325 0 40 IEAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 22473713 NWCCIQPAMSLQBR-JOCHJYFZSA-N 428.439 2.081 0 40 IEAB CCOc1ccc(-n2ncc(C(=O)Nc3cccc(S(=O)(=O)NC4CC4)c3)c2C)nn1 23756366 NQIMJJCMXXRLHA-UHFFFAOYSA-N 442.501 2.062 0 40 IEAB Cc1cc(CSc2ccccc2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)no1 23995529 BMNBMGSQBKKXLC-QGZVFWFLSA-N 435.571 2.220 0 40 IEAB Cc1cc(N2CCN(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)CC2)nc(C(C)C)n1 24219243 HBGZTOPVCOPPDC-UHFFFAOYSA-N 442.564 2.154 0 40 IEAB CN(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccsc1 26392751 GVCGVSWASGQGCR-QGZVFWFLSA-N 440.566 2.206 0 40 IEAB COc1cc2c(cc1OC)CN(CC(=O)NCC1(N3CCOCC3)CCCCC1)CC2 30673020 OGIJEVQEUFQTAL-UHFFFAOYSA-N 431.577 2.213 0 40 IEAB CC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)ccc2c1=O 32636747 NSPKMROSAKGKPX-NRFANRHFSA-N 436.512 2.074 0 40 IEAB C[C@H](OC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 34884298 YKWRDYVUZFAUST-KKUMJFAQSA-N 446.525 2.123 0 40 IEAB CCN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)C[C@H]1COc2ccccc2O1 36726051 JODHMTJVPZZRGP-KRWDZBQOSA-N 429.542 2.194 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)cc1 44002188 BKEICYZSGWEJOB-JXMROGBWSA-N 445.541 2.212 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)O2 44786679 KFSWLVJUPXKGMH-FQEVSTJZSA-N 443.525 2.397 0 40 IEAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2ccc(OC)c(OC)c2)c1=O 44840711 ZGLQJKHLTDSNCR-OAHLLOKOSA-N 425.485 2.468 0 40 IEAB COc1cc(OC)cc([C@H](NC(=O)[C@@H]2CCCN(c3cnccn3)C2)c2nccn2C)c1 58162759 LGVNYOPFMZGOOE-IERDGZPVSA-N 436.516 2.350 0 40 IEAB CCS(=O)(=O)N(C)CCCNC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1 58440304 HYBHKXHPNMLJJI-UHFFFAOYSA-N 432.546 2.410 0 40 IEAB CCC[C@@H]1CN(CC(=O)N(C)c2nccs2)CCN1CC(=O)N(C)c1nccs1 79058932 VMUBOXLVEJBPMQ-OAHLLOKOSA-N 436.607 2.012 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(CC2CCCC2)C(=O)C1 89787434 LCTPURQEPCOEPH-UHFFFAOYSA-N 447.601 2.265 0 40 IEAB COCCN(CC(=O)OC)C(=O)CCn1cnc2scc(-c3ccc(C)cc3)c2c1=O 95397101 FVUSDZOSJVPAHI-UHFFFAOYSA-N 443.525 2.472 0 40 IEAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@]3(C)CCC(=O)N3)CC2)cc1 95456806 SOQYDVXZUVQZRF-JTSKRJEESA-N 435.590 2.482 0 40 IEAB O=C(NCCc1ccc(O)cc1)C(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccccc21 101455815 OLTRJHHAXXJHOR-JOCHJYFZSA-N 429.476 2.455 0 40 IEAB COc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1OC 220229178 FDYQSEINUBWTFX-QGZVFWFLSA-N 447.557 2.207 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1 222547794 LQUCZKIVXDYGDB-UHFFFAOYSA-N 431.558 2.272 0 40 IEAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 223786863 FTPKTJIIFDHRNQ-UHFFFAOYSA-N 435.502 2.002 0 40 IEAB COc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)cc1C(=O)NC(C)C 223906070 XRWOBQPIKPTFFJ-UHFFFAOYSA-N 430.486 2.362 0 40 IEAB Cc1noc(-c2ccn3c(CNC(=O)[C@@H]4CCCN(C(=O)OC(C)(C)C)C4)nnc3c2)n1 225745189 ULVQGAXRYXSZMO-OAHLLOKOSA-N 441.492 2.351 0 40 IEAB Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O[C@H](C)C(=O)NC(C)(C)C)[C@H]4C2=O)c(C)c1 245227756 UKQQBDFNACHYKG-UGUXIJLMSA-N 426.513 2.436 0 40 IEAB O=C(N[C@@H]1CCc2cc(Br)ccc2NC1=O)c1ccc2c(c1)C(=O)NC2=O 1559027973 VWYBLJQIOARQDD-OAHLLOKOSA-N 428.242 2.016 0 40 IEAB O=C(NCc1ccc(F)cc1)[C@@H]1C[C@@]2(CO1)CN(c1cc(C(F)(F)F)ncn1)CCO2 2056226680 XRXYZUHUAKGQDK-KXBFYZLASA-N 440.397 2.315 0 40 IEAB O=C(Cc1ccc(Br)cc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3318178 ASXQKAQKXKKEFA-UHFFFAOYSA-N 435.274 2.112 0 40 IEAB CC(C)NC(=O)NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 3433364 YVEFGYHRZHWNIG-UHFFFAOYSA-N 437.449 2.018 0 40 IEAB Cc1cc(C)c(S(=O)(=O)NCCCC(=O)O)cc1N(C)S(=O)(=O)c1ccccc1 8754014 WJHYUMIJGLWIDJ-UHFFFAOYSA-N 440.543 2.272 0 40 IEAB O=C(Cn1nnc(COc2ccccc2)n1)NCc1ccc(C(=O)N2CCCCC2)cc1 8770968 HYPLQXIVBMFEMY-UHFFFAOYSA-N 434.500 2.195 0 40 IEAB NC(=O)C1CCN(C(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)CC1 8852182 RSUKJJZMFPNVIM-UHFFFAOYSA-N 436.534 2.279 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc2C1=O 8974768 TUMQRXXDAKPZGY-UHFFFAOYSA-N 437.496 2.290 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@H]1c1ccccc1 9191959 QORULABJZBZISM-SFTDATJTSA-N 436.512 2.224 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)CC)c2ccccc2O1 10009226 DMICQNHETKZSRT-LJQANCHMSA-N 431.514 2.382 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc2n1CCCN(C)C 10104037 XFGWPGOMLAWYKO-UHFFFAOYSA-N 442.951 2.420 0 40 IEAB COc1ccccc1NS(=O)(=O)c1cc(N2CCCCS2(=O)=O)ccc1OC 11906643 YZNVADQPOVLRTD-UHFFFAOYSA-N 426.516 2.435 0 40 IEAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCC(n2nnc(-c3ccc(F)cc3)n2)CC1 12143217 LNFFISDQCTZAJH-UHFFFAOYSA-N 433.447 2.122 0 40 IEAB COc1cccc(-n2c(=O)n(CC(=O)c3ccc(C)cc3C)c3c(C(N)=O)nc(C)nc32)c1 13226937 IFSUHQXBKPROPM-UHFFFAOYSA-N 445.479 2.498 0 40 IEAB Cc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)cc1 13505880 VLBKMGRFZRBEQJ-SFHVURJKSA-N 428.489 2.339 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)CC1 15861424 QLKMJVYZPHHHPD-UHFFFAOYSA-N 432.546 2.487 0 40 IEAB Cc1ccc(C(=O)N2CCC(O)(Cn3cnc4sc(C)c(C)c4c3=O)CC2)c(O)n1 19134588 GWXNSCJIWUZMHV-UHFFFAOYSA-N 428.514 2.151 0 40 IEAB CC(C)NC(=O)[C@H]1CN(Cc2ccccc2)C[C@@]12CCc1ccccc1[C@@H]2NC(=O)CN 19449792 GFBYBDVHHHAIFG-CWDLOFLHSA-N 434.584 2.392 0 40 IEAB COc1cc(C)ccc1CNCCc1nc(N2CCOCC2)ncc1C(=O)N1CCCC1 19697813 QAAPAAMKCRRSOG-UHFFFAOYSA-N 439.560 2.199 0 40 IEAB Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(CN2CCOCC2)cc1 20178117 QZYMQKNOYXANNK-UHFFFAOYSA-N 434.543 2.006 0 40 IEAB O=C(CSc1nnc(N2CCN(c3ccc(F)cc3)CC2)s1)NC[C@H]1CCCO1 23139840 GWNCDQWMDCVOIZ-MRXNPFEDSA-N 437.566 2.391 0 40 IEAB CN(C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Cc1ccccc1 23817396 BVMSFELBSSNUAX-FQEVSTJZSA-N 448.564 2.015 0 40 IEAB O=S(=O)(c1ccccc1Br)N1CCN(Cn2ncsc2=S)CC1 24766659 SEIBMZXZDOPYRO-UHFFFAOYSA-N 435.394 2.401 0 40 IEAB CC1(C)[C@H]2CC=C(COC[C@H](O)CN3CCN(S(=O)(=O)c4ccccc4)CC3)[C@@H]1C2 25561375 VXYHEQRLQJPEOZ-VWPQPMDRSA-N 434.602 2.363 0 40 IEAB CN(C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)c1ccsc1 26392747 GVCGVSWASGQGCR-KRWDZBQOSA-N 440.566 2.206 0 40 IEAB O=C(NCCN1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 30634676 ZWXDRPSSLWUAID-NRFANRHFSA-N 427.570 2.262 0 40 IEAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)Cn2cnc3ccccc32)c1=O 36653818 MSXCIJVFEOPGCK-UHFFFAOYSA-N 441.495 2.116 0 40 IEAB CCN1CCN(c2ncc(-c3cc(=O)[nH]c(N4CCc5ccccc5C4)n3)c(C)n2)CC1 39383785 CDJUYKGYUSUOTN-UHFFFAOYSA-N 431.544 2.240 0 40 IEAB COc1ccc(Br)c(C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)c1 44003858 IKSUTEFDXCFSOM-UHFFFAOYSA-N 431.352 2.392 0 40 IEAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccccc4F)CC3)snc2c1=O 49409846 PHVNTEQXDXKSAN-UHFFFAOYSA-N 431.493 2.048 0 40 IEAB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC3CC3)C2)C1 69950895 AQUHYTGJKIJGKK-LSDHHAIUSA-N 449.349 2.280 0 40 IEAB O=S(=O)(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1ccc2c(c1)CCCC2 70924556 LFCDOFIYSBRONB-UHFFFAOYSA-N 449.598 2.340 0 40 IEAB C[C@@H](C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1)n1nc2ccccc2n1 72325353 JJKCQGMJQDQRJQ-UPCLLVRISA-N 446.511 2.326 0 40 IEAB C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326300 MSGKXUZRLGVXRO-PEBXRYMYSA-N 441.919 2.304 0 40 IEAB COC(=O)[C@H]1[C@@H](C(=O)OC)[C@@]23C=C[C@H]1[C@@]1(C)Oc4c(OC)ccc5c4[C@]21CCN(C)[C@@H]3C5 100393677 QCYVGCPBTZGMEM-LDHJJUCLSA-N 439.508 2.109 0 40 IEAB biogenic,in-vitro COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1 222549316 XOAKHNBEADCDOG-QGZVFWFLSA-N 445.541 2.071 0 40 IEAB CCOc1ccc(-c2noc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 223612608 BHWLOGZOZTYGGY-UHFFFAOYSA-N 437.499 2.017 0 40 IEAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCN3CCCC3=O)ccc2C)cc1 224327385 NDCXSRSZZQTYEN-UHFFFAOYSA-N 445.541 2.181 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc(N2CCOCC2)cc1 225016792 QTBOQGQICZCSSX-UHFFFAOYSA-N 447.557 2.353 0 40 IEAB CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)c1cccc(OCCN)c1 257224336 FBJNIRKQHGSTOG-UHFFFAOYSA-N 435.528 2.071 0 40 IEAB Cc1ccc2nccc(N3CC[C@](O)(CNC(=O)CC4(CC(=O)O)CCCC4)C3)c2n1 257275778 NQVRJIBUGXZXFO-QHCPKHFHSA-N 426.517 2.421 0 40 IEAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260707797 BZXSPPXXXLKOLE-IXDOHACOSA-N 434.610 2.261 0 40 IEAB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C1=O 408594572 UCSPSPUMDYYQMU-OVCLIPMQSA-N 447.806 2.474 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)c1 408645045 JNNSSTNKJFGENY-HNNXBMFYSA-N 425.441 2.188 0 40 IEAB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(N)=O)c(OCC)c2)C1=O 409208360 FMJLRLFZLAPGCW-YBEGLDIGSA-N 436.486 2.329 0 40 IEAB COCCn1cnc2c(N3C[C@H]4CN(c5ncnc(C(C)C)c5F)C[C@@H]4C3)ncnc21 1888913897 KWPNSIPOJDPCMB-HUUCEWRRSA-N 426.500 2.098 0 40 IEAB CCOC(=O)c1cnn2c(-c3cccc(N4C(=O)[C@@H]5[C@H]6CC[C@H](O6)[C@@H]5C4=O)c3)ccnc12 2730950 OUQYAYDPARSMDI-QGFMHUBQSA-N 432.436 2.240 0 40 IEAB NC(=O)C1CCN(C(=O)CCCCCn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)CC1 2974388 VKDRTFSQOGZBAY-UHFFFAOYSA-N 446.529 2.072 0 40 IEAB COc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 3486999 ACUABNVKCUAKKR-UHFFFAOYSA-N 430.935 2.044 0 40 IEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@H](C)C(=O)O)CC1 8790110 OBTZKGKFJMXNSU-VXLLPVPCSA-N 441.569 2.438 0 40 IEAB biogenic CC(=O)NC1=NN(C(C)=O)[C@]2(S1)C(=O)N(Cc1ccncc1)c1ccc(Cl)cc12 8993393 AFRVLYKKIYBWPY-LJQANCHMSA-N 429.889 2.437 0 40 IEAB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)n1 9049388 IWVUPLHMQIRSIX-UHFFFAOYSA-N 447.904 2.270 0 40 IEAB CS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)[C@@H](c3ccc4nccnc4c3)C2)c1 9060589 VJDZVBBANIUOAL-LJQANCHMSA-N 445.526 2.112 0 40 IEAB COc1ccc(-c2nnc(S[C@@H](C(=O)N3CCOCC3)c3ccccc3)n2N)cc1 9595111 RNEIGNVDVYOXAC-GOSISDBHSA-N 425.514 2.360 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)CC2=O)cc1 9631883 VGWUFWMFCNWKAE-QGZVFWFLSA-N 443.525 2.008 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H](c2ccc(C)cc2)n2nnnc2N1 10232333 PRADGVOLJNBAHP-LJQANCHMSA-N 435.440 2.324 0 40 IEAB COc1ccccc1CNC(=O)CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2 10255401 AXMSNVMRXTYHNI-INIZCTEOSA-N 429.542 2.328 0 40 IEAB CC(C)CN(C(=O)COc1ccc(Br)cc1C=O)[C@@H]1CCS(=O)(=O)C1 13007106 GHROMOUEWPQEJX-OAHLLOKOSA-N 432.336 2.312 0 40 IEAB CCOc1ccc(OCCC(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 13101715 BRNOSBVHCPJVDW-AWEZNQCLSA-N 436.486 2.072 0 40 IEAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N[C@@H]1CCS(=O)(=O)C1 13121134 OMFCDGBCCWGQAV-NWDGAFQWSA-N 426.589 2.049 0 40 IEAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCCN21 15955113 GYKFICCLCYUNRY-MDTICMOCSA-N 431.448 2.155 0 40 IEAB biogenic O=C(CCNC(=O)c1ccco1)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 15994051 DOHFGLTUOSABOU-VBKFSLOCSA-N 431.445 2.391 0 40 IEAB COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(N)=O)=C(C)N=3)cc1 16740770 PGLRQFWMFZLKLV-GTENMVSRSA-N 439.924 2.383 0 40 IEAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 17846768 JIGVVEYNZNTXCU-UHFFFAOYSA-N 440.525 2.169 0 40 IEAB COc1ccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 19797251 DGGYLQQEGRNWPZ-OALUTQOASA-N 443.974 2.120 0 40 IEAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20459829 AKJQOMZJLLOLOK-IFXJQAMLSA-N 431.514 2.381 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 20504076 RDYYNNNAKVQNDY-MTXNFPGFSA-N 431.448 2.043 0 40 IEAB O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)NCc1ccco1 22807566 OHYMYCHERGAUCJ-UHFFFAOYSA-N 437.496 2.246 0 40 IEAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(CCN2CCCC2)CC1)c1ccccc1 23257352 XFSNWJGRVIUSSF-DEOSSOPVSA-N 434.584 2.268 0 40 IEAB COCc1c(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)sc2cccc(F)c12 23864983 LFRKCGSSUSLFIN-ZDUSSCGKSA-N 426.535 2.132 0 40 IEAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCc2ccc(Cl)cc2)C1=O 24876345 PDACXTPUTYOQRZ-OAQYLSRUSA-N 429.860 2.238 0 40 IEAB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NC[C@@H](c3cccs3)N3CCOCC3)c(C)c12 31659461 XTYZFLDOYQNFHQ-KRWDZBQOSA-N 443.573 2.062 0 40 IEAB CC(C)NS(=O)(=O)c1cccc(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)c1 32796121 FQGUTZSAIFPUBO-UHFFFAOYSA-N 442.541 2.249 0 40 IEAB Cc1nonc1CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)C(C)C)cc23)CC1 36359476 ZBZQZZKCNQRHSN-FQEVSTJZSA-N 440.504 2.397 0 40 IEAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 48366559 WXPMXFUPYZMOPE-HKUYNNGSSA-N 434.479 2.353 0 40 IEAB Cc1c(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)nnn1-c1ccc(Cl)cc1 51317523 JXJHIBMVKQSCGZ-UHFFFAOYSA-N 437.887 2.283 0 40 IEAB Cn1ccnc1CN1C(=O)CO[C@H](c2ccc(NC(=O)Cc3ccccc3)cc2)[C@H]1CO 72321499 IFRAXLJPSHAZPW-HYBUGGRVSA-N 434.496 2.062 0 40 IEAB biogenic,in-vitro O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCCCCc1nnc2ccccn12 72325603 ORYIXRLEAQRVMB-SFHVURJKSA-N 434.500 2.089 0 40 IEAB biogenic Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c1 72350326 OCLFGNNMINUIJB-KRWDZBQOSA-N 425.514 2.149 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3C[C@@H](O)C[C@@H]3c3ccc(F)cc3)C2=O)cc1 95455867 RYWZYJKJTCLJTG-YYDVJCTNSA-N 425.460 2.236 0 40 IEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 102275326 NMKWLIYMUOJKJV-KBPBESRZSA-N 425.466 2.128 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(-n2ccnc2)cc1 222621053 OQJCPAUXIQXURV-UHFFFAOYSA-N 442.541 2.380 0 40 IEAB COc1ccc(OCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 223873585 ZZKATOASKNKWKW-UHFFFAOYSA-N 430.885 2.449 0 40 IEAB COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NC[C@H]2CCCO2)n1 225906432 ZTPADHRQKFLSJW-QGZVFWFLSA-N 428.562 2.277 0 40 IEAB CC(C)(CN1CCOCC1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1 248271365 ZOKCQZXVSRBLOW-SPMMERNZSA-N 427.545 2.168 0 40 IEAB CN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2Cl)CC1 408586827 CBQZFNOPJYKSRG-UHFFFAOYSA-N 441.912 2.433 0 40 IEAB C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1 408614840 ITLZUAZIVCFWSL-HUUCEWRRSA-N 445.903 2.207 0 40 IEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408713014 GMKYFYGKIWWDNM-UHFFFAOYSA-N 429.420 2.211 0 40 IEAB O=C(Cn1ccnc1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575398 RJDMLRPESJOHES-UHFFFAOYSA-N 440.544 2.189 0 40 IEAB O=C1CCc2cc(S(=O)(=O)NC[C@H](O)c3ccc(-c4ccco4)o3)cc3c2N1CC3 1775966207 UMZZVLNYLBSFOH-INIZCTEOSA-N 428.466 2.387 0 40 IEAB Cc1[nH]c(N)nc(=S)c1CCCNc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1 2036588 NBJWSTOWOSNFBZ-OAHLLOKOSA-N 447.517 2.122 0 40 IEAB Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 8901735 FUEGLEMNBUPQAJ-INIZCTEOSA-N 446.554 2.290 0 40 IEAB Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1[C@H]1CCS(=O)(=O)C1 9531656 QPBAAKOVRVFZTI-HNNXBMFYSA-N 447.542 2.121 0 40 IEAB CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccc(OC)cc3OC)c2N)cc1 9677898 UYHFRUTUYSHYNH-UHFFFAOYSA-N 440.460 2.167 0 40 IEAB COc1ccc(Cl)cc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9989665 YOBSRKVBCLFJGK-UHFFFAOYSA-N 430.935 2.361 0 40 IEAB O=C(/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Oc1ccc2ccc(=O)oc2c1 10021886 ZHBYANWQBQAYGF-YCRREMRBSA-N 441.461 2.433 0 40 IEAB Cc1nn(C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 10042893 WSRYZACPLLJFBA-UHFFFAOYSA-N 444.479 2.131 0 40 IEAB O=C(NC1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1)c1ccccc1 10782865 QNPLXXCMKLGYEU-UHFFFAOYSA-N 446.507 2.357 0 40 IEAB COc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)n2C 12139805 FBLZYZMYGCLGEJ-QZQOTICOSA-N 447.538 2.010 0 40 IEAB CC(C)Cn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2ccccc2c1=O 12660250 NHLMRAUJPLKCSU-UHFFFAOYSA-N 446.554 2.431 0 40 IEAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)C1=O 12908534 FHMVJSOLTJWDRY-QRQCRPRQSA-N 425.441 2.182 0 40 IEAB COc1cccc(CNC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c1OC 13992261 WIKLHUJLBQTRGK-UHFFFAOYSA-N 449.463 2.138 0 40 IEAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)Nc1sccc1C(N)=O 16867535 ASENQLGTFGVGCH-GFCCVEGCSA-N 447.488 2.409 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@H]3C(=O)O)CC2)cc1C 17099020 FZACPAHLSHTZRZ-ZYKFHVCXSA-N 434.558 2.273 0 40 IEAB CC(C)n1c(=O)n(CC(=O)N2CCC[C@@H](C)C2)c2c(C(N)=O)nc(-c3cccs3)nc21 19496468 HNRUUOXECZVXNK-CYBMUJFWSA-N 442.545 2.260 0 40 IEAB CCn1c(=O)n(CC(=O)N2CCCC[C@@H]2C)c2c(C(N)=O)nc(-c3ccc(C)s3)nc21 19524214 KMMUUNOWDGALNN-LBPRGKRZSA-N 442.545 2.150 0 40 IEAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)C2=NNC(=O)CC2)C1 19591357 JOPJSOUMSVRTES-VWLOTQADSA-N 448.523 2.135 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(OC(F)F)c1 22659455 KBBDKMUEUYUHQZ-UHFFFAOYSA-N 426.441 2.239 0 40 IEAB NC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 34865445 KFUUULZBQQOVDP-CYBMUJFWSA-N 448.372 2.118 0 40 IEAB O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)cc1F 46080090 SRFHBECLIFNTFQ-UHFFFAOYSA-N 427.407 2.391 0 40 IEAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)Nc2nnc([C@@H]3CCCO3)s2)n1 49545975 QYZOUPBJCLFVAC-AWEZNQCLSA-N 431.449 2.400 0 40 IEAB COc1ccc(NC(=O)C2(NC(=O)c3cnc4ccccn4c3=O)CCCC2)cc1OC 72310318 ANOVNKZNVPVCTH-UHFFFAOYSA-N 436.468 2.393 0 40 IEAB Cc1cc(C)n(CCCC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338875 PEGLXVQPDCBSQG-NRFANRHFSA-N 431.562 2.249 0 40 IEAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)ccc1OCC(N)=O 78935073 ZSMZKFAGLPZMOK-QXLXQBSBSA-N 447.532 2.430 0 40 IEAB O=C(O)COc1cccc(CNC(=O)c2cn(-c3cccc(Br)c3)nn2)c1 95425474 ANGSFHAPRSWJLI-UHFFFAOYSA-N 431.246 2.423 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)O[C@H](C(=O)NCC(C)C)Cn2ccnc23)cc1 96144754 WSIIEOMHUFBVPH-IBGZPJMESA-N 446.573 2.043 0 40 IEAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2C)no1 102129899 SEXLVNNDFVHQFW-IRXDYDNUSA-N 439.468 2.458 0 40 IEAB CCc1ccc(CN(C(=O)C2=C[C@@H]3C=CC=C[C@H]3OC2=O)[C@@H]2CCS(=O)(=O)C2)cc1 103175344 IGOMAWOSTUZDRY-QKNQBKEWSA-N 427.522 2.359 0 40 IEAB COC(=O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)O)C1=O 205674722 DSQDHXKINMQHCX-VZUCSPMQSA-N 430.232 2.122 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222951555 NBKSKFDCEVIIDO-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NCCN2CCOCC2)cc1 222991350 YQWJMBOPVDPUJG-HXUWFJFHSA-N 439.556 2.103 0 40 IEAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223329361 LHBQPWKGJYHJHE-NRFANRHFSA-N 431.558 2.174 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 225421233 AXFCJLLTQIEBMA-KRWDZBQOSA-N 449.548 2.372 0 40 IEAB O=C(CSc1nc2ccccc2o1)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 225600668 JLXGLSAYJZFNTO-UHFFFAOYSA-N 425.514 2.437 0 40 IEAB Cc1nc2cc([C@@H]3CCN(C(=O)c4ccncc4)C3)nn2c(O)c1CCC(=O)NC(C)C 257274206 NJZIOOMKWNHABX-QGZVFWFLSA-N 436.516 2.225 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 257276703 NUVJHJJUQKBPBQ-BEFAXECRSA-N 439.491 2.008 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3CC[C@H](c4ccccc4)S(=O)(=O)CC3)ccc2N1 390830846 NUSTUUNSQJWDCX-LJQANCHMSA-N 434.539 2.122 0 40 IEAB C[C@]12CC(=O)[C@@H]3[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@@]2(O)C1(CO)OCCO1 504454980 WHPHCSOODSGESM-AZRFGPFFSA-N 448.556 2.338 0 40 IEAB in-vitro CCNC(=O)c1ccc(NS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 515633922 KAHVTLLNCDIVEV-UHFFFAOYSA-N 440.499 2.180 0 40 IEAB CN(CC(=O)N1CC[C@@]2(CCN(Cc3ccccc3)C2)C1)S(=O)(=O)c1ccccc1 557116602 BANHNVCWOQGKDV-HSZRJFAPSA-N 427.570 2.432 0 40 IEAB O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCN1CCOCC1 604405133 KSZKNYXUTKEMIY-QHCPKHFHSA-N 448.523 2.030 0 40 IEAB biogenic Cc1nn(C)c(C)c1S(=O)(=O)N(C)C1CN(c2ccc(-c3ccc(F)cc3)nn2)C1 1888914729 MJKKRSLKFLEEBJ-UHFFFAOYSA-N 430.509 2.142 0 40 IEAB Cc1ccc(OC[C@@H](O)CNS(=O)(=O)c2ccccc2C(=O)N2CCCCC2)cc1 864277 MHBBVOYIKNPPIB-SFHVURJKSA-N 432.542 2.339 0 40 IEAB CCOC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](O)c1ccccc1 6547672 GFXBVMOCCVTKRE-CVEARBPZSA-N 428.304 2.393 0 40 IEAB CCN(Cc1ccc(OC)c(F)c1)C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O 9112690 QQCCVRMISQUNBS-UHFFFAOYSA-N 429.370 2.162 0 40 IEAB O=C1CN(C(=O)CSc2nncn2-c2cccc(Cl)c2)C2(CCCCC2)C(=O)N1 9117652 GSSIIAVAIBYXAM-UHFFFAOYSA-N 433.921 2.201 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2[C@H]3C=C[C@]4(CN(c5ccccc5)C(=O)[C@H]24)O3)cc1OC 9304542 FOSYIVZCKGXOGG-TVPUMLRDSA-N 434.492 2.349 0 40 IEAB O=c1[nH]c(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)nc2ccccc12 9410342 CPXYKDPSLRJMNE-DLBZAZTESA-N 426.523 2.198 0 40 IEAB Cc1ccc(NC(=O)CCNC(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCOCC1 9515033 WCBWBERACLTVMR-UHFFFAOYSA-N 446.529 2.166 0 40 IEAB CCOc1ccccc1N1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 9950480 AUNWECDDWNUOFH-FQEVSTJZSA-N 449.617 2.166 0 40 IEAB C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 10344891 CPYIHLPJYUQXKV-BXUZGUMPSA-N 444.579 2.415 0 40 IEAB CCCC[C@H](CC)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 10385589 CLURLWPKPGPXPP-IRXDYDNUSA-N 443.548 2.492 0 40 IEAB CCCn1c(=O)n(CC(=O)Nc2ccc(Cl)cc2)c(=O)c2c1nc(C)n2CCOC 10884003 MYWPAMIZZKMSRD-UHFFFAOYSA-N 433.896 2.017 0 40 IEAB CCS(=O)(=O)c1cc(I)cc(I)c1O 12338470 HHMUIGHZWPTKOV-UHFFFAOYSA-N 438.024 2.395 0 40 IEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCc1ccc(OC(F)(F)F)cc1 12752236 PEXWIFCYYFXXLA-UHFFFAOYSA-N 427.404 2.330 0 40 IEAB Cn1c(CCC(N)=O)nnc1SCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 13119759 JLFHVVGKDKRONH-KRWDZBQOSA-N 437.525 2.492 0 40 IEAB CNS(=O)(=O)Cc1ccc(CNC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 14201652 BRFXYMCJWMUJAS-UHFFFAOYSA-N 432.477 2.174 0 40 IEAB CCCCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 14822717 UJYUOUOKYVAUJX-UHFFFAOYSA-N 427.505 2.103 0 40 IEAB O=C(COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccccc1F 15910564 MRFKZPTVSXJRAT-JXMROGBWSA-N 448.472 2.042 0 40 IEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C(=O)O)C(C)C)CC1 15997061 OYPDPMMOPWYHGV-DLBZAZTESA-N 441.569 2.390 0 40 IEAB COc1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)cc1OC 16735553 FKKIKGFBQQNYPB-WQRHYEAKSA-N 441.896 2.320 0 40 IEAB Cc1csc(C(=O)N2CCC(c3cc(C(=O)N4CCC[C@@H](C(N)=O)C4)on3)CC2)c1 19124486 FYAKPDKXVIBJER-OAHLLOKOSA-N 430.530 2.402 0 40 IEAB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3cccc(F)c3)CC1)C2=O 19699510 YOCODADJIAWCAT-UHFFFAOYSA-N 432.496 2.333 0 40 IEAB CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 19727684 YNQLIWDBDGYHQW-HNNXBMFYSA-N 444.395 2.014 0 40 IEAB CC[C@@H](Sc1nc2cc(OC)c(OC)cc2c2nc(C)nn12)C(=O)N1CCOCC1 20216173 KQTSUHLMFDEMEW-QGZVFWFLSA-N 431.518 2.333 0 40 IEAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@@H]1c1cccc(OC)c1 20328671 QFBSMVXLPYETRB-LJQANCHMSA-N 448.472 2.479 0 40 IEAB COc1ccc(Cn2c(=O)[nH]c(O)c([C@@H]3NCCc4c3[nH]c3ccc(OC)cc43)c2=O)cc1 20610611 NBORDIWHEORJMZ-NRFANRHFSA-N 448.479 2.024 0 40 IEAB biogenic C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O 22805381 NBCOJPMYIDZLMH-NRFANRHFSA-N 428.514 2.019 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3C)CC2)cc1OC 23336314 NILIADJMCFAKST-UHFFFAOYSA-N 428.514 2.466 0 40 IEAB COC[C@H](C)NC(=O)NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 26093934 RMQIYMXRNTWWGT-LBPRGKRZSA-N 432.527 2.400 0 40 IEAB COc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1N1CCCC1=O 28040389 QISNGVVRORPBDK-VHFSOBRXSA-N 432.546 2.486 0 40 IEAB O=C(c1cc(-c2ccc3c(c2)OCO3)n[nH]1)N1CCN(C[C@@H](O)c2cccs2)CC1 49031443 NIJFUDLVBQATGP-QGZVFWFLSA-N 426.498 2.358 0 40 IEAB CN1CCN(S(=O)(=O)c2cncc(Br)c2OCc2ccccc2)CC1 72210914 PXEMIVPVTYIHFB-UHFFFAOYSA-N 426.336 2.359 0 40 IEAB CN(Cc1ccccc1)C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 72329708 BEOCIPWPYAWDFS-UHFFFAOYSA-N 447.451 2.450 0 40 IEAB CC(C)[C@@H](NC(=O)CN1CCN(c2nccn2C)CC1)c1ccc2c(c1)OCCCO2 89801731 MEXULSRPIBCDQX-JOCHJYFZSA-N 427.549 2.217 0 40 IEAB COc1ccc(S(=O)(=O)N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)cc1 96226086 FJFTYBGBYZLSNR-NRFANRHFSA-N 447.488 2.060 0 40 IEAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@](O)(c4ccccc4)C4CC4)cc1c32 101329266 SMNVDSOEOJBOJG-BZQUYTCOSA-N 433.508 2.435 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1cc(C)cc(C)c1 108894883 VDRRFVZNKOLLRP-UHFFFAOYSA-N 448.541 2.142 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2C)cc1 224308771 GQDJDMSWZDDAOS-UHFFFAOYSA-N 429.542 2.466 0 40 IEAB COc1cccc(OCC(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224340544 NXNQHVXCXCMSEU-UHFFFAOYSA-N 434.514 2.054 0 40 IEAB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224846227 FXCZTWQGGOBCHN-UHFFFAOYSA-N 437.470 2.477 0 40 IEAB COc1ccc(C=c2sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)c(OC)c1 254705171 AEMZMNZKLUBYQP-UHFFFAOYSA-N 425.466 2.400 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)cc1OC 408554908 VMQIEPOCBSMOCL-GOSISDBHSA-N 432.542 2.463 0 40 IEAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)NC1=S 409217458 VNLNHEJLJHBOKC-YBEGLDIGSA-N 426.450 2.194 0 40 IEAB COCCN(CCOC)C1CCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1 511374907 BDYPJJMQEFQDGF-UHFFFAOYSA-N 431.643 2.337 0 40 IEAB O=C(NCCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1cc(-c2ccc3c(c2)CCO3)[nH]n1 524730539 MNRNZJXHHZWLCM-APWZRJJASA-N 445.523 2.022 0 40 IEAB biogenic COC(=O)c1cccc([C@H](C(=O)OC)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 553977975 VQTDYJWDXRUFFW-NPPFBWRTSA-N 438.480 2.196 0 40 IEAB O=C(c1cccc(C(=O)N2CCOC[C@@H]2C(F)(F)F)c1)N1CCOC[C@H]1C(F)(F)F 606790451 WYJKFNRFFCIMPF-OKILXGFUSA-N 440.340 2.493 0 40 IEAB Cn1c(=O)nc(O)c2cc(C(=O)N[C@@H]3CCC[C@@H]4CN(Cc5ccccc5)C[C@H]43)cnc21 680269028 JNYOLWKUTUHVTG-NSISKUIASA-N 433.512 2.065 0 40 IEAB O=S(=O)(c1cccc2nsnc12)N1CCC(COc2ccc3nccn3n2)CC1 1888962975 VHZHOUMBMRBESE-UHFFFAOYSA-N 430.515 2.214 0 40 IEAB O=C(CN1CCN(c2nccc(-c3ccccn3)n2)CC1)N1CCN(c2ccccc2)CC1 2298110271 VBZWAOOURLPCMO-UHFFFAOYSA-N 443.555 2.009 0 40 IEAB COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C=C(C(=O)O)[C@H]2CO)cc(OC)c1O 1868290 XCPQBTNKYMMDJL-CXAGYDPISA-N 432.425 2.354 0 40 IEAB biogenic CCN(CC)CCNC(=O)c1ccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)cc1 8735243 UMWHCXIVABPHJU-UHFFFAOYSA-N 435.528 2.415 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)O 8790737 VIABPXCUXYVHTH-MFHIXDMVSA-N 447.557 2.155 0 40 IEAB biogenic O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 8901829 LCRBSHBZIBBKJF-UHFFFAOYSA-N 429.498 2.225 0 40 IEAB CC(C)(C)NC(=O)NC(=O)COC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 9403581 VPZOTELNMCSPLD-UHFFFAOYSA-N 439.468 2.384 0 40 IEAB COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1nc2ccccc2n1-c1ccccc1 9540570 KQHAPICARRYMCU-SFHVURJKSA-N 438.509 2.008 0 40 IEAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N1CCN(C(=O)c2ccco2)CC1 9582679 PLJMYXFYMGEQNI-UHFFFAOYSA-N 438.513 2.345 0 40 IEAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5OC)CC4)ncnc32)c1 9850699 QYMDUBWQRYOQDX-UHFFFAOYSA-N 445.483 2.190 0 40 IEAB COC(=O)c1sc(NC(=O)CSc2ncnc3c2cnn3C)c(C(=O)OC)c1C 11677875 PMIJZMPICVEXAW-UHFFFAOYSA-N 435.487 2.037 0 40 IEAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1 12229834 PXAKRGPFUQJIPW-UHFFFAOYSA-N 429.546 2.260 0 40 IEAB CC[S@](=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12807288 JZDQWHVKTNFCBU-GDLZYMKVSA-N 446.594 2.450 0 40 IEAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(=O)NCCc1ccccc1 13165290 MNFNEGHFFPIHCE-UHFFFAOYSA-N 444.539 2.210 0 40 IEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N2CC=C(c3ccccc3)CC2)C1=O 14198304 TUEUCYGPDYGKAE-XMMPIXPASA-N 433.464 2.498 0 40 IEAB CCOc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1S(=O)(=O)N1CCCC1 14238908 JDXXCRHGTNFXQO-UHFFFAOYSA-N 445.497 2.416 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1S(=O)(=O)N(C)C 14868086 RURDSAMOBCHOHZ-UHFFFAOYSA-N 444.531 2.154 0 40 IEAB COc1cccc([C@@H]2CN(C(=O)CN(C)Cc3nonc3C)C[C@H]2c2csnn2)c1 19559147 BDDFEVSWNNOIRG-DLBZAZTESA-N 428.518 2.080 0 40 IEAB CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)CCCN2C(=O)CNC2=O)n1 19690152 SHUKUFOWSBROIP-SFHVURJKSA-N 436.516 2.205 0 40 IEAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1Cl)C(=O)OC 20715951 XZFWKSYXCBREDM-MAUKXSAKSA-N 434.880 2.215 0 40 IEAB CCOc1cccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)c1 22388618 XBVHSXVOFKREJD-UHFFFAOYSA-N 435.521 2.339 0 40 IEAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 22916010 JKOALPRKSBZNEH-SIKLNZKXSA-N 441.597 2.085 0 40 IEAB COc1ccc(NC(=O)NC(=O)CN2CCN(CCOc3ccc(OC)cc3)CC2)cc1 23333530 DLLXMJBZYQOMFO-UHFFFAOYSA-N 442.516 2.049 0 40 IEAB Cc1sc2nc(CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)[nH]c(=O)c2c1C 24842140 UPYDNFBFMVCHSO-KRWDZBQOSA-N 440.525 2.086 0 40 IEAB O=S(=O)(Cc1ccccc1)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556223 ZSKMNKRQSCZGGG-UHFFFAOYSA-N 426.498 2.053 0 40 IEAB Cc1csc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)n1 32863458 NLSHLFNKXLQLRH-UHFFFAOYSA-N 443.510 2.352 0 40 IEAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32913853 USOFYTLMVKAZQK-RTWAWAEBSA-N 427.570 2.478 0 40 IEAB C[C@@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCC1)N(C1CC1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CCCCC1 35314557 LIOIFRWOLUNKAC-TZLNSBNCSA-N 441.572 2.197 0 40 IEAB CCn1ncc(NC(=O)[C@H]2CC(c3c(F)cccc3Cl)=NO2)c1C(=O)N1CCOCC1 36615410 PUVHWUBTDFYZLO-MRXNPFEDSA-N 449.870 2.300 0 40 IEAB COc1ccc(OC)c2c1CN(CC(=O)N1CCN(Cc3ccccc3C)CC1)C[C@H]2O 40012131 CCKKQXWVHXZITQ-OAQYLSRUSA-N 439.556 2.206 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)c2sccc2-n2cnnn2)cc1OCC 40088176 QRDKOTWNEHLJHJ-UHFFFAOYSA-N 430.490 2.232 0 40 IEAB CC(C)CN(C(=O)Cn1nc(-c2ccccc2Cl)ccc1=O)[C@H]1CCS(=O)(=O)C1 44901692 OIMUWKQEBWILDL-HNNXBMFYSA-N 437.949 2.235 0 40 IEAB Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc5c(c4)OCO5)CC3)nn2)cc1 49405949 AMHODNIILWQUSZ-UHFFFAOYSA-N 433.468 2.339 0 40 IEAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN(C)S(=O)(=O)c2ccccc2)cc1C 65567326 BTGADPBLWFODKO-LJQANCHMSA-N 447.582 2.464 0 40 IEAB O=C(Cn1nnn(-c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)c1=O)NC1CC1 77100221 XLFPSZYHPWFTSV-UHFFFAOYSA-N 447.282 2.267 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](c2nn(C)c(=O)n2-c2ccccc2)C1 77100623 IWVNHBUDFXPOBE-QGZVFWFLSA-N 442.541 2.456 0 40 IEAB Cn1nc(Br)c2c(NC(=O)COc3ccc4ccc(=O)oc4c3)ncnc21 79104445 ZASBCVBDYAVJEE-UHFFFAOYSA-N 430.218 2.250 0 40 IEAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 96104208 PPYFPXYZJPELGC-UHFFFAOYSA-N 447.742 2.310 0 40 IEAB O=C(Cc1ccsc1)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 97137204 WCJMSUMFPHVDPY-IBGZPJMESA-N 437.525 2.138 0 40 IEAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCCN1CCOCC1 219476499 ROZHIMJMUPNMQT-UHFFFAOYSA-N 443.569 2.263 0 40 IEAB O=C(NCCSc1ncn[nH]1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 222560613 IMNBRZSIZKRRII-UHFFFAOYSA-N 445.570 2.267 0 40 IEAB CC(C)Sc1nnc(NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)s1 223077325 BQMGHGBCWZJJQY-UHFFFAOYSA-N 433.556 2.429 0 40 IEAB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223137631 FLOSKVRQKIHUKZ-YADHBBJMSA-N 443.617 2.451 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1C(=O)N1CCCCC1 225253411 RPZUSLFSKFUVEX-INIZCTEOSA-N 446.525 2.440 0 40 IEAB CN(Cc1cccnc1)Cc1nc(C2(O)CCN(C(=O)C3CCOCC3)CC2)cs1 225427061 AQGYWKMIIRGQQU-UHFFFAOYSA-N 430.574 2.407 0 40 IEAB biogenic,in-vitro O=C(NC1CCCC1)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCC2)N(C2CCCC2)C(=O)[C@H]13 245229530 AJUGEODEELKVEN-VWUIQGKGSA-N 441.572 2.197 0 40 IEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 409196585 PYDVOUWHKPFRNB-UHFFFAOYSA-N 445.585 2.344 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 799998 GQRVETPNONZWQN-GOSISDBHSA-N 432.542 2.463 0 40 IEAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 8723428 PZBYOSQEXBNBMQ-UHFFFAOYSA-N 426.502 2.153 0 40 IEAB CCOC(=O)CNC(=O)CSc1nnc(Cc2cccn2C)n1CCc1ccccc1 9412917 REYWVXCYLHXXOO-UHFFFAOYSA-N 441.557 2.222 0 40 IEAB O=C(O)Cn1c(=O)c2c3c(sc2n(CC(=O)Nc2cccc(Cl)c2)c1=O)CCCC3 9435783 QGFHSTREJCBHBK-UHFFFAOYSA-N 447.900 2.480 0 40 IEAB COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1 9465090 CZXWEKRTGAVHJO-UHFFFAOYSA-N 442.497 2.359 0 40 IEAB Cn1nc(CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2ccccc2c1=O 10216994 LIHUOZLNJFVQEO-UHFFFAOYSA-N 448.479 2.082 0 40 IEAB Cn1cc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 11666199 NKBOPFQIAORCRY-UHFFFAOYSA-N 447.520 2.336 0 40 IEAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)C3)cc2n1 12134571 CGSHCRYBCISNGG-INIZCTEOSA-N 442.541 2.350 0 40 IEAB CCOc1ccc(N2C[C@@H](C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)CC2=O)cc1 12184067 KWXDAWVOFIUTHR-KRWDZBQOSA-N 446.507 2.233 0 40 IEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 12641987 GQNWDAACODMQNG-UHFFFAOYSA-N 447.532 2.389 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)cc1C 12699967 AJFLFLBLKIDIKE-UHFFFAOYSA-N 442.585 2.448 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCc4ccccc43)c2)CC1 12911276 ZBUWNXYBKMRRBP-JOCHJYFZSA-N 441.553 2.299 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 13119428 UCPZXCUMANALPP-NSHDSACASA-N 426.878 2.061 0 40 IEAB CCCn1c(=O)n(CC(=O)NCc2ccco2)c(=O)c2c3c(sc21)COC(C)(C)C3 13608142 VYGQQEABYGRFFX-UHFFFAOYSA-N 431.514 2.395 0 40 IEAB COC(=O)Cn1c(=O)c2c3c(sc2n(Cc2ccccc2F)c1=O)COC(C)(C)C3 13609025 IIISXRGRYGKOSR-UHFFFAOYSA-N 432.473 2.436 0 40 IEAB CCn1nc(C)c(CNC(=O)C(=O)Nc2ccccc2C(=O)NCc2ccccn2)c1C 13690698 OGPIYUHNRLQFJR-UHFFFAOYSA-N 434.500 2.100 0 40 IEAB COc1cc(C(=O)N[C@H](C)C(=O)NCc2cnn(-c3ccccc3)c2)cc(OC)c1OC 14234875 SOJVEBLFNSKXKS-OAHLLOKOSA-N 438.484 2.333 0 40 IEAB COCCOc1ccc(C(=O)N[C@@H]2CN(C(=O)NCc3ccccc3)CCC[C@H]2O)cc1 15672182 LBVZOBCGFLICQF-FGZHOGPDSA-N 441.528 2.177 0 40 IEAB biogenic,in-vitro CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccc(C(N)=O)cc2)ccc1Br 16114505 UQWBZYDWKVBHHM-UHFFFAOYSA-N 441.303 2.155 0 40 IEAB O=C(OCc1cc(=O)n2ccccc2n1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 18407746 PCMJINKZMMNIHL-UHFFFAOYSA-N 440.415 2.044 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cc(C(C)C)n[nH]3)CC1)C2=O 19700679 KYCCCDNCCUGVBJ-UHFFFAOYSA-N 444.580 2.182 0 40 IEAB COc1cccc(N(CC(=O)NCc2ccc(-n3ccnc3C)cc2)S(C)(=O)=O)c1 20492654 QZKZZDYPMJDGSY-UHFFFAOYSA-N 428.514 2.272 0 40 IEAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2c1 20739153 NCRXWCVQYNECLD-QFIPXVFZSA-N 428.533 2.322 0 40 IEAB CCc1nn2c(=O)cc(COC(=O)COc3ccc4c(C)cc(=O)oc4c3)nc2s1 21601756 PYXVPTAMLQVOGD-UHFFFAOYSA-N 427.438 2.250 0 40 IEAB NC(=O)CCc1nnc(SCCCn2c(=O)[nH]c3ccccc32)n1Cc1ccco1 32895043 XTHNCDHDRUFVDM-UHFFFAOYSA-N 426.502 2.163 0 40 IEAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C 32946713 UKLZNICHSMXXBC-CQSZACIVSA-N 432.571 2.450 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@@H](C)C(=O)OC)cc3)C2=O)o1 33659137 JDVLTKTYKHJUFK-KPENOIPVSA-N 428.397 2.099 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1cccc(CN3CCCC3)c1)O2 38831854 RQNMSCFTJUWQPU-QFIPXVFZSA-N 443.569 2.434 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1nc(N2CCCCC2)ncc1Cl 48272444 DLQRYIWXJPZHAF-UHFFFAOYSA-N 437.953 2.301 0 40 IEAB COc1ccc(OC)c(CN(C(=O)CN2C(=O)c3ccccc3C2=O)c2cnn(C)c2)c1 48312619 DHAVYAFBJABGMU-UHFFFAOYSA-N 434.452 2.267 0 40 IEAB CCCS(=O)(=O)NC1CCN(CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 59000935 INRAKUZYRRSHNO-UHFFFAOYSA-N 442.626 2.265 0 40 IEAB O=C(CN1N=C(c2nc(-c3ccccc3)no2)CCC1=O)N1CCN(c2ccccc2)CC1 72329659 GLAUHWLPJBCAAT-UHFFFAOYSA-N 444.495 2.412 0 40 IEAB Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)CCOc3ccc(F)cc3)CC2)cc1 84160377 QCCNRYZNOYWNCE-UHFFFAOYSA-N 449.548 2.026 0 40 IEAB COCCCS(=O)(=O)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 89410371 CMVVEKXNLSEYFY-UHFFFAOYSA-N 436.555 2.432 0 40 IEAB COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCS(=O)(=O)c1ccccc1 206798259 ORFNAFZXWNTYBI-MAUKXSAKSA-N 435.473 2.211 0 40 IEAB COc1cc(CNC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc(OC)c1OC 220317071 TUHYIBUQRBWZHZ-ZDUSSCGKSA-N 440.493 2.322 0 40 IEAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CC3)cc2C)cc1OC 223052117 BZXPUUAPPWGRLK-UHFFFAOYSA-N 448.541 2.191 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN1CCC(C)CC1 223712295 GCOZIDQKMAVFQX-UHFFFAOYSA-N 425.595 2.116 0 40 IEAB CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 223782933 DSEYAXATCMUOID-UHFFFAOYSA-N 447.513 2.100 0 40 IEAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC)S(C)(=O)=O 225192713 IQHMBLUQASYNQF-KRWDZBQOSA-N 431.558 2.178 0 40 IEAB S=C(NCCN1CCOCC1)Nc1nc(N2CCCCCC2)cc(N2CCCCC2)n1 225903608 CUXAXCAMTHKVCX-UHFFFAOYSA-N 447.653 2.466 0 40 IEAB COc1cc(N2CCN(c3ccccc3)CC2)nc(NC(=S)NC[C@@H]2CCCO2)n1 225906417 ZTPADHRQKFLSJW-KRWDZBQOSA-N 428.562 2.277 0 40 IEAB COc1ccccc1-c1nc2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2n1 254871086 ODTMNQMISAWJEE-UHFFFAOYSA-N 425.466 2.400 0 40 IEAB CCOc1cc(/C=c2\sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(C)cc1 256055740 RKLJSZDADPCKQD-ODLFYWEKSA-N 436.493 2.423 0 40 IEAB CC(=O)N1CCN(C(=O)c2cccc(OCCN3CCOCC3)c2)C[C@@H]1c1ccccc1 257231557 GHGCKNIVDURWOK-XMMPIXPASA-N 437.540 2.443 0 40 IEAB CCn1cc(NC(=O)CN2CC[C@@H]3[C@@H](c4ccccc4)N(C)C[C@]3(NC(C)=O)C2)c(C)n1 257309866 UCSKJKBBUFXVNG-HUVFLSCGSA-N 438.576 2.033 0 40 IEAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3ccsc3)C[C@@H]2N1Cc1ccccn1 306130740 JOHGAYLQFUWRTM-ROUUACIJSA-N 428.539 2.374 0 40 IEAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 523957982 JYEYOGBDLWYHTE-UHFFFAOYSA-N 443.569 2.002 0 40 IEAB Cc1cc(=O)n(C2CCCC2)c2nc(N3CCC[C@H](C(=O)N4CCOCC4)C3)ncc12 1889149084 XDFJKBHZTNQZSL-KRWDZBQOSA-N 425.533 2.290 0 40 IEAB Cc1ncc2c(c1O)[C@@H](c1c(O)[nH]c(=O)n(-c3ccc(Br)cc3)c1=O)OC2 2129398 JMINIUYXKVATBH-HNNXBMFYSA-N 432.230 2.023 0 40 IEAB CCCN(C(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 3431036 LSURAJUWVMPMTD-PEKVBPLLSA-N 442.603 2.156 0 40 IEAB CCOC(=O)/C=C1\SCC(=O)N1CCn1nnc(-c2cccc(C(F)(F)F)c2)n1 9377394 SCRVHZCTUITQSV-ZROIWOOFSA-N 427.408 2.339 0 40 IEAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccccc2)N2N=CC=C[C@H]32)cc1 9457842 GKAUUFPAKAUPSF-NCYKPQTJSA-N 428.448 2.242 0 40 IEAB O=C(COC(=O)CNS(=O)(=O)c1ccc(F)c(F)c1F)Nc1ccccc1Cl 9633829 DCWDLBVPYCETJA-UHFFFAOYSA-N 436.795 2.218 0 40 IEAB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 9864968 LOKWPLAYYUAUKM-VGOFRKELSA-N 425.510 2.148 0 40 IEAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 10054766 NLDGAWTULDGQHD-WOWRSWPSSA-N 429.473 2.260 0 40 IEAB Cc1nc(C)c(C(=O)N2C[C@@H](C(=O)NC(C)(C)C)[C@@]3(Cc4ccccc4C(=O)N3)C2)s1 12126829 CGTINOCJMRPKQX-GAJHUEQPSA-N 440.569 2.472 0 40 IEAB CC(C)N1C[C@H](C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)CC1=O 12220175 XOGZHGSJWWUNFK-GOEBONIOSA-N 426.492 2.436 0 40 IEAB Cn1c(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc2ccccc21 12548163 PKJOTRAPWOPKLP-UHFFFAOYSA-N 437.525 2.051 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 12681818 PBHSTRRRUYIUIN-KRWDZBQOSA-N 449.554 2.012 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1C 14171612 WDNKYKUQKJKDGG-UHFFFAOYSA-N 429.473 2.289 0 40 IEAB COCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCN(Cc1ccccc1)CC3 19565199 URUMXBUSADEFFT-UHFFFAOYSA-N 426.542 2.201 0 40 IEAB CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCC(NC(=O)C4CCCC4)CC3)ccc21 19572462 XWHVIFMWTISNDS-QFIPXVFZSA-N 449.617 2.203 0 40 IEAB Cc1cc(C)n(CCNC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)n1 19574228 XHCBNCBGHHZRJL-UUOWRZLLSA-N 438.528 2.421 0 40 IEAB CCNC(=O)COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 23136010 VGFNLAQFTUZKNJ-UHFFFAOYSA-N 445.541 2.241 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1cccs1)N1CCOCC1 23744966 MEIUYWSZQUWDQB-LEWJYISDSA-N 440.569 2.466 0 40 IEAB O=C(Nc1cccc(C(F)(F)F)c1)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 24601665 ZWFUPKGJIDXKNI-QGZVFWFLSA-N 449.495 2.449 0 40 IEAB Cc1sc2ncn(CCC(=O)Nc3ccc([C@]4(C)NC(=O)NC4=O)cc3)c(=O)c2c1C 36753009 PGTXBCALGMWBQB-NRFANRHFSA-N 439.497 2.158 0 40 IEAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 48366565 WXPMXFUPYZMOPE-IEBWSBKVSA-N 434.479 2.353 0 40 IEAB Cc1ccc(F)cc1NC(=O)c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)c1C 71327465 GVTCHOPFVUDTJZ-UHFFFAOYSA-N 425.420 2.331 0 40 IEAB COc1ncc(C2(O)CCN(C(=O)C[C@@H](C)n3nc(C)c(Cl)c3C)CC2)c(OC)n1 72337548 HWMLVLPWMDFTBL-GFCCVEGCSA-N 437.928 2.422 0 40 IEAB C[C@H]1CCc2onc(C(=O)N3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c2C1 72338841 XKCHOYPFAVTTPZ-RNODOKPDSA-N 430.530 2.382 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)cc1 77200943 HYEAZZFZJAUOOL-UHFFFAOYSA-N 430.404 2.495 0 40 IEAB Cc1cc(C)n(CC2CCN(S(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)CC2)n1 89651166 LFYMUJXAPILVFO-UHFFFAOYSA-N 425.576 2.313 0 40 IEAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 100234239 CIFNHTFCARQDLZ-AKCHCHLHSA-N 425.533 2.292 0 40 IEAB COC(=O)c1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1 102465972 DSCRGLKHJUVCJK-LICLKQGHSA-N 439.880 2.090 0 40 IEAB NC(=O)c1ccccc1NC(=O)CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 113480505 XVNSOJGJCQQXSV-ZIAGYGMSSA-N 442.566 2.023 0 40 IEAB COC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)ccc1Cl 223000369 IXLARANENDASPM-UHFFFAOYSA-N 426.878 2.394 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 223518805 OYSJXBJSLPIHRD-QGZVFWFLSA-N 447.557 2.015 0 40 IEAB Cc1ccc(C(=O)NCCCN2CCOCC2)cc1N(C)S(=O)(=O)c1ccccc1 224301002 DGSCUUUGZJEALN-UHFFFAOYSA-N 431.558 2.272 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CC(n3cc(COc4ccccc4)nn3)C2)c1 225629490 MKRQFIVMRNSAAH-UHFFFAOYSA-N 430.486 2.120 0 40 IEAB COc1cccc(CCN2CC(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)c1 230110282 SQIOGQBSNAYZOK-WOJBJXKFSA-N 434.945 2.406 0 40 IEAB O[C@H]1CCN(CC2(O)CCN(c3ccccc3F)CC2)C[C@]1(O)COc1ccc(F)cc1 585281858 CVSFTGMGHJVVLK-UPVQGACJSA-N 448.510 2.173 0 40 IEAB CCN1C(=O)[C@H]2CN(C(=O)c3csc(-c4cnn(-c5ccccc5)c4)n3)CCN2C1=O 674456598 QONZASPKIDLDES-QGZVFWFLSA-N 436.497 2.104 0 40 IEAB Cc1cc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)nc(N2CCCC2)n1 1889186305 QALAYTIBCDUMID-UHFFFAOYSA-N 433.442 2.168 0 40 IEAB COc1ccc(C(=O)N2CCCCc3ccccc3OC[C@@H](O)[C@@H](O)[C@@H](OC)C2)cc1 2037971362 WLCCBAGVIRQVCX-AKIFATBCSA-N 429.513 2.290 0 40 IEAB CC(C)NC(=O)N[C@@H]1C[C@H](C(=O)NCc2ccccc2)[C@@H](O)[C@H]1c1cnc(C(C)C)[nH]1 2332241930 LIVVWAWUHAFBGG-ONCXSQPRSA-N 427.549 2.390 0 40 IEAB CCc1ccc(OC[C@H](O)Cn2c(SCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 2350969 PNFUDYXNHFKJJP-OAHLLOKOSA-N 432.546 2.174 0 40 IEAB CS(=O)(=O)Nc1cccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)c1 2686345 FMQNSKIFSUTJII-QGZVFWFLSA-N 439.287 2.233 0 40 IEAB NS(=O)(=O)c1cc(C(=O)OCC(=O)NCCc2ccccc2)c(Cl)cc1Cl 3346807 ROEYDPRQWYPZKA-UHFFFAOYSA-N 431.297 2.157 0 40 IEAB O=C(CSc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 3452900 SHSDGPVCQMZGSZ-UHFFFAOYSA-N 434.539 2.083 0 40 IEAB COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(Cl)c(Cl)c1 8747933 SAFRXGSQYOMVOT-CQSZACIVSA-N 442.251 2.323 0 40 IEAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2ccncc2)CC1 12133365 VASBKCDIDNOIKI-UHFFFAOYSA-N 429.546 2.285 0 40 IEAB COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)NC1CC1 12567191 WYNNASWIQVRERM-QGZVFWFLSA-N 433.530 2.296 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccccc2Br)CC1)N1CCCCCC1 15357329 YUIKRCBTGMROCG-UHFFFAOYSA-N 444.395 2.158 0 40 IEAB COc1ccc(C2=NO[C@@H]3[C@H]4O[C@@H]([C@H]23)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]42)c(OC)c1 16011715 MZTJORHDZYNNJI-WTNOFXFJSA-N 434.448 2.318 0 40 IEAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCCNC(=O)c1ccc(F)cc1)CC2 16849434 YWPYVKVLRUDZMX-UHFFFAOYSA-N 436.505 2.351 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N4C[C@H](C)C[C@@H](C)C4)CC3)c(=O)c2c1C 19561414 HUWRGZZDAIKLPP-HZPDHXFCSA-N 446.617 2.406 0 40 IEAB COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)c4cccs4)C3)cc(=O)[nH]2)CC1 19592755 KKRGQGUSHOLDBO-INIZCTEOSA-N 444.557 2.204 0 40 IEAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)nc2c1CCCN2C 19707017 PZDZSAFCTFAQAU-AWEZNQCLSA-N 443.529 2.170 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)NCCCn1ccnc1 22249023 BGDAUJNTJZXSJA-UHFFFAOYSA-N 428.942 2.152 0 40 IEAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NCc1ccc2c(c1)OCO2 22252943 PQUVJEHVLRVTSI-UHFFFAOYSA-N 436.486 2.148 0 40 IEAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)N1CCN(CC(=O)NC2CC2)CC1 23929972 NHQUXFNIOQSDME-MDZDMXLPSA-N 425.508 2.064 0 40 IEAB O=C(/C=C/c1ccc(Br)o1)N1CCN(c2nnnn2-c2ccccc2)CC1 24781755 KBIWGXOFILESQP-VQHVLOKHSA-N 429.278 2.380 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NCCN2CCOCC2)ccc1Cl 25515359 ZNWQPEGHKBGBCN-UHFFFAOYSA-N 437.949 2.227 0 40 IEAB O=C(COc1cccc(NC(=O)c2ccco2)c1)NC[C@@]1(N2CCOCC2)CCSC1 31935685 XUJITBSRWHIXPL-QFIPXVFZSA-N 445.541 2.235 0 40 IEAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 32898803 NXBDEOIQADLFEE-SFHVURJKSA-N 437.562 2.309 0 40 IEAB C[C@@H](c1ccccc1)N(C)C(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1 32908775 WYUXEOZJYTVFFW-RDJZCZTQSA-N 431.562 2.187 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 38854284 QIPCEQMMNCJHLP-KRWDZBQOSA-N 444.937 2.059 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 57414820 OKVPVRHITWRRQJ-JOCHJYFZSA-N 436.512 2.298 0 40 IEAB COCc1nnc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1 61720882 UQFUFHRYJWCGIJ-LBPRGKRZSA-N 438.941 2.197 0 40 IEAB CN(CC(=O)N1CCOc2ccccc21)S(=O)(=O)c1ccc(Br)cc1 72008480 ISNBGVGKXQZOGX-UHFFFAOYSA-N 425.304 2.495 0 40 IEAB COC[C@@H](O)CN1CCC(NC(=O)CSc2nccn2-c2ccc(C)c(C)c2)CC1 95445009 WXGWDSHPHQFXMU-FQEVSTJZSA-N 432.590 2.169 0 40 IEAB CC(C)(C)C(=O)NCCC(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 98004323 VBLAEZFAUPYUEU-LFIBNONCSA-N 447.513 2.120 0 40 IEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 101011128 YDSJLYPYRCQVCT-HUUCEWRRSA-N 439.468 2.019 0 40 IEAB O=C1CCCN1Cc1ccc(CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 223852757 QJTDXSMRDUDVIC-UHFFFAOYSA-N 427.526 2.414 0 40 IEAB CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cncs3)CC[C@@H]2Oc2ccc(F)cc2)CC1 257223875 DZIBUXMEQJMWGN-LPHOPBHVSA-N 446.548 2.356 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N(C)C(=O)Cc2c(C)n[nH]c2C)CC1 257338110 YVWJEPWNKZIJNP-WPFOTENUSA-N 426.561 2.405 0 40 IEAB C[C@H](NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 260943027 SUJICOAHJXWCNN-KBPBESRZSA-N 442.534 2.261 0 40 IEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCNC(=O)c1cc2ccccc2[nH]1 524731458 YUTCYJFXGDZWPN-GANZUKCXSA-N 432.480 2.124 0 40 IEAB biogenic CCOc1cc2c(cc1NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)O[C@H](C)C2 1136514862 WAIGESWITOFXIY-UONOGXRCSA-N 434.514 2.320 0 40 IEAB COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2cc(-c3nc[nH]n3)ccc2F)C1=O 1530907275 LZZRPCNGTXENSB-NRFANRHFSA-N 438.419 2.025 0 40 IEAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C2)n1 1888970044 FBHWTLOBAUFKDS-KRWDZBQOSA-N 444.491 2.355 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccco3)cc2)nn1 3158338 OHEXHBKAQYKZAM-UHFFFAOYSA-N 433.471 2.006 0 40 IEAB CCN(CC(=O)NCc1cccs1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 3428247 IPZOLCFWEFYUGJ-UHFFFAOYSA-N 443.978 2.187 0 40 IEAB CCCCc1nnc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 3437333 MNPPINTVCLLBLK-UHFFFAOYSA-N 438.575 2.473 0 40 IEAB CCN(CC)CCCNC(=S)N(CCCO)Cc1cc2ccc(OC)cc2[nH]c1=O 6193069 RYENNUQNAARUBH-UHFFFAOYSA-N 434.606 2.328 0 40 IEAB Cn1c(=O)c2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cnc2n(C)c1=O 9338395 ZXZUXOUALASQOT-UHFFFAOYSA-N 428.514 2.481 0 40 IEAB COCCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1ccncc1 10612233 SEMQHQSMNRLXPM-UHFFFAOYSA-N 427.486 2.124 0 40 IEAB CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2C(F)(F)F)s1 10678491 HRVGORCMNBNIRF-UHFFFAOYSA-N 428.479 2.496 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2c3c(c(=O)n(C4CCCCC4)c2=O)CCC3)cc1 11695869 IJTMRGHXBOLKMX-UHFFFAOYSA-N 425.485 2.429 0 40 IEAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCn1cnc2c(cnn2C)c1=O 12484951 FQPGYCQTYBEJGY-UHFFFAOYSA-N 439.394 2.203 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOc3ccccc3)CC2)cc1OC 12849623 XZVSLXNLCQPVNB-UHFFFAOYSA-N 448.541 2.300 0 40 IEAB CCOCCCNc1nnc(SCC2=C(C(=O)OCC)[C@@H](CC)NC(=O)N2)s1 13010688 QGJAIJZKIXLQLH-LLVKDONJSA-N 429.568 2.377 0 40 IEAB Cc1ccc(CCC2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc1 13020249 IJAKITCBQLJRFO-NHCUHLMSSA-N 432.586 2.202 0 40 IEAB O=C(Nc1ccn([C@H]2C[C@H](OC(=O)c3ccccc3)[C@@H](CO)O2)c(=O)n1)c1ccccc1 13147239 FRCSORXRCWKCJL-NLWGTHIKSA-N 435.436 2.001 0 40 IEAB COC(CNC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21)OC 13571511 KCQLAAMJOGIIJG-QGZVFWFLSA-N 426.473 2.151 0 40 IEAB C[C@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cc1 14161523 FJGDFPLYYCISQK-HNAYVOBHSA-N 445.541 2.120 0 40 IEAB Cc1ccc(-c2nnn(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)n2)cc1 15128487 SZEDRJLXEIQTID-UHFFFAOYSA-N 440.529 2.462 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1Cl 18762325 GKLVSLRBBCADBO-LLVKDONJSA-N 447.872 2.323 0 40 IEAB O=C(c1ccccc1F)N1CCc2c(nc([C@@H]3CCN(Cc4ccccn4)C3)[nH]c2=O)C1 19347691 YNHKFVKFUIEBJX-MRXNPFEDSA-N 433.487 2.492 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O 19699924 VAOUPWMBNGVVAU-GOSISDBHSA-N 430.524 2.156 0 40 IEAB Cc1cnc(C(=O)N2CC[C@@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)cn1 19701995 GESYCPROFMKZNW-OAHLLOKOSA-N 437.525 2.497 0 40 IEAB Cc1cccc(C)c1OC[C@H](O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCO3)C1=O 24097251 ZSXPVDMNDKOLRS-HXOBKFHXSA-N 426.469 2.282 0 40 IEAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1S(=O)(=O)N1CCOCC1 24652565 NGDJWLNWOKQLFI-UHFFFAOYSA-N 426.397 2.281 0 40 IEAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCc1nnc(-c2ccc(F)cc2)o1 24980670 PYFRZGVVIJPNHT-UHFFFAOYSA-N 444.444 2.438 0 40 IEAB C[C@H]1CN(CCNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)C[C@@H](C)O1 26367725 JNJQILYXCZLRAT-IYBDPMFKSA-N 442.541 2.087 0 40 IEAB O=C(CC1CCCC1)N1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1 31196476 OJZAZDDVVJUGAR-UHFFFAOYSA-N 438.528 2.187 0 40 IEAB COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3c(C)nn(C(F)F)c3C)CC2)cc1 36614797 UVTVMWSDYFQZCK-UHFFFAOYSA-N 442.488 2.188 0 40 IEAB CC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2csc(C3CCCCC3)n2)CC1 40106432 VXHRPZPTFVHHPE-CQSZACIVSA-N 427.592 2.185 0 40 IEAB C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc2[nH]c(=O)[nH]c2c1 40119729 JLVXMLQKWZVNJF-AWEZNQCLSA-N 442.541 2.281 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1N1CCCC1=O 44901876 OBCXTHWCEIRLAL-UHFFFAOYSA-N 433.505 2.472 0 40 IEAB COc1ccc(CCNC(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)cc1OC 44922071 AAKFOWGDQBBZHV-UHFFFAOYSA-N 441.459 2.434 0 40 IEAB CC(=O)c1ccc2c(c1)N([C@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CO2 73658912 KVDIHXSWFATDPM-CQSZACIVSA-N 431.489 2.082 0 40 IEAB O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N2CCN(c3ccccn3)CC2)C1 78805957 IVVCIEVCRYYIRN-FQEVSTJZSA-N 444.557 2.335 0 40 IEAB COc1ccc([C@H](CNc2c(N3CCN(c4ccccc4)CC3)c(=O)c2=O)N(C)C)cc1 101698964 OMKJXSCXIUUEKP-NRFANRHFSA-N 434.540 2.333 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCc2nc(-c3ccccc3Cl)no2)Oc2ccccc21 219270641 IEZVXUPVJFHUBR-MRXNPFEDSA-N 448.888 2.233 0 40 IEAB COc1cc(CNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc(OC)c1OC 219723868 XVBIZTNRQAUSQT-UHFFFAOYSA-N 436.530 2.430 0 40 IEAB C[C@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223880650 NPNBJBWYQYESCM-UONOGXRCSA-N 442.534 2.261 0 40 IEAB C[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccc(F)cc1)S(C)(=O)=O 224724755 FGKUPFRDJDAYQJ-KRWDZBQOSA-N 449.548 2.129 0 40 IEAB CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3F)CCN21 253399235 IOUNGDADFGZNHQ-KRWDZBQOSA-N 431.533 2.435 0 40 IEAB biogenic,in-vitro CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nc(O)c4c(n3)CN(C(=O)C3CCC3)CC4)C2)CC1 257256892 KNHXWVRDFRAMDA-BZSNNMDCSA-N 442.560 2.388 0 40 IEAB CCc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 260574327 UAPXKPUMALPUKC-QGZVFWFLSA-N 431.558 2.178 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1cccnc1)c1ccccc1 408619165 MSNXSZGVQVFONC-UHFFFAOYSA-N 438.509 2.416 0 40 IEAB COc1cccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OC)cc3OC)CC2=O)c1 408645834 MODWQICPABDKRK-CQSZACIVSA-N 428.441 2.247 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1 408657263 ORBIGGJAGJCBOS-AWEZNQCLSA-N 445.859 2.024 0 40 IEAB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)Nc1ccc(F)cc1 408664340 ZJRHRTXXHVMSQE-LBPRGKRZSA-N 433.823 2.154 0 40 IEAB O=C(C(=O)N1CCO[C@@]2(CCc3ccccc32)C1)N1CCO[C@@]2(CCc3ccccc32)C1 513498566 ARJTVGGTWYLNRJ-UIOOFZCWSA-N 432.520 2.387 0 40 IEAB COC(=O)[C@@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O)Cc1cccc(C)c1 609310553 FIWGZTIFYMMOKW-NQIIRXRSSA-N 436.512 2.204 0 40 IEAB C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCOc2ccc(Br)cc2C1 1155545341 MCGAAUYNEGTMMU-PXAZEXFGSA-N 425.323 2.226 0 40 IEAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)c3ccccc3S(C)(=O)=O)C2)n1 1888962027 SPSQIUMHKLKALO-UHFFFAOYSA-N 439.493 2.020 0 40 IEAB Cn1cccc1C(=O)N[C@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@@H]2C1 3840450 FDRBJVCVJWGUOO-LRDDRELGSA-N 431.290 2.143 0 40 IEAB biogenic,in-vitro CCOCCn1c(=O)c2c(nc3n(-c4ccc(OC)c(Cl)c4)c(C)cn23)n(C)c1=O 6089660 XUJXPHIGTLINHO-UHFFFAOYSA-N 431.880 2.146 0 40 IEAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 8988169 IQHWMXYTSJUJCK-UHFFFAOYSA-N 431.905 2.067 0 40 IEAB COc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4nccs4)n3N)n[nH]2)cc1 9320672 NUMZAGYLSUXFHZ-UHFFFAOYSA-N 428.503 2.245 0 40 IEAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)N1CCN(c2ccccn2)CC1 9466307 RPGLARFNWXIMEW-QGZVFWFLSA-N 439.497 2.418 0 40 IEAB COCCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c1C 9632032 POZQEXZMELCSBA-QHCPKHFHSA-N 441.484 2.172 0 40 IEAB O=C(COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC1CCCCC1 9884007 PEJSTXWLSNAZPE-UHFFFAOYSA-N 436.452 2.366 0 40 IEAB COc1ccc(S(=O)(=O)NCCNc2ccc(Nc3cccnc3)nn2)cc1OC 11796870 YPGFVZIBOXJMBH-UHFFFAOYSA-N 430.490 2.023 0 40 IEAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1-c1nccs1 12690251 HMDPTVAYSHGQSZ-HUUCEWRRSA-N 427.482 2.228 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)ccc21 12847232 SVTQMCWQNKEZCZ-GOSISDBHSA-N 427.526 2.500 0 40 IEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13017821 YODCJNHQJFSDMR-GOSISDBHSA-N 437.496 2.294 0 40 IEAB O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)NC(=O)NCc1ccco1 13102352 OJXQABHAASEYDJ-UHFFFAOYSA-N 445.497 2.177 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1C 17261731 IRRFRUCDSMSRJU-OAHLLOKOSA-N 434.514 2.354 0 40 IEAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)c2ccnn2C)C1 19289111 AJYVUIHNYDYZTF-DEOSSOPVSA-N 432.528 2.430 0 40 IEAB CN1C[C@@H](C(=O)N2CCC[C@H]2c2nc(O)c3c(n2)CN(CC2CCCCC2)CC3)CC1=O 19587275 WOVMGSVSPMTJJD-PXNSSMCTSA-N 441.576 2.262 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)CN3CCCC3)CCO2)c1 19692818 YGAXKMMIWDNHMF-FQEVSTJZSA-N 425.533 2.214 0 40 IEAB COCCN(C(=O)c1cccc([C@H]2CCc3nnc(C)n3C2)c1)C1CCN(C(C)=O)CC1 19698220 HPTAXGWJPNUTKU-NRFANRHFSA-N 439.560 2.416 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)C1 19741312 FRCZWFADCOWEAW-HXUWFJFHSA-N 449.555 2.149 0 40 IEAB COc1ccc(S(=O)(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCCN3C(C)=O)n2)cc1 19760095 RBEDPYJKTYERPG-IBGZPJMESA-N 447.561 2.055 0 40 IEAB CN(c1ccc(OCC(=O)NCCCn2ccnc2)cc1)S(=O)(=O)c1ccccc1 19937868 VIGOVTRCGSEDOV-UHFFFAOYSA-N 428.514 2.294 0 40 IEAB COC(=O)CSc1nc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccc(Cl)c(Cl)c1 20031488 LNZQTOKKOYWVLW-UHFFFAOYSA-N 443.312 2.054 0 40 IEAB COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCN(C)CC2)cc1 22794100 JNNUVMMHRVBGOG-FQEVSTJZSA-N 443.544 2.440 0 40 IEAB Cn1c(SCC(=O)c2ccc(CCNS(C)(=O)=O)s2)nc2ccsc2c1=O 26112631 JDHBASYWFNOXSA-UHFFFAOYSA-N 443.597 2.123 0 40 IEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OCCO)cc1Br 28924725 FUKILFUQRFCOAT-IBGZPJMESA-N 448.317 2.157 0 40 IEAB CS(=O)(=O)c1ccc(Nc2nc(C(=O)Nc3nc(CC(N)=O)cs3)cs2)cc1 36704684 YUYVQAZRGUDWSX-UHFFFAOYSA-N 437.528 2.027 0 40 IEAB COc1cc(NC(=O)C(=O)NCc2ccc(F)cc2)ccc1N1CCCCS1(=O)=O 40283188 NNDXVJAVJJXWEB-UHFFFAOYSA-N 435.477 2.019 0 40 IEAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)cc1 48332958 AARJIHLMWLXHSI-MRXNPFEDSA-N 446.507 2.468 0 40 IEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(Cc3ccsc3)CC2)s1 57293229 OWKGBTMCUFTKHP-UHFFFAOYSA-N 428.605 2.087 0 40 IEAB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccnc(F)c1 58102051 ZQQLFERQHWZCTP-UHFFFAOYSA-N 436.509 2.340 0 40 IEAB O=C(Nc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1)NC1CC1 59591463 IHINCRQUYHNTQN-UHFFFAOYSA-N 442.541 2.258 0 40 IEAB O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1CCCN1C(=O)Cc1cccs1 72273061 POCWRNPVFLVLPM-NRFANRHFSA-N 427.570 2.430 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 78878543 HHNCIHAVWPPZGG-JJRVBVJISA-N 443.541 2.302 0 40 IEAB CN(C)[C@@H](CNC(=O)[C@H]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)N(C)C)c1ccco1 89312176 HIEQUCNLCFMRND-QGFMHUBQSA-N 430.549 2.427 0 40 IEAB CCN1C[C@H]2C3(CCN(C(=O)c4cnc(C)cn4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1 96262460 WOZFQSJJCDUDOC-GBXCKJPGSA-N 425.577 2.362 0 40 IEAB C[C@@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 100118939 MECHLOOAVALOHP-ZKGWLNIXSA-N 440.297 2.390 0 40 IEAB CC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]12 103006217 VHFZKDXVPXFEJP-PLLBJWBMSA-N 432.480 2.004 0 40 IEAB COc1ccc(CCNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1OC 220082495 TYGAIYVMFBCHAR-UHFFFAOYSA-N 428.457 2.107 0 40 IEAB COc1ccc(CCNC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220230593 VQXZSSUXFKAWGV-HNNXBMFYSA-N 436.530 2.226 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCOc1ccccc1)c1ccccc1Br 223694047 CUOIFJKLXRDTOV-UHFFFAOYSA-N 427.320 2.410 0 40 IEAB CCOc1ccc(-c2noc(CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)n2)cc1 225426840 QFFNZZKPWFKRLD-UHFFFAOYSA-N 430.486 2.316 0 40 IEAB CN1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CN(Cc3nccs3)CCO2)CC1 257253290 JYHNULPNCQJFHG-JOCHJYFZSA-N 448.564 2.096 0 40 IEAB CN1C(=O)N[C@@H](c2cccc(CNC(=O)CCc3csc(N)n3)c2)[C@@H]2CCCO[C@@H]21 257302826 SEQLNZCWFKQUQB-WDSOQIARSA-N 429.546 2.423 0 40 IEAB COCCN1C[C@@]2(CCN(Cc3ccc(OC)cc3)C2)Oc2ccccc2S1(=O)=O 306129201 HXIJVHWFTOILPR-QFIPXVFZSA-N 432.542 2.369 0 40 IEAB Cc1cc(C)n(-c2cc(N3CC(C(=O)N4CCN(c5ccccc5F)CC4)C3)ncn2)n1 390826106 BURRFDSCAOSPJQ-UHFFFAOYSA-N 435.507 2.203 0 40 IEAB O=C1CN2CCN(C(=O)NC3CC3)C[C@@H]2COc2ccc(-c3cccnc3F)cc2N1 1772594558 LJSWCBHWPXFJOX-MRXNPFEDSA-N 425.464 2.077 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O 3329283 SWCQNKDUHQLGNR-UHFFFAOYSA-N 426.347 2.226 0 40 IEAB NCCSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1 3359366 RXYHZQNUTBIXSG-UHFFFAOYSA-N 437.591 2.132 0 40 IEAB O=C(N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1)OCc1ccccc1 5706761 BNRIKQJCFUGCTI-VQTJNVASSA-N 426.469 2.008 0 40 IEAB O=C(CN1CC=C(c2ccccc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 6587692 RMSMMMPURJASRT-UHFFFAOYSA-N 425.554 2.309 0 40 IEAB O=C([C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1)N1CCCC1 8746236 XJNXICWBWDFBAD-OAQYLSRUSA-N 430.526 2.450 0 40 IEAB O=C(c1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 8753972 LBKADXBOSLCEJZ-UHFFFAOYSA-N 438.509 2.372 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC(C)(C)C)Cc2cccs2)cc1 8772952 VTISDLCIERSHCA-UHFFFAOYSA-N 437.587 2.278 0 40 IEAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)N1CCNC1=O 8860759 WGWLOTVDELICDR-UHFFFAOYSA-N 437.481 2.366 0 40 IEAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N[C@@H]1CCS(=O)(=O)C1 8900669 MSYPGFDKTSCLAM-GFCCVEGCSA-N 431.543 2.157 0 40 IEAB CN(C[C@H]1COc2ccccc2O1)C(=O)Cn1cnc2ccc(Br)cc2c1=O 9512883 KEVDAYQSJYQLNH-AWEZNQCLSA-N 444.285 2.457 0 40 IEAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 9730237 WBJKEADAVCEGGJ-UHFFFAOYSA-N 427.438 2.305 0 40 IEAB COc1ccc(CC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4C)cnc32)cc1 12072163 ZGHACGDHWGHYSY-UHFFFAOYSA-N 431.496 2.317 0 40 IEAB CCOC(=O)C1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2CCCOC)CC1 12421608 SELWLAFENLICBB-UHFFFAOYSA-N 440.500 2.101 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc(N2CCCC2)cc1 12556160 KOKWQOJUKZZYIW-UHFFFAOYSA-N 428.558 2.232 0 40 IEAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 12903449 MWZHMHPOKYDUHA-UHFFFAOYSA-N 441.509 2.486 0 40 IEAB C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C1 12906500 PYQXRGMFXOKAAC-UONOGXRCSA-N 441.571 2.243 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCNC(=O)[C@H](C)Oc3ccc4c(c3)OCO4)n2)cc1 13604428 YTMRNHJLOQSVKC-HNNXBMFYSA-N 437.452 2.231 0 40 IEAB Cn1c(=O)c2c(ncn2CC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)n(C)c1=O 16048680 PJVQFVPFLBTNMG-QGZVFWFLSA-N 447.520 2.314 0 40 IEAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@H](O)COc1ccccc1Cl 16839468 IFDRDOKAPYAKQA-AWEZNQCLSA-N 449.939 2.129 0 40 IEAB Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)N3CCN(c4ccccc4F)CC3)c2C)n1 16849560 LQJQQVXCPYCAOW-UHFFFAOYSA-N 438.507 2.301 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N(C)C3CCCCC3)CC1)CNC2=O 19585835 SDFYIGZFWSZKBM-DEOSSOPVSA-N 443.544 2.360 0 40 IEAB Cc1nccn1C[C@H]1CCCN(C(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)C1 19749263 VMMPRGWSEGGUIO-OAQYLSRUSA-N 447.539 2.222 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 19824012 IJJRSZADMROTTG-UHFFFAOYSA-N 425.485 2.348 0 40 IEAB COCCNC(=O)Cn1nc2c(c1NC(=O)C(=O)c1c(C)[nH]c3ccccc13)CSC2 23138941 IJYMRALIPUITBM-UHFFFAOYSA-N 441.513 2.004 0 40 IEAB CN1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 26113761 NYRGFHXUIANEQX-LJQANCHMSA-N 435.933 2.070 0 40 IEAB C[C@@H](Sc1nnc(Cc2ccc(F)cc2)n1N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 27923155 HXHGETGVQIMASB-SNVBAGLBSA-N 427.465 2.011 0 40 IEAB COc1cc(C(=O)NCC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc(OC)c1OC 33024211 GZIWVAXRHIQWKA-QGZVFWFLSA-N 445.516 2.379 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)CC2)cc1 35897751 SHEWWNRKBLXNOI-LPWQTFTOSA-N 446.569 2.340 0 40 IEAB Cc1nn(C)cc1[C@H]1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)N(C)S(=O)(=O)N1 72335104 WXXKUGMNOZVRIN-CABCVRRESA-N 432.333 2.254 0 40 IEAB O=C(CCc1nc2ncc(Br)cc2[nH]1)NC[C@@H](c1ccco1)N1CCOCC1 79492605 XAZNIHKMGKWCIW-HNNXBMFYSA-N 448.321 2.436 0 40 IEAB CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(F)c(F)c2)CC1 95949705 KJWADIQAUHKUOV-FQEVSTJZSA-N 435.496 2.249 0 40 IEAB COc1cc([C@@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc(OC)c1OC 96115434 MOXMZLJSNNCXKU-OAHLLOKOSA-N 433.457 2.060 0 40 IEAB biogenic CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCn2cnc(C3CCCC3)cc2=O)cc1 96119187 ZJRTXYZZDPTWFP-UHFFFAOYSA-N 432.546 2.474 0 40 IEAB COc1ccc(OCCNC(=O)CCCN(c2ccccc2OC)S(C)(=O)=O)cc1 224739648 NXUOCXQGXMQMCO-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccccc2CN2CCCC2)Oc2ccccc21 224786391 FEWJHHNDIQGGSN-NRFANRHFSA-N 429.542 2.126 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1ccc2c(c1)sc(=O)n2C 225069496 DULULXMNKVYVNS-UHFFFAOYSA-N 449.554 2.430 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)Cc1ccccc1F 225551184 SFBMKMRBPBGQRD-JXMROGBWSA-N 445.560 2.445 0 40 IEAB CN(C)CCOc1ccc(C(=O)N2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1 257285900 PJJJYWDXAADXJX-JOCHJYFZSA-N 448.527 2.275 0 40 IEAB O=C(C[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cncnc2)C1)N1CCOCC1 257335815 YLZSDWPPEPNZQY-QHCPKHFHSA-N 442.491 2.166 0 40 IEAB COC(=O)c1cc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc(C(=O)OC)c1 408624181 FWZTUUPZNXZYHM-UHFFFAOYSA-N 448.497 2.281 0 40 IEAB CN1CCC(C(=O)N2CCO[C@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)CC1 643556047 IBAAAJCPGMQYJT-RUZDIDTESA-N 443.588 2.190 0 40 IEAB Cc1cc(C)n(CC(=O)N2CCN(C)C(=O)[C@H]2Cc2cccc(-c3ccccc3)c2)c(=O)n1 1848351819 QWIWJTGMZHGHQL-HSZRJFAPSA-N 444.535 2.439 0 40 IEAB O=C(Nc1cccc(F)c1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243083 IHYXWZFQDNIWET-KRWDZBQOSA-N 444.488 2.276 0 40 IEAB O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccc(F)cc2)CC1 1330628 HUVFRQVQOPSCBO-UHFFFAOYSA-N 432.459 2.070 0 40 IEAB COCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccncc1 3345787 ZIJHCQKOJBPQOW-UHFFFAOYSA-N 427.486 2.489 0 40 IEAB CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)CC1 3490844 UTPZYAXQIKPYLT-UHFFFAOYSA-N 427.526 2.132 0 40 IEAB C[C@H](OC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)N1CCCCCC1 8708114 OPVCPHRVUMMXBO-ZDUSSCGKSA-N 437.543 2.246 0 40 IEAB Cc1ccc(Cn2cnc3c(cnn3CCNC(=O)COc3ccc(F)cc3)c2=O)cc1 9016320 ICSHXUDLRCPBFH-UHFFFAOYSA-N 435.459 2.284 0 40 IEAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)OCC(=O)N1CCNC1=O 9196796 CCCKPOGOSIGMSV-KRWDZBQOSA-N 429.860 2.296 0 40 IEAB O=S(=O)(NCCCn1cnc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 9548770 DNXZESWPBUFBRF-UHFFFAOYSA-N 448.570 2.189 0 40 IEAB C[C@@H](OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc(C(F)(F)F)cc1 9666440 MEIDEFCFKQDYKU-LLVKDONJSA-N 427.379 2.440 0 40 IEAB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCNc1ccc(Br)cc1 10049308 NQAIDODNNUCMPD-UHFFFAOYSA-N 431.294 2.167 0 40 IEAB CCCC[C@@H](CC)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1 10385595 CLURLWPKPGPXPP-IAGOWNOFSA-N 443.548 2.492 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2nc(C)ncc2-c2cc(C)no2)cc1 12160029 IXLADQWNSVKEIH-UHFFFAOYSA-N 443.529 2.248 0 40 IEAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 12861107 LJLBJZRIQUDELQ-HXOBKFHXSA-N 426.469 2.282 0 40 IEAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1NC(=O)c1ccccc1C(=O)O 13010269 OEMATARNYHMVCS-UHFFFAOYSA-N 425.372 2.499 0 40 IEAB CC[C@@H](C)N(C(=O)CN1CCN(c2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 13055832 KDLGYDQCWYUCKY-SJORKVTESA-N 427.998 2.276 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NC3CCC(O)CC3)c12 14180240 SZBDCPFBLJEQCV-HWOWSKLDSA-N 432.546 2.010 0 40 IEAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCn1[nH]c(=O)ccc1=O 14246670 HDFSREQWPPAZRN-UHFFFAOYSA-N 429.480 2.438 0 40 IEAB O=C(O)c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 16449385 IAYQKHVCTSVXIV-UHFFFAOYSA-N 439.496 2.443 0 40 IEAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)Cc2csc(N3CCCC3=O)n2)c1C 18135396 XOKFZXKRHYRNHL-UHFFFAOYSA-N 436.559 2.318 0 40 IEAB O=S(=O)(c1cccc2nsnc12)N1CCN(Cc2cnn(-c3ccccc3)c2)CC1 19101383 LBHSWXLEOYZNHF-UHFFFAOYSA-N 440.554 2.384 0 40 IEAB COc1ccc(CC(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1OC 19289016 BZORFLYOOYCIOR-UHFFFAOYSA-N 435.528 2.386 0 40 IEAB Nc1c(C(=O)C2CCN(C(=O)CCCN3CCCC3=O)CC2)cnn1-c1cccc(F)c1 19294365 VYMGHAYNEUDCGQ-UHFFFAOYSA-N 441.507 2.418 0 40 IEAB CNc1ncc(C(=O)N2CC[C@H](c3c(C(=O)NCCOC)sc4ncccc34)C2)cn1 19702323 UTGVNKMBSQKXIW-ZDUSSCGKSA-N 440.529 2.134 0 40 IEAB CNc1nc([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2)nc2c1CCN(C(C)=O)C2 19708568 MOADJEDQAAIXLP-IBGZPJMESA-N 426.496 2.338 0 40 IEAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c12 19826317 RMYLYRWYGPEVCL-QFIPXVFZSA-N 429.528 2.208 0 40 IEAB CC(C)(C)NC(=O)NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 21763023 OVIPKHFWKALIGR-UHFFFAOYSA-N 430.427 2.484 0 40 IEAB O=C(CN1N=C(c2ccccc2)c2ccccc2S1(=O)=O)NCc1ccc2c(c1)OCO2 21942447 MHWXPADEGKNZEV-UHFFFAOYSA-N 449.488 2.488 0 40 IEAB COc1ccc(CCCNC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC 22373239 VKBYPBQSWNHQHJ-UHFFFAOYSA-N 442.484 2.497 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 27395489 XTYFETCIVPRKND-UHFFFAOYSA-N 445.541 2.408 0 40 IEAB COc1cc(C(=O)N[C@H](C)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc(OC)c1OC 29339345 URVWCQKEYHJYOB-SNVBAGLBSA-N 435.864 2.222 0 40 IEAB COc1ccc(CNC(=O)Cn2ccn3nc(-c4ccc5c(c4)OCO5)cc3c2=O)cc1 35506029 FTGJAUPQAHDEQH-UHFFFAOYSA-N 432.436 2.217 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3cn(C(F)F)nc3C)CC2)c(OC)c1 36614949 YALFJCIBZKGEJR-UHFFFAOYSA-N 430.477 2.110 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)C(C)C)cc1 40122301 AMQCJDLDDVTVQY-UYAOXDASSA-N 435.590 2.063 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(C)c(NC(C)=O)c2)c(=O)[nH]c1=O 40129199 HTFPFVAEXOAIHB-UHFFFAOYSA-N 429.521 2.489 0 40 IEAB COCC(=O)Nn1ccc2c(cnc3c(-c4ccc(Cl)cc4)c(COC)nn32)c1=O 40397877 BXNVTLBNFKFUMS-UHFFFAOYSA-N 427.848 2.228 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 59934826 YZIYNNJQTSZYBE-QGZVFWFLSA-N 427.526 2.417 0 40 IEAB CSc1ncc(CN2CCN(c3c(F)cccc3[C@@H](O)c3nccn3C)CC2)cn1 72340631 VSLQCOQYKKXVJL-LJQANCHMSA-N 428.537 2.475 0 40 IEAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 89788489 ANBYLGXGFSZLLZ-UHFFFAOYSA-N 425.457 2.149 0 40 IEAB O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96124021 DAZVBTDUOYEYLH-HNNXBMFYSA-N 447.421 2.489 0 40 IEAB COc1ccc(C(=O)N2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)cc1 96144742 IMEDWDDDFVRFPV-LJQANCHMSA-N 426.517 2.194 0 40 IEAB COC(=O)c1cn(C(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c2ccccc12 222629551 HEFXCRBEBKSCFD-UHFFFAOYSA-N 442.493 2.278 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCC1)c1ccc2c(c1)OCO2 224771852 QIOGSCJJFSFCNU-UHFFFAOYSA-N 445.541 2.094 0 40 IEAB O=C(C1CCC1)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 225428216 COTHTYVHDOKHGN-UHFFFAOYSA-N 441.601 2.470 0 40 IEAB biogenic,in-vitro CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@H]2C1=O 238950518 YMLJWSIWMJJMGD-JVCLLDETSA-N 436.555 2.165 0 40 IEAB CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(OC)cc1)S(C)(=O)=O 260897710 KMCJHFUUVZCPDT-ROUUACIJSA-N 434.514 2.196 0 40 IEAB O=C(c1c[nH]c2ccccc12)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306132252 LCYQYAUAWXSYGL-INIZCTEOSA-N 425.510 2.409 0 40 IEAB Cn1cc(-c2ccc(CCNS(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)s2)cn1 1889236421 ALHBOVGEYAZKFE-UHFFFAOYSA-N 444.538 2.323 0 40 IEAB Cc1cc(N2CCC[C@](O)(CNC(=O)CCc3nc4ccc(Cl)cc4[nH]3)C2)ncn1 2037880088 XJYJTJORMMNJBB-NRFANRHFSA-N 428.924 2.395 0 40 IEAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1C 9582867 HLOWDNKRJSXGLK-UHFFFAOYSA-N 447.542 2.081 0 40 IEAB CCN(c1ccc(C(=O)Nc2ccccc2C(=O)NCCCOC)cc1)S(C)(=O)=O 10008625 FKMWCLDKUUOVAG-UHFFFAOYSA-N 433.530 2.491 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCCN3C(=O)CS(=O)(=O)c3ccc(F)cc3)cc2n1 12161128 DBGOPNPMMHDDTQ-QGZVFWFLSA-N 432.477 2.410 0 40 IEAB Cn1c(=O)c2c(ncn2CCCC(=O)Nc2nc3ccc(Cl)cc3s2)n(C)c1=O 12602876 AQEUSYJPMDWNLI-UHFFFAOYSA-N 432.893 2.116 0 40 IEAB COc1ccc(Cl)cc1N(CC(=O)NCCN(C)C)S(=O)(=O)c1ccccc1 13632643 XVOSCZSWNJUOJP-UHFFFAOYSA-N 425.938 2.222 0 40 IEAB CCSc1nnc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)s1 16694427 BFSJGZZIHUHDTC-ZDUSSCGKSA-N 428.561 2.451 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccccc3)cc(C(=O)N3CCOCC3)c12 16992916 BEPNNRDHNBHVKP-QGZVFWFLSA-N 440.525 2.239 0 40 IEAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@H]2N(C(=O)CN2CCCC2=O)C3)cc1OC 19561650 DPTZCCCGWKSFDX-IAGOWNOFSA-N 439.516 2.411 0 40 IEAB Cn1cc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)Cc3ccccn3)CC2)n1 19756351 FBXXQMCVRKBJHR-UHFFFAOYSA-N 432.528 2.164 0 40 IEAB CCS(=O)(=O)N(CC(=O)N(C)Cc1ccccc1OC)c1ccc2c(c1)OCCO2 20042913 VLSYCRPTLZJNKS-UHFFFAOYSA-N 434.514 2.281 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=S)NC[C@@H]3CCCO3)cc2c1 26099852 CWEZUANGZRPGML-FQEVSTJZSA-N 444.601 2.024 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1C 29029471 RKHJWSBQJPUBRY-UHFFFAOYSA-N 441.557 2.421 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)cc1 32841545 MIHXNSCKRHDRJV-UHFFFAOYSA-N 430.526 2.276 0 40 IEAB CCOC(=O)c1sc2ncn(C[C@@H](O)COCc3ccc4c(c3)OCO4)c(=O)c2c1C 32854257 RLVHUSNOYZEKHK-CQSZACIVSA-N 446.481 2.250 0 40 IEAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)CC2)cc1 34888604 LOCFANASNCUYJH-JOCHJYFZSA-N 448.567 2.169 0 40 IEAB C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cc(Br)ccc1Br 40135533 XRVKYIOAJDEZSD-IUCAKERBSA-N 440.157 2.486 0 40 IEAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C(=O)NC1CCCC1 56945405 IZAREFLHTCUEHL-FQEVSTJZSA-N 428.508 2.457 0 40 IEAB CCOC(=O)N1CCc2nn(CC(=O)NCc3ccc(C(F)(F)F)cc3)c(=O)cc2C1 67319081 BEGBDVJPYIGGFT-UHFFFAOYSA-N 438.406 2.093 0 40 IEAB O=C(CN1CCOCC1)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352439 AAELXXJJHPAXEQ-KRWDZBQOSA-N 443.569 2.022 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3ccc(-c4nc(C)no4)cn3)C2)C1 90591864 HSYLMNJVGMMVPD-QZTJIDSGSA-N 427.505 2.458 0 40 IEAB CCCCOCCOCCOCCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 104530085 BYDMVSJSMATFEA-QWFCFKBJSA-N 445.626 2.068 0 40 IEAB CCOc1ccc(N([C@@H](C)C(=O)NCCOc2ccccc2OC)S(C)(=O)=O)cc1 223707781 QEUOGSYABFMTKT-INIZCTEOSA-N 436.530 2.444 0 40 IEAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1 224558992 ORAKNTAOJRNIDO-UHFFFAOYSA-N 431.558 2.235 0 40 IEAB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224828087 BWAQWUSBYIASBI-UHFFFAOYSA-N 437.470 2.233 0 40 IEAB Cn1cnc(CNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)n1 604404348 FJUWRWROLLSWKV-NRFANRHFSA-N 430.468 2.027 0 40 IEAB biogenic COc1ncc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4ccc(F)cc4)C3)C2)cc1C 2056226195 MRGSNWQHGTYQOY-NFBKMPQASA-N 429.492 2.214 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c(C)c1 4666985 JLXNSISUEZWRPM-UHFFFAOYSA-N 429.608 2.039 0 40 IEAB COc1cc2c(c(OC)c1OC)-c1ccc(S(C)(=O)=O)c(=O)cc1[C@@H](NC(C)=O)CC2 5574102 ONNFMPUFCCPFAO-INIZCTEOSA-N 447.509 2.267 0 40 IEAB CC1=NN(C(=O)CCCCC(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)[C@](O)(C(F)(F)F)C1 9373371 QLGANAMEXRXKCO-ZIAGYGMSSA-N 446.348 2.265 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NC2CCCC2)c1 9748856 AYNXALIZEFZYKL-LJQANCHMSA-N 435.590 2.412 0 40 IEAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)C2)on1 12128094 SBOSVFAJZBHCFC-XKPOPYSVSA-N 449.511 2.177 0 40 IEAB CCOC(=O)CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 13684721 UXYRRPLBKQONJP-QWHCGFSZSA-N 433.349 2.087 0 40 IEAB CC(=O)N1CCN(C(=O)CN2N=C(c3ccccc3)Cn3c(cc4sccc43)C2=O)CC1 19017815 KBCIJOQQSYUQIS-UHFFFAOYSA-N 449.536 2.254 0 40 IEAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)[C@H](C)CN3CCOCC3)CC1)N2 19128344 JJWQLALXDWHPND-FHLIZLRMSA-N 425.524 2.389 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)CN3CCC(O)(Cc4ccccc4)CC3)ccc21 19573070 OYEMVGKTOOEIRW-UHFFFAOYSA-N 428.554 2.261 0 40 IEAB Cc1c([C@@H](O)CN2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c2ccccc2n1C 19581814 KLRNTBPNHMBFPQ-NRFANRHFSA-N 434.606 2.114 0 40 IEAB CN(C)c1nc2c(c(N3CCN(c4ncccn4)CC3)n1)CN(Cc1ccccc1)CC2 19585178 WPAKNYWVLZBGMD-UHFFFAOYSA-N 430.560 2.218 0 40 IEAB CNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCN(CC(=O)Nc2nccs2)C1 19696002 BFLICEPAOVWUJJ-OAQYLSRUSA-N 425.514 2.417 0 40 IEAB CNc1cc([C@@H]2CC(=O)N(C)C2)nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 19697480 NBBYHOFMUDJCNI-MRXNPFEDSA-N 441.507 2.388 0 40 IEAB Cc1n[nH]cc1C(=O)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702928 CGPPXWYCNBLNGX-MRXNPFEDSA-N 441.513 2.014 0 40 IEAB CNc1nc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2c1CCN(C(C)=O)C2 19710945 SHNRQHXMNJXYAW-UHFFFAOYSA-N 447.536 2.130 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3cc(OC)c(OC)cc3c1=O)CC2 20761137 PFHXTXCQAGAJNE-UHFFFAOYSA-N 439.468 2.016 0 40 IEAB biogenic CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)COC)cc1C 22247488 WMMMFOJMZKKQOH-PXNSSMCTSA-N 434.558 2.434 0 40 IEAB CN(Cc1ccccc1)C(=O)COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1 22250204 RKWDXPBMNHVZAV-UHFFFAOYSA-N 438.933 2.398 0 40 IEAB CCCCOC[C@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 22802847 IZVQLSNBASPZJP-HXUWFJFHSA-N 439.556 2.231 0 40 IEAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 23013551 PRAOJFKWYKMBPV-CQSZACIVSA-N 435.571 2.237 0 40 IEAB CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1ccc(OC)cc1 38200773 ZUDFNEPCSVWSQT-KRWDZBQOSA-N 437.456 2.287 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2)c1 40133516 MQOYLHPREHWAOW-UHFFFAOYSA-N 429.448 2.433 0 40 IEAB CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)NCc2cccc(OC)c2OC)c1=O 44840497 WCVRWKPDVLGPPY-OAHLLOKOSA-N 425.485 2.468 0 40 IEAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nnc([C@@H]2CCCO2)s1 61720320 PXOBKNKIABKUEX-HOCLYGCPSA-N 430.534 2.248 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2cc3c(=O)n4cc(C)ccc4nc3n2C)CC1 96347355 RTUJJDDLUWVIJB-UHFFFAOYSA-N 431.496 2.466 0 40 IEAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)cc1 223292944 NQHFFTGHZQFNSR-JXMROGBWSA-N 434.470 2.050 0 40 IEAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224009696 CHIUXJPRSLGVGM-QGZVFWFLSA-N 448.541 2.424 0 40 IEAB CCOC(=O)CN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccccc1 224680710 YJTMGESMMNMJSZ-UHFFFAOYSA-N 437.470 2.249 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)OC)N1C=Cc3ccccc3[C@@H]21 247855372 TZIHBFDCGFSPRF-ZGXWSNOMSA-N 432.432 2.162 0 40 IEAB COC1CCN([C@H]2[C@H](NC(=O)c3cncc(C)c3)C[C@@H](Oc3ccccc3)[C@@H]2O)CC1 257209414 BQGVAEXMSZQIKO-LUKWVAJMSA-N 425.529 2.180 0 40 IEAB Cc1nn(C)cc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257248680 JETGJEUVKOEYSB-WPFOTENUSA-N 426.561 2.032 0 40 IEAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(S(=O)(=O)c1ccc(F)c(C)c1)CC2 257325946 WVCIRUKILVXRDI-OAHLLOKOSA-N 447.536 2.049 0 40 IEAB Cc1cc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4n[nH]c(=O)c5ccccc45)C3)n2)[nH]n1 257344238 ZWFUJVSKIXSXTE-CQSZACIVSA-N 430.472 2.426 0 40 IEAB O=C(O[C@@H]1C(=O)N(Cc2ccccn2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 409280398 KCACKUYJAWPKSQ-BGYRXZFFSA-N 430.416 2.402 0 40 IEAB COc1cc(CNCc2cccc(NS(C)(=O)=O)c2)ccc1OCC(=O)N1CCCC1 520209841 IUQDFDOXLPMRMT-UHFFFAOYSA-N 447.557 2.358 0 40 IEAB CO[C@H]1[C@H]2C[C@H]3CN(C(=O)[C@H]4CCC[C@H]4C(=O)N4C[C@H]5C[C@H]6C[C@@H]5[C@H]4[C@@H]6OC)[C@@H]1[C@@H]3C2 553324208 GMSJEEKRUSNIFB-GKQYAHLZSA-N 428.573 2.166 0 40 IEAB Cn1nc(-c2cccs2)cc1CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1775966445 FCAOVXHQEGIWCF-UHFFFAOYSA-N 446.554 2.100 0 40 IEAB Cn1nccc1CN1CCC[C@]2(CCCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)C1 2056223415 KDTSEZZVFZOWQK-QFIPXVFZSA-N 430.574 2.422 0 40 IEAB O=C1NC(=O)[C@H](Cc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)S1 1396314 XFOWKFXLTXOMFP-SFHVURJKSA-N 431.539 2.092 0 40 IEAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3246669 RJCAGUPHHASPOY-HUUCEWRRSA-N 428.576 2.482 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 9348197 FFMQQYGXFIRNGV-JFUVEBOBSA-N 434.539 2.315 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)CC1 9414788 GTBWYETVVLEBAC-UHFFFAOYSA-N 426.502 2.184 0 40 IEAB CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 9620894 WONXFHXASOMMJA-UHFFFAOYSA-N 440.367 2.490 0 40 IEAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21)Nc1ccc2c(c1)OCO2 9674611 SHSNGYSNCAQDKC-IAGOWNOFSA-N 427.804 2.001 0 40 IEAB COc1cc(OC)c(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1OC 10375380 MKMFVUJFLVYHIW-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1cccc(CC)c1 10385682 IFFKTUIIHSPZMZ-QGZVFWFLSA-N 443.548 2.418 0 40 IEAB CC1(C)CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2)C1=O 11859493 OTPMOJYEEHMSSL-UHFFFAOYSA-N 445.516 2.491 0 40 IEAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCc2c(F)cccc2F)c3=O)cc1 12234183 GWURMVMJCFDZKL-UHFFFAOYSA-N 427.411 2.397 0 40 IEAB COc1cccc(Nc2nnc(SCC(=O)N3CCN(C(=O)C4CC4)CC3)s2)c1 12542508 RUWWHVAUSCVZLL-UHFFFAOYSA-N 433.559 2.463 0 40 IEAB C[C@@H](NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc(-n2cncn2)cc1 12697298 LITWWZMDUFCHCQ-MZNJEOGPSA-N 446.511 2.388 0 40 IEAB CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 14020377 ADLPEGSQLBMDFH-UHFFFAOYSA-N 431.624 2.122 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 15244222 MYOOFRIYBKIAIZ-UHFFFAOYSA-N 434.470 2.200 0 40 IEAB C[C@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(-n2cncn2)cc1 18159632 DQXCQWDDRSVSST-INIZCTEOSA-N 432.484 2.001 0 40 IEAB Cc1nc(C)c(CC(=O)NCc2ccc(-c3n[nH]cc3C(=O)N3CCOCC3)cc2)s1 19560532 RWMLXRYPEQHIRB-UHFFFAOYSA-N 439.541 2.481 0 40 IEAB Cc1cc(=O)c(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)nn1-c1ccccc1 23805924 IKPLXOOFKGHIIA-UHFFFAOYSA-N 430.508 2.434 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 25063060 JMKFONRSSBMDNB-UHFFFAOYSA-N 444.513 2.062 0 40 IEAB COc1ccccc1-c1nc2s/c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2n1 26534096 ODTMNQMISAWJEE-GZTJUZNOSA-N 425.466 2.400 0 40 IEAB CC(C)Cn1c(SCC(=O)NC[C@@H]2COc3ccccc3O2)nc2ncccc2c1=O 32893463 WSVQRTNFZAJMGJ-OAHLLOKOSA-N 440.525 2.496 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(O[C@H](C)C(=O)OC)cc3)C2=O)o1 33659139 JDVLTKTYKHJUFK-YUSFRKCESA-N 428.397 2.099 0 40 IEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 40142602 XGZSOMCABCBQPN-SFHVURJKSA-N 445.541 2.152 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c32)c1 40388945 DKZGPSXJDFHMPK-OCCSQVGLSA-N 441.488 2.088 0 40 IEAB CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)COc1ccc2c(c1)CCC(=O)N2 57991843 MVMSTJBWGGJXPH-SFHVURJKSA-N 431.533 2.216 0 40 IEAB O=C1CCC(=O)N(c2ccc(C(=O)OCC(=O)N3CCC[C@H]3c3cccs3)cc2)N1 58281323 SZBXUNWWSUAPBA-INIZCTEOSA-N 427.482 2.427 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 65528634 CPOBUTKBBRWHJZ-UHFFFAOYSA-N 444.444 2.381 0 40 IEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H](c1nc(-c3cccnc3)no1)C(C)C)C2=O 65624669 ZGBKPGALAHIWBF-XKZIZAOGSA-N 440.504 2.446 0 40 IEAB C[C@@H]1CCc2onc(C(=O)N3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c2C1 72338840 XKCHOYPFAVTTPZ-ZUOKHONESA-N 430.530 2.382 0 40 IEAB Cn1cc(CN2C[C@@H]3CN(Cc4ccsc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 96056188 WOZKRPOHRZQUOJ-GMAHTHKFSA-N 443.617 2.055 0 40 IEAB Cc1cc(NC(=O)[C@H]2CCCN(c3ccc(-n4cncn4)nn3)C2)n(-c2ccccc2)n1 96124139 TVGTYUJZIFTQRE-KRWDZBQOSA-N 429.488 2.407 0 40 IEAB CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 100776775 ZOEKMFSWKCMZIG-LVQVYYBASA-N 427.542 2.048 0 40 IEAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCOCC3)c2c1 105692353 AISBDOYXQQYBGB-ZRGWGRIASA-N 427.457 2.231 0 40 IEAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219662828 HHXJWUFNNJKWHO-AWEZNQCLSA-N 429.498 2.388 0 40 IEAB COc1cccc(N(CCCC(=O)NCCCN2CCC(C)CC2)S(C)(=O)=O)c1 225764781 ZAXBGUGJOSMRED-UHFFFAOYSA-N 425.595 2.480 0 40 IEAB Cn1c(=O)oc2ccc(S(=O)(=O)NC[C@@](O)(c3ccsc3)c3cccs3)cc21 253408743 YSGCFYZDMAASLJ-GOSISDBHSA-N 436.536 2.469 0 40 IEAB O=C(NC[C@H]1CC[C@]2(COCCN(Cc3ccccc3-n3cccn3)C2)O1)c1cccnc1 306129955 ISGBEDFNZSJXKA-RDGATRHJSA-N 447.539 2.447 0 40 IEAB O=S1(=O)C=C[C@H](CNS(=O)(=O)c2cc(Br)ccc2Br)C1 575423679 PUCXYDKVYHBAAQ-MRVPVSSYSA-N 445.154 2.048 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCn3cc(CC(=O)NCc4ccco4)nc3[C@@H]2C)cc1 585097905 OWGHXEFQKJLIKD-INIZCTEOSA-N 428.514 2.409 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1=O 643557309 ROMOUDNHCIYIOJ-DEOSSOPVSA-N 440.544 2.285 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)C12CN(S(=O)(=O)C(C)C)C2 1549167791 RGOHJCVRSRYEQE-LJQANCHMSA-N 433.574 2.049 0 40 IEAB CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 1570126938 LHPLYZIZERXIIG-HNNXBMFYSA-N 436.461 2.217 0 40 IEAB COc1ccc2c(c1)CCC[C@@]21NC(=O)N(CC(=O)Nc2ccc(OC)c(OC)c2)C1=O 2657169 NOZDSRQHTQNMOZ-HSZRJFAPSA-N 439.468 2.435 0 40 IEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)cc1 9192698 ONXMPFMORYDDJV-HXUWFJFHSA-N 427.526 2.024 0 40 IEAB O=C(CN1C(=O)CCOc2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9546706 ILEBRWRPQOESHO-UHFFFAOYSA-N 429.498 2.225 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)Oc1cccc(C)c1 9789412 CVQHYEHRVHBFAA-MRXNPFEDSA-N 434.514 2.431 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)nn3-c3nc4c(c(=O)[nH]3)CCC4)CC2=O)cc1 9822616 TUVYOICDKRSTND-HNNXBMFYSA-N 432.484 2.053 0 40 IEAB O=C(O[C@H](C(=O)NCc1ccccn1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 9974199 QWMTYAMJYIDTKU-VQTJNVASSA-N 448.431 2.234 0 40 IEAB COc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3cccc(F)c3)CC2)c1 11665882 JQMQILAEFZHTIL-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[C@@H](c3nc(-c4ccccc4)no3)N(C)C2)cc1 12530096 ASAUDTFEDJBKGC-HKUYNNGSSA-N 441.513 2.419 0 40 IEAB biogenic,in-vitro O=C(CNC1=NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12794563 QZKPOKBARWZWGU-KRWDZBQOSA-N 441.509 2.250 0 40 IEAB CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O 12860013 WYAMNJUPQNEGOI-VAFBSOEGSA-N 436.504 2.449 0 40 IEAB CCN(C(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 12862261 UIWKZAHHYVPLHS-QGZVFWFLSA-N 436.555 2.161 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)O)CC1 12863245 JZWFWMYSUQZTEL-PVAVHDDUSA-N 439.553 2.240 0 40 IEAB biogenic COc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)c1 12871919 AVBQSWVIBLZGBR-HNNXBMFYSA-N 431.514 2.246 0 40 IEAB Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)NCCCc1ccccc1 13690891 ODWNUSREMARCHN-INIZCTEOSA-N 436.555 2.219 0 40 IEAB CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccccc3F)cc2)C1=O 13728780 BGIKYIHUNMNWJJ-UHFFFAOYSA-N 426.491 2.007 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNC(=O)c1cccs1 14170510 QWRYLCLGQAKUAI-UHFFFAOYSA-N 437.543 2.300 0 40 IEAB CCn1c(SCC(=O)c2ccc(CCNS(C)(=O)=O)cc2)nc2ccccc2c1=O 16550116 ARZYPQVARCWICQ-UHFFFAOYSA-N 445.566 2.483 0 40 IEAB CN1C[C@@H](c2cc(N(C)C)nc(C3CCN(CC(=O)NC4CCCCC4)CC3)n2)CC1=O 19697515 PZSIBYPAYYJVPT-SFHVURJKSA-N 442.608 2.117 0 40 IEAB Cc1nc(CC(=O)NCC2CCC(c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)cs1 19742956 WWGVCYXAAMGNKY-UHFFFAOYSA-N 441.557 2.030 0 40 IEAB O=C(Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O)NC[C@H]1CCCO1 22767960 IJUVOQGGCJXVKQ-MRXNPFEDSA-N 427.892 2.408 0 40 IEAB O=C(Cn1nnc(-c2cccs2)n1)N1CCN(Cc2nc3ccccc3s2)CC1 23967750 CUVKZNRPMCYWCE-UHFFFAOYSA-N 425.543 2.356 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)CCO4)CC2)cc1 26541826 BKOPBPPPQIHBCQ-YCRREMRBSA-N 428.510 2.176 0 40 IEAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3cccc(OC)c3)n(N)c2=O)cc1 27546245 WCBLMVWVKSKXMR-UHFFFAOYSA-N 441.513 2.081 0 40 IEAB COc1ccc(CN(CC(=O)N2CCc3ccccc3C2)[C@H]2CCS(=O)(=O)C2)cc1 27649093 WWDUDWCZQGBZJR-NRFANRHFSA-N 428.554 2.269 0 40 IEAB Cc1nc(COc2ccccc2C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)no1 30915771 INCSZQZUVBERRT-UHFFFAOYSA-N 442.497 2.104 0 40 IEAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 32731220 OFCSHYBOLSXDHQ-QGZVFWFLSA-N 425.485 2.374 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)N1CCc2ccccc21 35392913 PUWAFVIBSUNCIP-UHFFFAOYSA-N 425.963 2.297 0 40 IEAB COc1cccc(N2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC2)c1 36386209 NNRKFTXRBBTMGL-UHFFFAOYSA-N 428.558 2.495 0 40 IEAB O=S1(=O)CC[C@H](N(C2CC2)S(=O)(=O)c2ccc(Br)cc2Cl)C1 58457621 NLZPJZUKYWCSAT-NSHDSACASA-N 428.757 2.443 0 40 IEAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(N2CCCCS2(=O)=O)cc1 72405584 YQMMRGLEVQDDIN-GOSISDBHSA-N 442.497 2.345 0 40 IEAB CCOc1ccccc1S(=O)(=O)N1CC(c2nc(-c3cccc(C(=O)NC)c3)no2)C1 77191237 PBYYIZHKQSDUPX-UHFFFAOYSA-N 442.497 2.283 0 40 IEAB Cn1ncc2c(=O)n(CC(=O)NCc3ccc(-n4cnc5ccccc54)cc3Cl)cnc21 89745544 ODWGYJWNVULXFI-UHFFFAOYSA-N 447.886 2.439 0 40 IEAB O=C(NC[C@H]1CCN(CC(F)(F)F)C1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 97438449 XOPRGOFZWWBZTP-OAHLLOKOSA-N 448.511 2.023 0 40 IEAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCc2ccc(O)cc2)c2cc(Br)ccc21 101460184 UMPAPHHHPPGNDY-KRWDZBQOSA-N 446.301 2.037 0 40 IEAB COc1ccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 224899353 DHSWIHQOAHBKDJ-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB COc1cccc(OC)c1CNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O 226049791 SNYJHUQEPIKDPA-UHFFFAOYSA-N 426.922 2.435 0 40 IEAB COc1ccc(CN(C)[C@H]2CN(Cc3cccc(CN4CCOCC4)c3)C[C@@H]2O)cc1 257336322 YNXSGRVSOYZWSO-DQEYMECFSA-N 425.573 2.205 0 40 IEAB COc1cccc(Cc2cc(C)nc([C@H]3CN(C(=O)Cn4nc(C)ccc4=O)CCO3)c2)c1 257338748 YYVAHPXFLFPSGW-HSZRJFAPSA-N 448.523 2.455 0 40 IEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)s1 260790532 CPRNPVIGMRJRLR-AWEZNQCLSA-N 437.591 2.499 0 40 IEAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)C[C@@H](C(=O)NCc1ccco1)O2 306128084 GPSZUAIJTNDTQX-NRFANRHFSA-N 425.529 2.139 0 40 IEAB Cc1cc(COc2ccc(C(=O)NCCN3CCN(C)CC3)cc2Br)no1 591116195 QLNUEGUBHSZIAD-UHFFFAOYSA-N 437.338 2.302 0 40 IEAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2c3c(nn2C)CCCC3)CC1 1888881938 UWPDHAPDSYFTGX-UHFFFAOYSA-N 427.574 2.344 0 40 IEAB Cn1nccc1CN1CCC[C@@]2(CCCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)C1 2056223414 KDTSEZZVFZOWQK-JOCHJYFZSA-N 430.574 2.422 0 40 IEAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)NCc3ccccc3)C[C@H]2NCc2ccnn2C)[nH]1 2332241886 BDGNQXWWXUXQCQ-YVNJGZBMSA-N 436.560 2.206 0 40 IEAB COc1cc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc(OC)c1OC 805019 SGQUJRREBMVOGU-UHFFFAOYSA-N 449.529 2.046 0 40 IEAB CC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)CC1 3413850 QATKXRAQQAQUPU-INIZCTEOSA-N 427.526 2.131 0 40 IEAB O=C(NCCc1ccccc1)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 4034966 WIMGKGMBXJVERQ-INIZCTEOSA-N 430.555 2.451 0 40 IEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)N1CCc3ccccc31)C2=O 5365196 YYRDVRCGGKRKLB-NPMXOYFQSA-N 427.501 2.256 0 40 IEAB CC1=NN(C)c2nc3c(c(=O)n(Cc4ccc(Br)cc4)c(=O)n3C)n2[C@@H]1C 8725090 ZWUNJVDABVVFSO-LLVKDONJSA-N 431.294 2.094 0 40 IEAB CC(=O)N1C[C@H](N[C@@H](Cc2c[nH]cn2)C(=O)O)C(c2ccc(Oc3ccccc3)cc2)=N1 8781411 XFTRHCIMFJAQGE-SFTDATJTSA-N 433.468 2.422 0 40 IEAB COc1ccc(CNC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc6c(c5)OCO6)C(=O)[C@H]24)O3)cc1 9410522 PDNWLAIFJBGZSB-RHQSAMMMSA-N 448.475 2.022 0 40 IEAB O=C([C@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12568060 UIFREOACJYQGOF-CQSZACIVSA-N 428.919 2.074 0 40 IEAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 12861115 LJLBJZRIQUDELQ-GAJHUEQPSA-N 426.469 2.282 0 40 IEAB Cc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H](N)CC(C)C)CC2)C(C)C)cc1 12873251 YWWGOYDNOAIZDC-VXKWHMMOSA-N 444.620 2.364 0 40 IEAB biogenic COCCNC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1 19695780 LISGMROLIIXKLW-INIZCTEOSA-N 428.514 2.225 0 40 IEAB O=C(NCCN1CCOCC1)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 20644729 ISTMEPZKIWNYEU-UHFFFAOYSA-N 430.574 2.314 0 40 IEAB COc1ccc(CCCNC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1 22333498 BWJWZKDVOZPVCC-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)cc2)C1 23685571 HUUIQKBOPJBADX-LIVBEALHSA-N 437.587 2.500 0 40 IEAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 24075312 AMBPBZYJDNVYCX-UHFFFAOYSA-N 428.514 2.234 0 40 IEAB COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)c2cn(C)c3ccccc23)CC1=O 32092762 GNAKROHAEWDIKK-INIZCTEOSA-N 434.496 2.086 0 40 IEAB COc1ccc(CCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1OC 32983252 UAEBVWHIMGEOLQ-JOCHJYFZSA-N 440.496 2.147 0 40 IEAB CC(C)(C)c1ccccc1OC[C@H](O)Cn1nnc(CCN2C(=O)c3ccccc3C2=O)n1 58196322 PFYHHNJESYVTRR-MRXNPFEDSA-N 449.511 2.249 0 40 IEAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3C(=O)N3CCOCC3)c(Cl)cc2N1 65563620 ZTGNLEDDSZCABZ-UHFFFAOYSA-N 435.889 2.108 0 40 IEAB O=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)Nc1nccs1 67197360 JKRMDOGCHIZQPK-UHFFFAOYSA-N 431.275 2.416 0 40 IEAB CC(C)CN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1nc2ccccc2s1 69413744 FYBLLMQPSGKPTC-CQSZACIVSA-N 448.570 2.451 0 40 IEAB O=C(c1cn(-c2ccccc2Cl)nn1)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 96005284 RGMVQUXZQTWEHP-OAHLLOKOSA-N 437.953 2.387 0 40 IEAB Cc1ccc(CC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4nnc(C)o4)C[C@@H]3C2)cc1 96251287 DEYLNYQMHDVUCZ-CVDCTZTESA-N 425.533 2.062 0 40 IEAB COc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4n[nH]c5cccc(F)c45)C3)CC2)c1 96345425 CXZQOGMCXHJINE-HNNXBMFYSA-N 437.475 2.412 0 40 IEAB COc1ccc([C@H](O)[C@@](Br)(I)S(C)(=O)=O)cc1 96521059 KXKRPUJMQBBADJ-VHSXEESVSA-N 435.077 2.257 0 40 IEAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1 100201179 DWAFWTZNNJYQGW-QZTJIDSGSA-N 441.557 2.116 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc23)cc1 222742140 OPPXSCRHZWTDFA-UHFFFAOYSA-N 428.510 2.460 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCO)Cc2ccccc2)cc1Cl 408585252 YCZBCVRIAKEHTK-UHFFFAOYSA-N 426.922 2.038 0 40 IEAB O=C(CN1CC(=O)Oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 938301 DMICSRPFPAAGQX-UHFFFAOYSA-N 429.498 2.225 0 40 IEAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c2C1 2637855 RDMLTUUGNHEBTA-LSDHHAIUSA-N 430.526 2.162 0 40 IEAB Cc1ccc(N2C(=O)C[C@H](N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)C2=O)cc1 2644863 FILUVEJNMWGFQQ-IBGZPJMESA-N 447.944 2.287 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1C 8686235 HOMOELKBCAUBPK-KKUMJFAQSA-N 432.473 2.098 0 40 IEAB CCNC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 9468264 JZKWBWQBFXBYNW-UHFFFAOYSA-N 434.518 2.474 0 40 IEAB COc1cccc([C@H](NS(=O)(=O)CCn2cnc3ccccc32)c2nccn2C)c1 10519215 DIPPLXGUWHQQLZ-FQEVSTJZSA-N 425.514 2.487 0 40 IEAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCC1(c2ccc3c(c2)OCCO3)CCCC1 10778813 DIQUPRUPYQEBLE-UHFFFAOYSA-N 435.480 2.089 0 40 IEAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCCc2ccc(OC)cc2)c3=O)cc1 12234157 KTYMNPZMBCOJPI-UHFFFAOYSA-N 435.484 2.170 0 40 IEAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c(Cl)cc21 12428003 IHVYZDOAQILWEO-UHFFFAOYSA-N 425.869 2.435 0 40 IEAB COc1ccccc1CNC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 12915452 LUCPPYRCOXPXQF-LJQANCHMSA-N 445.585 2.405 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1c(F)cccc1F 13567067 IAEUXEFVBKMRHE-UHFFFAOYSA-N 426.441 2.312 0 40 IEAB COc1ccc(CCC(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 15881670 MIKYPCGDJGBKAZ-UHFFFAOYSA-N 445.585 2.059 0 40 IEAB Nc1nc(N)nc(CSc2nc3sc4c(c3c(=O)n2C[C@@H]2CCCO2)CCCC4)n1 17707339 ZWSAGOHBPAFYRV-JTQLQIEISA-N 445.574 2.158 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 18891821 HDBJKZMRMZHCND-INIZCTEOSA-N 446.525 2.278 0 40 IEAB CN(c1ccc(C(=O)NCCN2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 19991848 ZGRLOGSTWDJEQT-UHFFFAOYSA-N 437.949 2.227 0 40 IEAB O=C(CN1CCN(Cc2ccccc2)CC1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 22917684 RFBIQVUAEUABQX-QFIPXVFZSA-N 433.618 2.153 0 40 IEAB COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1ccc(CN2CCCC2=O)cc1 23064014 RKSGMARIKQWRKT-UHFFFAOYSA-N 446.481 2.383 0 40 IEAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 26661639 AHLKPTRKYFFACH-OAHLLOKOSA-N 429.498 2.101 0 40 IEAB CC(=O)c1cc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc1C 27379346 XLWJOSFCRLQLND-UHFFFAOYSA-N 434.514 2.061 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1 32945293 MJAAURKZABNCDY-UHFFFAOYSA-N 439.873 2.401 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C(=O)O)CC2)cc1C 35897740 GVFZYOXBBXDWLC-UMGGQSCQSA-N 432.542 2.049 0 40 IEAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc2c(c1)OCO2 40309138 ZMBCYVCMEXUSQR-UWJYYQICSA-N 434.452 2.491 0 40 IEAB biogenic COc1ccc(CNC(=O)CN2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1OC 57486192 UVNXFABCYBZEQT-UHFFFAOYSA-N 425.529 2.395 0 40 IEAB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CC(=O)Nc1c(C)nn(C)c1C 58015957 GTKGUWYPGCLSAQ-KRWDZBQOSA-N 430.505 2.155 0 40 IEAB COc1ccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCCCC3)c2=O)cc1Cl 67245827 LGEPZQPTEWBJTF-UHFFFAOYSA-N 439.921 2.324 0 40 IEAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)nc(C)n3[C@H]2CCS(=O)(=O)C2)C1 72301650 RSFVDEBDDGWGPF-MSOLQXFVSA-N 446.573 2.083 0 40 IEAB C[C@H]1CN(c2ccc(NC(=O)N3CCC(C(=O)NCCCO)CC3)cc2F)C[C@@H](C)O1 72318892 QCQKRRVVDPFATK-IYBDPMFKSA-N 436.528 2.182 0 40 IEAB O=C(Cn1cc(C(=O)Nc2cccc(Cn3cccn3)c2)ccc1=O)Nc1nccs1 72392204 MHOYDOUPTFISSP-UHFFFAOYSA-N 434.481 2.441 0 40 IEAB CC(=O)c1ccc2c(c1)N([C@@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CO2 73658909 KVDIHXSWFATDPM-AWEZNQCLSA-N 431.489 2.082 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)C(=O)Nc3ccccc3)C2)cc1 95471243 KZJLEGDVIDUGQH-SJORKVTESA-N 445.541 2.239 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H](NC(=O)c2cc3cc(OC)ccc3n2C)C(C)C)CC1 95471324 ZTSAKFAKBMWQKU-HXUWFJFHSA-N 444.532 2.242 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F 225009307 IVAXRKGBDRINCB-UHFFFAOYSA-N 425.457 2.206 0 40 IEAB O=C(NCC[C@H](O)c1cccc(Cl)c1)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 225613167 FNYRYGKOCGBLBZ-SFHVURJKSA-N 427.888 2.354 0 40 IEAB Cc1nc(N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc(C(F)(F)F)n1 225732970 IAYGIGZZKUXEGX-UHFFFAOYSA-N 437.422 2.379 0 40 IEAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@H]4CCN(C(=O)c5ccnn5C)C4)nc32)cc1 257343100 ZRMQGWHVKFCDAK-KRWDZBQOSA-N 446.511 2.246 0 40 IEAB COc1ccccc1-c1ccc2c([C@H]3CN(C(=O)c4ccnn4C)CCN3C)nnn2c1 306126462 DWPJFCCOQVUKLL-HXUWFJFHSA-N 431.500 2.267 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3CC[C@H](c4cccs4)S(=O)(=O)CC3)ccc2N1 390829942 HPOXAWYXIXEPAI-QGZVFWFLSA-N 440.568 2.183 0 40 IEAB CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)Cc2ccc(Br)cc2O)c1 548074099 PYTNUHIVQAHYLC-LLVKDONJSA-N 427.320 2.483 0 40 IEAB O=S1(=O)C=C[C@@H](CNS(=O)(=O)c2cc(Br)ccc2Br)C1 575423685 PUCXYDKVYHBAAQ-QMMMGPOBSA-N 445.154 2.048 0 40 IEAB Cc1noc(C2(C)CCN(CC3(CN4CCC(C)(c5nc(C)no5)CC4)COC3)CC2)n1 679863829 PRFLIPWUUBFGGX-UHFFFAOYSA-N 444.580 2.493 0 40 IEAB COCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 2972075 ZDRIPSCGKKLYIA-UHFFFAOYSA-N 427.482 2.028 0 40 IEAB CC(C)N(C(=O)NC(=O)Nc1ccc(I)cc1)S(C)(=O)=O 3206452 SMRNPIANANIHTD-UHFFFAOYSA-N 425.248 2.203 0 40 IEAB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 3531351 IXVDSWFQJHMSMF-CQSZACIVSA-N 445.522 2.061 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCCCC(=O)c2ccc(F)cc2)cc1 8825389 OXEKTUCBXKNWME-UHFFFAOYSA-N 436.461 2.269 0 40 IEAB COc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccc(C(N)=O)cc3)CC2)c(OC)c1 9071265 ZZDUMWIUISBFJX-UHFFFAOYSA-N 440.500 2.092 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)c1ccc(Br)cc1 9466238 DARDOUAKCCZMRY-KRWDZBQOSA-N 433.302 2.470 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@@H]3c3cccs3)CC2)cc1 10277210 GPXTXLXSRSMTHO-LJQANCHMSA-N 449.598 2.427 0 40 IEAB Cc1noc(C)c1S(=O)(=O)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 11795936 KLCLQTLAMNDMAT-OAHLLOKOSA-N 436.515 2.315 0 40 IEAB C[C@H](C(=O)NCc1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 12472608 JDXIMKUIRHVGCG-GFCCVEGCSA-N 441.488 2.315 0 40 IEAB C[C@H](NC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)c1ccc(-n2cncn2)cc1 12697303 LITWWZMDUFCHCQ-BXKMTCNYSA-N 446.511 2.388 0 40 IEAB CCOc1ccc(C(=O)NCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1OCC 13108049 SYGWEXWIUICHCK-UHFFFAOYSA-N 440.452 2.053 0 40 IEAB COc1ccc(OC)c(-c2csc(NC(=O)C3CCN(S(C)(=O)=O)CC3)n2)c1 13704880 GLWZNWPQFLMFNQ-UHFFFAOYSA-N 425.532 2.437 0 40 IEAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 14023118 VUPSJHYAKJHRAP-OCCSQVGLSA-N 440.616 2.391 0 40 IEAB COc1ccc(C[C@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(F)c3)C2=O)cc1OC 15552781 CIPCQACCVNVAIB-NRFANRHFSA-N 433.411 2.474 0 40 IEAB COc1ccc([C@@H](CNC(=O)c2ccc(CS(C)(=O)=O)cc2)N2CCOCC2)cc1 15996467 ZTGPTLXOBIYBMB-OAQYLSRUSA-N 432.542 2.043 0 40 IEAB Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccccc3NS(C)(=O)=O)n2)cc1 16046910 FWIBDWFYWJIFLZ-UHFFFAOYSA-N 428.474 2.234 0 40 IEAB COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)N2CCOCC2)cc1 19236471 NSODHZGBSBGAST-JOCHJYFZSA-N 446.511 2.302 0 40 IEAB Cc1nc([C@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)ncc1C(=O)Nc1ccccc1F 19758055 FAEWOWVBOFLESX-AWEZNQCLSA-N 444.492 2.088 0 40 IEAB Cc1nc([C@@H]2CCCCN2C(=O)CCC(N)=O)ncc1C(=O)NCc1ccc(F)cc1 19764976 SHKWYJIVROWFFW-SFHVURJKSA-N 427.480 2.173 0 40 IEAB CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 26110217 SOCRZORZMRISJF-OAHLLOKOSA-N 434.389 2.309 0 40 IEAB COc1ccc2c(ccn2CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 32075056 AVNJOMVCEDBEEI-UHFFFAOYSA-N 431.489 2.322 0 40 IEAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N[C@@H]3CCC[C@@H](OCC(F)(F)F)C3)cnc21 32402087 ADZQNDGISABKTJ-CHWSQXEVSA-N 428.411 2.115 0 40 IEAB O=C(C[C@@H]1CCS(=O)(=O)C1)OCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 32837676 HDIMKTAXVJKDHQ-AWEZNQCLSA-N 430.457 2.393 0 40 IEAB COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C 36472198 JDPKIRWDZFRCTG-ULQDDVLXSA-N 439.553 2.034 0 40 IEAB COc1cccc(-c2noc(Cn3cnc4c(nnn4Cc4ccc(C)cc4)c3=O)n2)c1 38486669 CQTLBFVMHAYFKR-UHFFFAOYSA-N 429.440 2.452 0 40 IEAB CC(C)(C)OC(=O)N1CCC(NC(=O)CNC(=O)c2ccc(Br)o2)CC1 40158505 XOYOAGPYLMHHPE-UHFFFAOYSA-N 430.299 2.288 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 59934829 YZIYNNJQTSZYBE-KRWDZBQOSA-N 427.526 2.417 0 40 IEAB COc1cccc(CNC(=O)Cn2cnc3nc(N4CCC[C@@H](C)C4)sc3c2=O)c1 67226267 CUDBEPRYSSIZDN-CQSZACIVSA-N 427.530 2.414 0 40 IEAB Cc1noc(C)c1CN1CCN(C[C@@H](CC(=O)NCc2ccccc2Cl)C(=O)O)CC1 71285831 OCIQTCTZPLDYBC-GOSISDBHSA-N 448.951 2.470 0 40 IEAB C[C@H](C(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1)N1C(=O)NC(C)(C)C1=O 72344987 DYAQYBLCFDDQHJ-OAHLLOKOSA-N 446.511 2.484 0 40 IEAB CS(=O)(=O)c1snnc1C1CCN(Cc2cn(CCC(N)=O)c3ccccc23)CC1 72392486 VCAGMAFFTHUUNN-UHFFFAOYSA-N 447.586 2.151 0 40 IEAB COc1ccc(CCn2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccc3c2=O)cc1 79491249 NPLUJBNRTHEZCX-KRWDZBQOSA-N 440.521 2.170 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 95469733 NAGIMPIZDRZLJR-FQEVSTJZSA-N 446.573 2.352 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96103384 MQGOEBUSKXFHPK-FQEVSTJZSA-N 448.566 2.160 0 40 IEAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(O)[nH]c(=O)n(CCC2=CCCCC2)c1=O 101412904 AMKJDQDFZJLNST-QGZVFWFLSA-N 428.441 2.410 0 40 IEAB COc1ccc(OC)c(N([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)c1 220210014 DLULABCWSLJCNC-QGZVFWFLSA-N 447.557 2.207 0 40 IEAB O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3cccs3)no2)s1)c1ccccc1 222866580 IYNOHRSNVKWJKC-UHFFFAOYSA-N 448.511 2.380 0 40 IEAB COc1ccc([C@H](CC(=O)N2CCN(c3ccccc3OC)CC2)NS(C)(=O)=O)cc1 225957076 IYTRJXVPTMTLMY-IBGZPJMESA-N 447.557 2.033 0 40 IEAB COc1ccc(C)c(NC(=O)CN2[C@H](C(=O)O)C[C@H](NC(C)=O)[C@@H]2c2ccccc2)c1 257310844 UGWRGWGDILYUQA-ONTIZHBOSA-N 425.485 2.347 0 40 IEAB Cc1noc(CCCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)n1 524733726 KOSWWORUGUGMJW-NRFANRHFSA-N 431.452 2.242 0 40 IEAB Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cn(C)c2c(cnn2C)c1=O 553199274 VEJGMSGIFZPSKT-SFHVURJKSA-N 445.527 2.476 0 40 IEAB COCCc1nccc(C[C@@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2C(F)(F)F)n1 604382669 YIKMLBDCYOJWSY-HNBVOPMISA-N 439.478 2.375 0 40 IEAB biogenic,in-vitro O=S(=O)(c1ccccc1Br)N1CCCc2cnc(N3CCOCC3)nc21 667407082 DGHRNXDDKZWHMR-UHFFFAOYSA-N 439.335 2.217 0 40 IEAB CN1C(=O)[C@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2ccc(Cl)cc2)C1=S 662342 PICIUYXLYXMEFL-KRWDZBQOSA-N 444.944 2.161 0 40 IEAB CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Cl)cc1 727074 PHWYAVNMEXMKCF-ZDUSSCGKSA-N 438.937 2.265 0 40 IEAB COc1cc(S(=O)(=O)N(Cc2ccccc2)C[C@H]2CCCO2)ccc1-n1cnnn1 934085 UYQMKEDBDIAKKZ-QGZVFWFLSA-N 429.502 2.041 0 40 IEAB C[C@@H]1CCCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 3216198 AKPBKHAAXWAFOL-CYBMUJFWSA-N 431.352 2.342 0 40 IEAB O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCc1ccccc1 3285709 LNHZIXXIDAJAQR-UHFFFAOYSA-N 428.466 2.231 0 40 IEAB O=C(CCc1nc2ccccc2s1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3316617 FOVGTDXCTTYTAJ-UHFFFAOYSA-N 427.482 2.350 0 40 IEAB Cc1cc(C)n2nc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)nc2n1 3360221 YXYFQPLYUQZESZ-UHFFFAOYSA-N 429.487 2.251 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(=O)n(C)c1=O 3443778 CUUAAYSLWXKQTE-GFCCVEGCSA-N 433.530 2.011 0 40 IEAB COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1OC 3593502 HSCZUHZGSNOIAT-OAQYLSRUSA-N 431.876 2.441 0 40 IEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N(C)Cc1nc3ccccc3c(=O)[nH]1)C2=O 8965517 IZIYRWYHQVRMHC-QKFKETGDSA-N 439.516 2.018 0 40 IEAB O=C(Cn1c(=O)oc2ccccc21)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 9477696 ISVDZMYKNQIGKL-UHFFFAOYSA-N 442.431 2.121 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)ccc1C 9507722 DSWFYFZSMJAEIK-UHFFFAOYSA-N 439.559 2.186 0 40 IEAB COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cc3ccccc3o2)CC1 9570184 OXMPPDUGGCWKJR-UHFFFAOYSA-N 443.525 2.323 0 40 IEAB COC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)cc4)c(-c4ccccc4)cn23)n(C)c1=O 9713242 BLJOMBSFZRKOKA-UHFFFAOYSA-N 443.463 2.287 0 40 IEAB CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nnnn3Cc3cccs3)ccc21 9740905 HMZDMWNNTJXWST-UHFFFAOYSA-N 449.583 2.470 0 40 IEAB Cc1cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 9885037 XVNXEIORBCZEFC-UHFFFAOYSA-N 449.511 2.405 0 40 IEAB C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 10344893 CPYIHLPJYUQXKV-RISCZKNCSA-N 444.579 2.415 0 40 IEAB COc1cccc(NC(=O)COc2ccc(C(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)cc2)c1 10787454 ZESXICVDWDTDFH-LJQANCHMSA-N 443.456 2.089 0 40 IEAB Cc1nc(-c2ccc(CCNC(=O)Cn3nnn(-c4cccs4)c3=O)cc2)cs1 12795273 IIXDJLSPXHDYBB-UHFFFAOYSA-N 426.527 2.281 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2cc3cc(N(C)S(C)(=O)=O)ccc3s2)CC1 13609824 LUTACXNYHPPLRI-UHFFFAOYSA-N 425.532 2.211 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1C 13667906 ORMPMZDMKAZIQP-UHFFFAOYSA-N 434.470 2.305 0 40 IEAB Cc1cccc(NC(=O)Cc2nc(-c3c(N)n(CC(C)C)c(=O)n(C)c3=O)cs2)c1 14202393 ZSSMKISMXAKQPT-UHFFFAOYSA-N 427.530 2.398 0 40 IEAB O=C(NC[C@@H]1CCCO1)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O 17057713 UDJZEDOQUIYFFJ-KKSFZXQISA-N 432.480 2.250 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C)CCc1ccccc1 18115737 LSJJBVBTMLMDDK-KRWDZBQOSA-N 432.542 2.467 0 40 IEAB COc1ccccc1CN1CCc2c(nc([C@@H]3CCN(C(=O)c4cccnc4)C3)[nH]c2=O)C1 19570689 GKRBWSALCPXPRP-LJQANCHMSA-N 445.523 2.362 0 40 IEAB Cn1c(=O)c2ccc([C@H]3CCCN(c4cnccn4)C3)nc2n(Cc2ccccc2)c1=O 19743078 QXLSJIFPNFYFQA-SFHVURJKSA-N 428.496 2.318 0 40 IEAB O=C(NCc1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCN(C3CCCC3)CC2)c1 19751394 LHAMGNHNMWUZJF-UHFFFAOYSA-N 440.519 2.004 0 40 IEAB COc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2Cl)cc1S(N)(=O)=O 32922295 JZDVSIXSXTZJMQ-HNNXBMFYSA-N 425.894 2.202 0 40 IEAB Cc1oc(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc1S(=O)(=O)N1CCCC1 48234843 UQBPZSGTTMMLMQ-LJQANCHMSA-N 447.557 2.176 0 40 IEAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)cc1 48332959 AARJIHLMWLXHSI-INIZCTEOSA-N 446.507 2.468 0 40 IEAB CCN(Cc1ccccc1)C(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O 49409282 YHVFPFAOPUQASL-UHFFFAOYSA-N 431.558 2.462 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)cc1 59374057 RPJXMSAXRJNFMH-AWEZNQCLSA-N 434.518 2.191 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1cccc(F)c1 67287237 NCLOXHOSPVNJIO-BEFAXECRSA-N 433.480 2.272 0 40 IEAB COc1ccc(NC(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)cc1 71328389 JQRBSTIUGGQOIZ-UHFFFAOYSA-N 449.423 2.439 0 40 IEAB COc1ccc2c(c1)NC1(CCN(C(=O)C[C@H]3C[C@H](C(C)=O)C3(C)C)CC1)NS2(=O)=O 72327966 RUIVRYHMRGEATE-NVXWUHKLSA-N 449.573 2.359 0 40 IEAB Cc1cc(-c2cnc(N3CCC(C(N)=O)CC3)nc2-c2ccc(N3CCOCC3)nc2)on1 72336998 QNUNJSRABVEQKY-UHFFFAOYSA-N 449.515 2.040 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(Cc4ccccn4)CC3)O2)cc1 96036699 NVESNHBTKSILBI-QFIPXVFZSA-N 447.539 2.493 0 40 IEAB CC(=O)CN1CC2(CCN(C(=O)NCC(C)C)CC2)COc2ccccc2S1(=O)=O 96145212 GKYWDGLUEBWJMV-UHFFFAOYSA-N 437.562 2.107 0 40 IEAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCC(=O)N[C@@H](Cc1ccccc1)C(C)=O)(C3)C2 101810941 ATXJQVXAQZGLQF-VDASNVSRSA-N 440.540 2.321 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1=O 105577980 SJVGVPBNETUUHP-GAJHUEQPSA-N 425.485 2.368 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2ccccc2Cl)S(C)(=O)=O)c(OC)c1 223654307 YPVPFSLMXSDSIH-UHFFFAOYSA-N 442.921 2.318 0 40 IEAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 223845596 ZNDLOMQGGXTSDM-UHFFFAOYSA-N 431.514 2.163 0 40 IEAB Cc1ccc2c(c1)O[C@@H](C(=O)Nc1ccc3c(c1)sc(=O)n3C)CN2S(C)(=O)=O 225054256 NMLABUOKVAHMDB-MRXNPFEDSA-N 433.511 2.074 0 40 IEAB CN([C@@H](C(=O)NCc1ccccc1CN1CCCC1=O)c1ccccc1)S(C)(=O)=O 225316607 MIWLUCJAGCEQMN-OAQYLSRUSA-N 429.542 2.058 0 40 IEAB CC(=O)O[C@@H]1C[C@H]2[C@H](O)[C@@]3(C(=O)[C@@H]2C)[C@@H]1[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O 245239632 LGRQSRYHHCUXCE-GJMDAAKCSA-N 436.545 2.259 0 40 IEAB O=C(c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)CCc2ccncc2)C1)N1CCCCC1 257272192 NBJZHZIDFRIBHI-GOSISDBHSA-N 431.562 2.183 0 40 IEAB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CCN2CCOCC2)C1)C1CCCCC1 257290958 QFARGVNYSZHJFM-SFHVURJKSA-N 431.581 2.243 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3n[nH]c4ccc(C)cc34)CCN2C)cc1C 257322978 WIHCNWYOUDWEEH-OAQYLSRUSA-N 449.555 2.303 0 40 IEAB CN(CC(=O)N1CC[C@]2(CCN(Cc3ccccc3)C2)C1)S(=O)(=O)c1ccccc1 557116603 BANHNVCWOQGKDV-QHCPKHFHSA-N 427.570 2.432 0 40 IEAB CN(C)CCN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1=O 585107019 OJZIKLNMDMVCCO-DHLKQENFSA-N 439.531 2.153 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC2(c3ccsc3)CCOCC2)cc1 952989805 NQCFCWIPQFWUEV-UHFFFAOYSA-N 434.539 2.428 0 40 IEAB COc1cccc(-n2c(S)nc(O)c([C@H]3NCCc4cc(OC)c(OC)cc43)c2=O)c1 1252845 QXOOLLDZRIVZJF-IBGZPJMESA-N 441.509 2.488 0 40 IEAB Cc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)C(=O)[C@]1(C)CC(=O)N=C2C=CC=CN21 4388611 CWJPKDMBHZFZRP-UUOWRZLLSA-N 436.512 2.096 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1 8595631 YVYRWEZCEIMWHE-OAHLLOKOSA-N 446.554 2.417 0 40 IEAB CSCC[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccco1 9487562 CAZBQTMLFOBDEB-FIKGOQFSSA-N 445.566 2.404 0 40 IEAB biogenic Cc1cc(C)c(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(F)c(F)c2F)c(C)c1 9633834 MBCVNONTEVIGJK-UHFFFAOYSA-N 444.431 2.489 0 40 IEAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@H]1c1ccccc1OC 9969300 PUZRSAUOIMKQIC-IBGZPJMESA-N 448.472 2.479 0 40 IEAB CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 10441813 GMWYNXBXOWSRGT-UHFFFAOYSA-N 448.497 2.145 0 40 IEAB CS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)cc1 12222716 PHFYVACGSSXPOU-UHFFFAOYSA-N 427.526 2.036 0 40 IEAB COc1ccc(NC(=O)CCn2c(C)csc2=O)cc1S(=O)(=O)N1CCCCC1 12685304 XHCBXAZLHIMAEY-UHFFFAOYSA-N 439.559 2.430 0 40 IEAB Cc1c(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)oc2ccccc12 12746015 NJSLLYVGXMDDQL-QFIPXVFZSA-N 430.424 2.367 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cccc(OC(F)F)c1 12809543 PENVZZBTMSOWLY-UHFFFAOYSA-N 426.441 2.239 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2ccc(F)cc2)C1 19692473 PUXYCUDGTFSIRF-SFHVURJKSA-N 437.541 2.309 0 40 IEAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)nc2c1CC(=O)N2C 19739798 QOKURJTYJGJSTI-INIZCTEOSA-N 435.484 2.391 0 40 IEAB O=C(NCCO)c1cc([C@@H]2CN(C(=O)c3cc(C4CC4)on3)CCO2)nc2ccccc12 19759796 SEKKJKNJSGOEGT-NRFANRHFSA-N 436.468 2.036 0 40 IEAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 20560202 FWLVYDWVDRHVLE-FQEVSTJZSA-N 429.517 2.441 0 40 IEAB COCCN1C(=O)N=C(O)[C@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O 20567650 XNAGHJADFQNGEY-PXDATVDWSA-N 448.523 2.485 0 40 IEAB CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 27914593 NCFQLQXSEQXODN-UHFFFAOYSA-N 447.513 2.034 0 40 IEAB COc1ccc(C(=O)Nc2ccc(I)cc2)cc1S(N)(=O)=O 29652590 RRLVVDGWZAMQJT-UHFFFAOYSA-N 432.239 2.200 0 40 IEAB CCOc1ccc(CN(C(=O)[C@H]2COc3ccccc3O2)[C@@H]2CCS(=O)(=O)C2)cc1 32594229 FHXHTJPWRPLGBQ-DYESRHJHSA-N 431.510 2.441 0 40 IEAB COc1ccc(-c2nc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)sc2C)cc1 32778312 LIWBPEWTNBEPOK-UHFFFAOYSA-N 437.481 2.325 0 40 IEAB COc1ccccc1[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1nccn1C 32905107 OIAAUAPRKXEXFU-LIRRHRJNSA-N 446.504 2.140 0 40 IEAB CC1CCN(C(=O)Cn2c(=O)/c(=C/c3ccsc3)s/c2=C\C(=O)C(C)(C)C)CC1 33555267 BBBLBGDZHKVRCH-FBGJVIMFSA-N 432.611 2.454 0 40 IEAB O=C(CN1CCC2(CC1)Nc1ccccc1C1=NCCN12)Nc1ccc2c(c1)OCCO2 72327103 NGKMHOMNXFUBCI-UHFFFAOYSA-N 433.512 2.376 0 40 IEAB CCn1ncc(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NC4CCCC4)[nH]n3)C2)c1C 72380702 IRYTUQQDCYPSRI-HNNXBMFYSA-N 434.566 2.175 0 40 IEAB COc1cc2c3cnn(CN4CCN(c5ccccn5)CC4)c(=O)c3n(C)c2cc1OC 79489287 HLTTZAKYFXTRCJ-UHFFFAOYSA-N 434.500 2.080 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)cc1 83843730 SFHXBTFGEWTNRY-SVFBPWRDSA-N 430.574 2.264 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CN4CCC3CC4)cc2)cc1C 95466328 PHVFIMLCLWCTFZ-OAQYLSRUSA-N 449.598 2.477 0 40 IEAB CN(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CN3CCOCC3)CC2)n1 100152699 CIYCXKYXHIILFQ-KDURUIRLSA-N 438.576 2.327 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 111909589 BWVYKJSCTRUJSE-CFINBHSISA-N 425.897 2.457 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224350332 XNEMKBAUQRLIBJ-UHFFFAOYSA-N 442.534 2.276 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1ccc(C(N)=O)cc1 225381280 LLUQULAAYPLJLW-UHFFFAOYSA-N 431.514 2.150 0 40 IEAB O=C1CCc2cc(S(=O)(=O)NC[C@@](O)(c3ccco3)c3cccs3)cc3c2N1CC3 225590361 NTTZAOQQJXHZLL-OAQYLSRUSA-N 444.534 2.391 0 40 IEAB C[C@@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NCCN3CCOCC3)n2)C1 225905519 KDFUQPDIKDIZCQ-CYBMUJFWSA-N 432.516 2.350 0 40 IEAB CC(=O)N[C@@]12CN(C)CC[C@@H]1[C@@H](c1ccccc1)N(CC(=O)Nc1ccnn1C(C)C)C2 257286129 PKKUCPUQAAZGOM-AGILITTLSA-N 438.576 2.286 0 40 IEAB O=C1NC(=O)C2(CCN(C(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)CC2)N1 648411252 INBQPOXYEBRPSK-UHFFFAOYSA-N 429.480 2.413 0 40 IEAB Cc1cnnn1-c1ccc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 1530180386 LVSSJQCFFAUPHJ-UHFFFAOYSA-N 425.514 2.058 0 40 IEAB CN1CC2(C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(Br)s2)OCC1=O 1888928919 BSBLRUGZJNAVRN-YWXMQNBFSA-N 435.365 2.054 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)c5ccccc5Cl)C[C@H]4C3)nn12 1888930420 CDQHZKFKCSPHEY-OKILXGFUSA-N 432.937 2.097 0 40 IEAB Cc1ccc(Cn2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cnn(C)c4)C3)cn2)cc1 2806586 CJAXKHLGWYIQOC-SFHVURJKSA-N 442.545 2.013 0 40 IEAB CN(c1nc2ccccc2nc1NS(=O)(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 9090284 QGEZAOGPXYWJLI-LBPRGKRZSA-N 438.556 2.115 0 40 IEAB CN(C(=O)CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 9252943 OTBAOZQVCYMXDE-UGMNDJHYSA-N 428.919 2.022 0 40 IEAB O=C1COc2ccc(C(=O)COC(=O)CCS(=O)(=O)c3ccccc3Cl)cc2N1 9662320 XYQJHPWEQFTDTO-UHFFFAOYSA-N 437.857 2.261 0 40 IEAB O=S(=O)(Nc1nc2ccccc2nc1N1CCOCC1)c1ccc2c(c1)OCCO2 9664437 SIBMXYCSXOHGDK-UHFFFAOYSA-N 428.470 2.038 0 40 IEAB O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)NCc1ccccc1Cl 9857516 DGZXDFBVARGOLV-UHFFFAOYSA-N 426.839 2.145 0 40 IEAB CCc1cccc(OC[C@@H](O)Cn2c(NCc3ccccc3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385178 YCRVABCULYKGFL-SFHVURJKSA-N 449.511 2.038 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCNC(=O)c3ccccc3)CC2)cc1 10999978 QPYFJXYBIBBXIL-UHFFFAOYSA-N 429.542 2.038 0 40 IEAB C[C@H](Sc1nncn1CCc1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 11106405 QMAOBAGMTBOJNA-LBPRGKRZSA-N 437.572 2.349 0 40 IEAB CCc1ccc([C@@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N(C)C)cc1 11998220 XOBOGQPTQVRJCJ-HXUWFJFHSA-N 429.542 2.348 0 40 IEAB Cc1ccc(S(=O)(=O)[C@H](C)C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 12338421 XBOQEFTYYFEUMS-CQSZACIVSA-N 429.947 2.401 0 40 IEAB CC(C)CCNC(=O)[C@@H](c1ccncc1)N(CCCO)C(=O)[C@@H]1COc2ccccc2O1 12471778 FVOFXSUWXMSIPO-FCHUYYIVSA-N 441.528 2.336 0 40 IEAB C[C@H]1CN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C[C@@H](C)O1 12549437 JCUBVOUBMKUTAV-CEXWTWQISA-N 445.585 2.170 0 40 IEAB COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1 13135768 MRIFOKYGWLMXGX-UHFFFAOYSA-N 429.498 2.379 0 40 IEAB Cc1ccc(-n2nnnc2SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 13414997 QOFQSKXFZLQGRX-SFHVURJKSA-N 436.497 2.356 0 40 IEAB COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)N(C)c1ccccc1 13690352 IBTHLOLWCIPHAN-UHFFFAOYSA-N 438.527 2.223 0 40 IEAB C[C@H]1Oc2ccccc2N(CC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)C1=O 14711234 DPTACMWNURKYNK-UZLBHIALSA-N 427.476 2.129 0 40 IEAB C[C@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 16772672 QQVZSQVZKPKZCZ-NSHDSACASA-N 430.848 2.200 0 40 IEAB Cn1cc(C(=O)N2CCN(Cc3ccccn3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 16839082 PBWPLCIDOGCICG-UHFFFAOYSA-N 428.496 2.029 0 40 IEAB COc1ccccc1C(=O)N1C[C@@H](C(=O)NC(C)(C)C)[C@@]2(Cc3ccccc3C(=O)N2)C1 19082995 UNVSJFVURCUXIE-UQBPGWFLSA-N 435.524 2.407 0 40 IEAB Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)CCn4cnnn4)C3)cc2)cc1 19212380 CFZNNQWNFNBNBZ-XMMPIXPASA-N 432.528 2.375 0 40 IEAB COCc1ccc(C(=O)N2CCO[C@@H](c3nc(N(C)C)ncc3-c3cncnc3)C2)cc1 19692646 FQNAEXMWJINNCO-HXUWFJFHSA-N 434.500 2.360 0 40 IEAB Cc1nc([C@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2CCc1ccccc1 19740417 XKCHXEKWLDHQLT-LJQANCHMSA-N 443.573 2.250 0 40 IEAB Cc1cccc2cc(CN(CCN3CCOCC3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c12 19822726 LANVQZWYXUVWRI-HXUWFJFHSA-N 444.601 2.024 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 22227896 LEWIPIUQSUKVCM-UHFFFAOYSA-N 438.571 2.391 0 40 IEAB CCOc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(C(N)=O)CC2)cc1OC 22627597 LYXGAPMKYAXRKN-KRWDZBQOSA-N 445.545 2.499 0 40 IEAB C[C@H](Oc1ccccc1)C(=O)N1CCN(Cc2nnnn2-c2ccc(F)c(F)c2)CC1 23134760 CYGJLXMVADEAEQ-HNNXBMFYSA-N 428.443 2.052 0 40 IEAB Cn1c(=O)c2c(ncn2CCOC(=O)c2ccc(-c3ccc(F)cc3)s2)n(C)c1=O 24283659 XYXZHFIDZUPKGI-UHFFFAOYSA-N 428.445 2.158 0 40 IEAB CCN(CC)C(=O)N1CCN(C(=O)CSc2nnc(C)n2Cc2ccccc2)CC1 26928852 CJVUHLKGBZADPV-UHFFFAOYSA-N 430.578 2.333 0 40 IEAB COc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 27663066 RRNQAMSOHUUFOP-GFCCVEGCSA-N 434.539 2.415 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc2c(c1)OCO2 30861932 DIWXDKBOCMQVSZ-UHFFFAOYSA-N 442.497 2.074 0 40 IEAB CN(C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 32780643 TZRCPCXKBWEYGC-CRAIPNDOSA-N 445.566 2.216 0 40 IEAB Cc1nn(C)c2ncc(NC(=O)c3cccc(S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)c3)cc12 32899785 JVBOENDDPUURNT-OKILXGFUSA-N 443.529 2.327 0 40 IEAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC[C@@H](c2nnc3ccccn23)C1 32904380 LTPUSNPXCWCMBM-GOSISDBHSA-N 444.495 2.385 0 40 IEAB COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)NC2=O)cc1 35432495 VMRPLEMEWYHTOS-UHFFFAOYSA-N 433.917 2.449 0 40 IEAB O=C(CCCN1CCCC1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 40158584 DETCRKOUJJVTRS-UHFFFAOYSA-N 433.496 2.414 0 40 IEAB CCc1nc(-c2ccc(N3CCN(C(=O)[C@H]4CC(=O)N(c5ccccc5)C4)CC3)nc2)no1 44094687 XFHODDYVGHYLOZ-SFHVURJKSA-N 446.511 2.396 0 40 IEAB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(N2CCOCC2)cc1 44946529 OGZMJSADDUYDES-UHFFFAOYSA-N 433.530 2.471 0 40 IEAB Cc1cccc(OCCNC(=O)[C@H](C)N2CCN(Cc3nnc4n3CCCCC4)CC2)c1 48260565 FKVIXUPPGXJCSE-FQEVSTJZSA-N 440.592 2.014 0 40 IEAB Cc1c(CCC(=O)NCc2ccnc(Oc3ccccc3)c2)c(=O)[nH]c2c1c(=O)[nH]n2C 48333156 WPVAKZAFZWOWEO-UHFFFAOYSA-N 433.468 2.300 0 40 IEAB COc1ccc(Cl)cc1NC(=O)Cn1cc(S(=O)(=O)N2CCCCC2)ccc1=O 49410477 PWPSBZXXQAPOHI-UHFFFAOYSA-N 439.921 2.324 0 40 IEAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCCCN1CCc2ccccc2C1 70005868 QMSTUJBKXSAZAY-XMMPIXPASA-N 446.551 2.027 0 40 IEAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@@H](C)C(=O)NC3CCCCC3)CC1)NC2=O 72327467 JTCRXZZNYQGLCR-NPMXOYFQSA-N 429.517 2.364 0 40 IEAB COc1ccc(CN2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccccc4C(=O)N3)C2)c(F)c1 72334366 LFKBJGWLKJJIFG-YKSBVNFPSA-N 425.504 2.469 0 40 IEAB CC[C@@]1(C)NC(=O)N(NC(=O)CN2C[C@H](C)Oc3cc(C)c(Br)cc32)C1=O 79051265 DJTMULIZBKBPEN-BBATYDOGSA-N 439.310 2.097 0 40 IEAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 95482527 KATFWDYCFVNGHQ-IBGZPJMESA-N 445.585 2.437 0 40 IEAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4ccnnc4)CC3)c3ccccc32)CC1 96052956 POEPLUHWAMFGJV-FQEVSTJZSA-N 433.556 2.302 0 40 IEAB O=C(NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O)C1=COCCO1 96594315 BTAIJTYMNQOSED-NTEUORMPSA-N 426.397 2.329 0 40 IEAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 101590167 SXAWMYQDSKGJHW-XRXFAXGQSA-N 447.422 2.348 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)CCCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)n2)cc1 102785318 BUBZZKQOTABBEY-QZTJIDSGSA-N 438.484 2.435 0 40 IEAB COc1cc(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)cc(OC)c1 104669978 CZIINAMBNDDHEA-COJSNBRMSA-N 429.473 2.258 0 40 IEAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222819509 ISAIGQICAHRILS-HNNXBMFYSA-N 431.986 2.255 0 40 IEAB CS(=O)(=O)N(CCCC(=O)NCCOCc1ccccc1)c1ccc2c(c1)OCO2 224116348 XXQRTNNUTRXNAD-UHFFFAOYSA-N 434.514 2.295 0 40 IEAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 245285412 XDFGTOZNSFXOJX-SIKLNZKXSA-N 441.553 2.492 0 40 IEAB CNC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2ccnn2C)c1 257335102 YIRHJOHBOVSHMJ-GOSISDBHSA-N 427.505 2.214 0 40 IEAB Cc1cc(C)cc(CN2CC[C@]3(Cc4nn(Cc5csc(C)n5)c(=O)c(=O)n4C3)C2)c1 306132589 LMZYMXAYPAPSCO-QHCPKHFHSA-N 437.569 2.283 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 409256826 NQQGIHIZAAZNAG-UHFFFAOYSA-N 433.530 2.084 0 40 IEAB COc1cccc(OC[C@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)c1 585271429 FQASGTIIDMMYGA-OAQYLSRUSA-N 430.545 2.278 0 40 IEAB CCCCc1ccc(CNC[C@]2(O)CN(S(=O)(=O)c3ccccc3)CC[C@H]2O)cc1 585290973 YNKXQJZKHXXNRN-PKTZIBPZSA-N 432.586 2.305 0 40 IEAB CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[C@@H](F)C2)CCO1 1541080128 ONEKCCXONGNGDY-MISYRCLQSA-N 433.503 2.488 0 40 IEAB Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1 931291 OZUNGBYSJXSUNA-UHFFFAOYSA-N 449.602 2.371 0 40 IEAB CCN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3433737 CXOQFFMUJCWXKC-UHFFFAOYSA-N 430.526 2.459 0 40 IEAB Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NC[C@@H]1CCCO1 8661425 OBDKFBDTOKTNJB-KRWDZBQOSA-N 427.526 2.185 0 40 IEAB Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n[nH]2)c1 8845325 MJFIGJUTBLZLEI-UHFFFAOYSA-N 442.497 2.364 0 40 IEAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)o1 9373086 WKKKQSAKEGYORJ-OAHLLOKOSA-N 436.486 2.101 0 40 IEAB O=C(CNc1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(N2CCCC2)cc1 9639044 IWMQWTXJTWXYLR-UHFFFAOYSA-N 444.557 2.358 0 40 IEAB CCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CC[C@@H](CC)C3)c(=O)[nH]c1=O 9956476 ZTLSISRXYPXTDN-CYBMUJFWSA-N 434.562 2.398 0 40 IEAB COc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(C)cc2)CC1 11665789 DXTAGMMBTBWOPN-UHFFFAOYSA-N 429.484 2.490 0 40 IEAB C[C@H](Sc1ncnc2sc3c(c12)CC[C@@H](C)C3)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 13108540 FUSMZHSAXNALSB-ZJUUUORDSA-N 445.570 2.159 0 40 IEAB COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 13370625 CNDBNNPDZZIERP-UZUMKDMXSA-N 448.928 2.423 0 40 IEAB COc1ccc(S(=O)(=O)Nc2nc3ccc(C(=O)N4CCN(C)CC4)cc3s2)cc1 13689294 ALNMRJLQJIGODF-UHFFFAOYSA-N 446.554 2.493 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc2c(c1)OCO2 14400000 PHOVHGVMWYOBLA-UHFFFAOYSA-N 426.516 2.214 0 40 IEAB Cc1ccc([C@@H](C)NC(=O)CN2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C 15104821 ZHEMWXAQIKBQBB-MRXNPFEDSA-N 434.562 2.092 0 40 IEAB COc1ccc(CNC(=O)CN2CCCN(Cc3cccc(Cl)c3)S2(=O)=O)cc1 15770652 GYRMVQRKFXPLDX-UHFFFAOYSA-N 437.949 2.418 0 40 IEAB CN1C(=O)/C(=C2\SC(=O)N(CN3CCOCC3)C2=O)c2cc(Br)ccc21 17142232 NGRJQWUJGSOENH-YPKPFQOOSA-N 438.303 2.122 0 40 IEAB COc1nn(CC(=O)N2CCC(c3nnc4n3CCCCC4)CC2)c(=O)c2ccccc12 19594887 JLJFKLAHDKHCAD-UHFFFAOYSA-N 436.516 2.129 0 40 IEAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 19695344 ZCTVDYQFWQIJLR-UHFFFAOYSA-N 448.527 2.332 0 40 IEAB Cn1cc2c(n1)[C@@H](C(=O)NCc1ccccn1)CN(C(=O)Cc1c[nH]c3ccccc13)C2 19696103 IKLTTZYRELWXFI-FQEVSTJZSA-N 428.496 2.281 0 40 IEAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2S(=O)(=O)N(C)C)nc1C 19753437 LQPDHRMSKREWBD-QGZVFWFLSA-N 433.534 2.379 0 40 IEAB O=C(NCc1ccc(F)cc1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 21150577 XWBOOELBSQVWBU-UHFFFAOYSA-N 429.887 2.482 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cnc4c(c3)c(C)nn4C)CC2)cc1 32899713 VKIJXEPZSIWGTF-UHFFFAOYSA-N 427.530 2.122 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)Cn3ncc(Cl)c(Cl)c3=O)CC2)c(F)c1 32909617 SYEKAROVMNEWJZ-UHFFFAOYSA-N 427.263 2.241 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1N1CCc2ccccc2C1 36592978 XYVHLQSJMNANEA-WIYYLYMNSA-N 435.567 2.001 0 40 IEAB Cc1cc(C)c2cc(C(=O)O[C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 39536209 ZWMUDJARZWONQI-HNNXBMFYSA-N 443.525 2.336 0 40 IEAB Cc1ccc2c(c1)N(C(=O)Cn1cccc(S(=O)(=O)N3CCC(C)CC3)c1=O)CCO2 49409120 HJEKZCMHFIAWEV-UHFFFAOYSA-N 445.541 2.003 0 40 IEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOc3ccccc32)cc1 58005350 KGPILXVXUWZUDA-HXUWFJFHSA-N 448.541 2.224 0 40 IEAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 72284246 VPLXUYHDNQCUAV-LBPRGKRZSA-N 439.896 2.138 0 40 IEAB CNc1cc([C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)nc(CN(C)C(C)=O)n1 72370133 JQZQDSUIGDVZRZ-MRXNPFEDSA-N 447.561 2.074 0 40 IEAB CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCc3cc(Br)ccc32)cc1 83882454 PXPBIXFDJICGLH-UHFFFAOYSA-N 445.360 2.499 0 40 IEAB O=C(NCCC(=O)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1)c1cc(F)cc(F)c1 95451342 VIGCDDDHQWKUGD-UHFFFAOYSA-N 437.393 2.348 0 40 IEAB CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4cccs4)cn23)CC1 96267385 WLVJHSUTKNQOPV-UHFFFAOYSA-N 425.558 2.141 0 40 IEAB O=C1CCCN1CCOc1cccc(C(=O)N2C[C@H](O)[C@H](Cc3cccn4nccc34)C2)c1 257292488 QLRZTFQAVHDFCU-OFNKIYASSA-N 448.523 2.011 0 40 IEAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccn(C)n3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 306124964 CDKVPTNXXUZBPW-DVECYGJZSA-N 447.543 2.251 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)NC1CCN(c2nccn3c(C)nnc23)CC1 390830723 MWJZCNFCWGLASU-UHFFFAOYSA-N 436.925 2.042 0 40 IEAB COc1cccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4)C3)CC2)c1 585288272 ZVDYTYYOJXICKA-VWLOTQADSA-N 442.556 2.169 0 40 IEAB C[C@@H](C(=O)Nc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1)n1cncn1 620475813 UIISAUXLRLLUTE-HNNXBMFYSA-N 437.485 2.464 0 40 IEAB CC(=O)N1CCCN(C)CCN(C(=O)Cn2cnc3ccccc3c2=O)Cc2ccccc21 643557317 MMJUKTPWSISFDA-UHFFFAOYSA-N 447.539 2.114 0 40 IEAB Cc1cc(C(F)(F)F)nn1CCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 1665517453 DKEYYNIHHKARFK-UHFFFAOYSA-N 435.819 2.022 0 40 IEAB Cc1ccc(CNC(=O)[C@@H]2C[C@]3(CO2)CN(Cc2ncc(C(F)(F)F)[nH]2)CCO3)cc1 2056225693 YOVGITKJNXUMRZ-OXJNMPFZSA-N 438.450 2.413 0 40 IEAB CCOC(=O)C(Cc1ccc(OC)c(OC)c1Br)(NC(C)=O)C(=O)OCC 1683606 ALUUJOBUGSMFQC-UHFFFAOYSA-N 446.294 2.010 0 40 IEAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCC(=O)NCC(=O)O)c(C)c3cc2c1C 2152455 RMECZOKKNLHPCP-UHFFFAOYSA-N 428.441 2.022 0 40 IEAB biogenic COc1cc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC 2726480 TZODBIQMBFWGJG-UHFFFAOYSA-N 448.541 2.096 0 40 IEAB CCOC(=O)Cn1c(=O)c2c(nc3n2C[C@H](C)CN3c2cc(Cl)ccc2C)n(C)c1=O 6089407 OHRMPRWDHHYHGG-GFCCVEGCSA-N 445.907 2.209 0 40 IEAB Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(=O)[C@H]2CC(=O)Nc1ccc(Cl)cc1 9114008 ZLRMNBKAUMRHEN-INIZCTEOSA-N 438.871 2.313 0 40 IEAB C[C@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccnc4)n3N)c2C(N)=O)C1 9507047 JUDYRMCAKJZBIY-JTQLQIEISA-N 443.558 2.070 0 40 IEAB Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 9588296 OHRGLDCBNFVPMR-UHFFFAOYSA-N 427.844 2.402 0 40 IEAB COc1ccc(NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cn1 9615467 RJXSCGHKSFQCIB-UHFFFAOYSA-N 441.513 2.198 0 40 IEAB C[C@@H](Sc1ccc(S(=O)(=O)N(C)C2CCCCC2)cn1)C(=O)N1CCOCC1 10199358 QXCYTPZRMHKVQB-OAHLLOKOSA-N 427.592 2.374 0 40 IEAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)[C@@H](C)Oc3ccccc3)CC2)c1 11796670 NTAAIIWBGKNXKK-HXUWFJFHSA-N 445.585 2.421 0 40 IEAB COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 12760317 BNSJKEIZGIUGAI-UHFFFAOYSA-N 442.537 2.499 0 40 IEAB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O 12978425 QVIZRVKVZYDQNN-OAQYLSRUSA-N 447.394 2.465 0 40 IEAB CC[C@H](C)N(C(=O)CSc1nnnn1-c1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 13039218 FXVLFTDCRPHDLH-HOTGVXAUSA-N 437.591 2.185 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)cc1 13592283 CBPOOYULSIEABU-WCLDSWSLSA-N 441.459 2.147 0 40 IEAB COc1ccc(OC)c(-c2ccc(N3CCN(S(=O)(=O)c4cccnc4)CC3)nn2)c1 13663107 CYENUJMINZWYEF-UHFFFAOYSA-N 441.513 2.067 0 40 IEAB O=C(CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)N[C@@H](Cc1ccccc1)C(=O)O 16478721 IGULETHZKTWAKE-PMACEKPBSA-N 440.496 2.171 0 40 IEAB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CC(=O)Nc2ccccc21 17048621 UNJZWSOWYTULNZ-ZIAGYGMSSA-N 425.416 2.096 0 40 IEAB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CC(=O)Nc2ccccc21 17048622 UNJZWSOWYTULNZ-UONOGXRCSA-N 425.416 2.096 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC([C@@H]3C[C@H](C(=O)NC(C)C)CN3C)CC2)cc1F 19449762 LCVYUFBTBAOGQV-LPHOPBHVSA-N 441.569 2.080 0 40 IEAB Cc1sc2c(C3CCN(C(=O)[C@H](C)N[C@@H]4CCS(=O)(=O)C4)CC3)nc(C)n2c1C 19561757 RVSXYXFSNVPFIZ-YVEFUNNKSA-N 438.619 2.192 0 40 IEAB COc1cc(OC)cc(OCC(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)c1 20483905 UYZKYGKZOCMUQU-UHFFFAOYSA-N 438.502 2.417 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)C1CCN(c3ccc4nnc(C)n4n3)CC1)CC2 20731707 YSZUPWWTWRQCSN-UHFFFAOYSA-N 436.516 2.251 0 40 IEAB CN1[C@@H](CCC(=O)NCc2cccs2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccccc1 22923080 WBCQSNSWTQZSHE-DWLFOUALSA-N 426.586 2.218 0 40 IEAB biogenic,in-vitro CC(=O)N[C@H](CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(Cl)cc1 32879985 NRAHJVGFFMVFLI-DYESRHJHSA-N 428.876 2.406 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(F)c2)C(=O)N3)cc1 35445359 GMHGITJDRFUMOP-UHFFFAOYSA-N 429.473 2.128 0 40 IEAB O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)n3cccn3)cc2)cc1)n1cccn1 41096043 VRYRRBREIMZPHT-UHFFFAOYSA-N 430.467 2.346 0 40 IEAB COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cn1 58660483 XDLYKKIQACFMJG-UHFFFAOYSA-N 425.489 2.245 0 40 IEAB in-vitro CSCC[C@H](NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)c1nnc2ccccn12 72296374 HUHKRMDOPIDPOW-HNNXBMFYSA-N 433.559 2.218 0 40 IEAB Cc1ccc(CCNC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)cc1 72326389 OLYDEYVINHMMBD-BXKMTCNYSA-N 435.528 2.002 0 40 IEAB CC1CCC(N2CCc3nc(C4CCN(C(=O)Cn5ccnc5)CC4)[nH]c(=O)c3C2)CC1 72398863 ISZZBQUCAGRYPP-UHFFFAOYSA-N 438.576 2.309 0 40 IEAB Cn1cc(CN2C[C@@H]3CN(C(=O)c4cccs4)CCC[C@]3(C(=O)NCC3CC3)C2)cn1 96083086 ICONDUPKPLCORW-XXBNENTESA-N 441.601 2.362 0 40 IEAB CN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(C(=O)NC2CCCC2)CC3)C1=O 96144290 OBUWWVRZURIYJF-XMMPIXPASA-N 425.577 2.480 0 40 IEAB CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 101373173 ZINJHPGGNINNOG-JSXRDJHFSA-N 434.602 2.480 0 40 IEAB NC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)C1 197760786 YVNJRGYTBRXZJQ-LBPRGKRZSA-N 432.274 2.305 0 40 IEAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCS(=O)(=O)c1ccccc1 206798215 ORFNAFZXWNTYBI-YJBOKZPZSA-N 435.473 2.211 0 40 IEAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 224063590 AKYLQEFEFHGXDL-LJQANCHMSA-N 445.585 2.357 0 40 IEAB C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(Cc1ccccc1)[C@H]3C(=O)NC1CCCC1)[C@@H]2C(=O)NC1CC1 245229557 ATOYAMUCSJBORR-WJTOECGUSA-N 449.551 2.065 0 40 IEAB CC(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@H](O)[C@@H](N(C)C(=O)Cc2cccc(F)c2)C1 257230842 GEDRMAYEDPDOLG-ZCAIMPEWSA-N 442.531 2.175 0 40 IEAB COc1nc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc(N2CCCCC2)n1 575605882 GDVHQPPPBWQCGY-UHFFFAOYSA-N 447.439 2.248 0 40 IEAB COC(=O)C[C@H](CNC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1 2109742 YCROBYNBHOLFOY-UHOSZYNNSA-N 425.554 2.489 0 40 IEAB Cc1sc2ncnc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1C 2624334 UJPUDCTYWVIBBF-UHFFFAOYSA-N 446.554 2.220 0 40 IEAB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)NC(=O)NCc1ccco1 3482363 QUAWSSNNHLLGNZ-UHFFFAOYSA-N 447.403 2.263 0 40 IEAB CCc1ccc(-c2n[nH]c(SCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)n2)cc1 8880522 BLYXAEOBCQRFPC-UHFFFAOYSA-N 428.518 2.412 0 40 IEAB COc1cc(CN2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)cc(OC)c1 9215870 IHASNWCPCHJXEI-QGZVFWFLSA-N 427.335 2.242 0 40 IEAB O=C(Cn1c(=O)c2sccc2n(CC(=O)NC2CCCC2)c1=O)Nc1ccc(F)cc1 9409861 CJJGOFBHUXELRP-UHFFFAOYSA-N 444.488 2.061 0 40 IEAB O=C(NC1CC1)c1cccc(NC(=O)[C@@H]2CCCN2C2=NS(=O)(=O)c3ccccc32)c1 9463715 JQGIHRRWDDFKPP-SFHVURJKSA-N 438.509 2.131 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccc(F)cc2F)c2c(C(N)=O)nc(-c3ccc(C)o3)nc21 12236982 BEBMQMPZBWDWAP-UHFFFAOYSA-N 441.394 2.441 0 40 IEAB Cc1nc(-c2ccc(CCNC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cc2)cs1 12809834 ROHQOLKLJOLGED-UHFFFAOYSA-N 428.539 2.275 0 40 IEAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1ccc2[nH]ccc2c1 13733449 HMEAQODJLWNGQS-KRWDZBQOSA-N 440.525 2.324 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccccc1SC(F)F 14053629 QKJYVUASHNBMRO-UHFFFAOYSA-N 446.453 2.453 0 40 IEAB O=S(=O)(c1cccc(F)c1)N1CCN(Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 14234120 QMMPRRYHALCXII-UHFFFAOYSA-N 436.900 2.097 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1cccc(OC)c1 14257295 RUULDYGACMPAMT-OBXYEHHASA-N 435.505 2.202 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)c(C)c1 14342493 TVGCMSXPOHKGOK-SFHVURJKSA-N 427.526 2.262 0 40 IEAB COc1cc(C(=O)NCCCS(=O)(=O)N2CCc3ccccc3C2)cc(OC)c1OC 16849298 FVFKIKRNKPRAQJ-UHFFFAOYSA-N 448.541 2.220 0 40 IEAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCOCC2)nc2c1CC(=O)N2Cc1ccccc1 19739739 KKKJPNSUUQRSKA-NRFANRHFSA-N 449.555 2.260 0 40 IEAB CCOC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 20557908 ODKPJTUHZMCARU-OAQYLSRUSA-N 439.491 2.214 0 40 IEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 20744226 PSZCIWKTPIMGNP-UHFFFAOYSA-N 426.498 2.005 0 40 IEAB CCOc1ccc([C@H](c2sc3nc(CC)nn3c2O)N2CCN(CCO)CC2)cc1 22854618 VFIBWGWBBNFBEJ-GOSISDBHSA-N 431.562 2.157 0 40 IEAB Cc1sc2ncn(CCC(=O)Nc3ccc(N4CCN(C)CC4)nc3)c(=O)c2c1C 25148607 HLJBJIHHJCWARA-UHFFFAOYSA-N 426.546 2.250 0 40 IEAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 27570334 JSVPZGIPEVUKRB-HZPDHXFCSA-N 430.530 2.012 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)NC[C@H]3Cc4ccccc4O3)CC2)cc1 28407361 KMKFGKYTTFHMRW-LJQANCHMSA-N 429.542 2.405 0 40 IEAB NC(=O)C1CCN(C(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(F)c2)CC1 32089252 KZPAPOGLUFPTTQ-UHFFFAOYSA-N 446.529 2.402 0 40 IEAB CC(C)[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)c1nc(-c2ccncc2)no1 58403503 JYLWBXYPZPFQBO-YOEHRIQHSA-N 433.472 2.283 0 40 IEAB C[C@H](CNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)c1ccccc1 72326369 AIWLLDIZFXKABD-OJLQRUNKSA-N 435.528 2.254 0 40 IEAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N([C@H](C)C(=O)NC3CCCCC3)CC1)NC2=O 72327468 JTCRXZZNYQGLCR-IQMFZBJNSA-N 429.517 2.364 0 40 IEAB COC(=O)[C@H](O)CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 96011336 LWLHKKPZASSXFW-MRXNPFEDSA-N 428.514 2.136 0 40 IEAB CC(C)n1cnc([C@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4cccnc4)cc32)n1 96156454 GOJBTUDKOIKQGJ-SFHVURJKSA-N 440.529 2.096 0 40 IEAB CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@@H]32)cc1 101169088 CMKAPXBCMPNDGP-ZWKOTPCHSA-N 429.383 2.295 0 40 IEAB CCOc1ccc(-c2noc(CNC(=O)CN(Cc3ccccc3)S(C)(=O)=O)n2)cc1 222543329 UXIDAVPFSHSDFE-UHFFFAOYSA-N 444.513 2.213 0 40 IEAB CNC(=O)c1ccc(-c2ccc([C@@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)nc2)cn1 257306347 STXCLOOVDZEPBQ-QFIPXVFZSA-N 437.544 2.135 0 40 IEAB CCc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@H](C)O)CC2=O)cc1 408614415 BXXFKCJGHZXHKX-WMZOPIPTSA-N 439.512 2.116 0 40 IEAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2C)cc1C 408621477 LHYAPMJNSTUJPH-UHFFFAOYSA-N 431.558 2.475 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1 408922507 BKUYTPOMLSFHJC-UHFFFAOYSA-N 436.486 2.204 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CC[C@H](c3ccc4c(c3)CCO4)C2)cc1 585148966 NIRNALODTXLKLX-KRWDZBQOSA-N 426.494 2.453 0 40 IEAB O=C(O)CNC(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(F)c(F)c3)CC2)cc1 591683947 YXPBTYXRHYDNJE-UHFFFAOYSA-N 438.452 2.348 0 40 IEAB CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 608235815 AGMYRBUKEDJDKB-ZLGUVYLKSA-N 437.544 2.030 0 40 IEAB COC(=O)c1cc(NC(=O)N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)cc(Cl)c1F 616896821 UDLPXOVKVQUMMF-YVEFUNNKSA-N 440.903 2.282 0 40 IEAB Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1CCc1ccc(O)cc1 1742820162 ONLJUUZWPCRHLO-FQEVSTJZSA-N 433.578 2.366 0 40 IEAB O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 1697693 NKQKSPKOQMZNOT-UHFFFAOYSA-N 435.342 2.136 0 40 IEAB Cc1c(CC(=O)N(C)C[C@H](O)CO)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 9305156 UBNRLEFUCPPZBO-KRWDZBQOSA-N 429.513 2.483 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2cccc(-n3cnnn3)c2)cc1 9590848 PMDQFGSFVPRCSX-HNNXBMFYSA-N 428.518 2.184 0 40 IEAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1cccc(Cl)c1)CC2 10705397 VWHCQPRKZLJRLZ-UHFFFAOYSA-N 438.933 2.475 0 40 IEAB COc1cc(-c2nc(C)c(C(=O)N[C@H]3CCS(=O)(=O)C3)s2)cc(OC)c1OC 12391234 JMVGBCXWYBCZPP-LBPRGKRZSA-N 426.516 2.061 0 40 IEAB Cc1cccc2c1NC(=O)[C@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 16022006 NLLXPTRRSFTVMA-XMNZWCOLSA-N 433.508 2.462 0 40 IEAB C[C@H]1CN(C(=O)COC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)C[C@@H](C)O1 16044275 GCZKHSQTFNHBLM-IYBDPMFKSA-N 436.464 2.275 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc3c(c2)OCO3)CC1 18156650 NPNBICBNVRNIOU-UHFFFAOYSA-N 435.502 2.079 0 40 IEAB CCC[C@@]1(C(=O)OCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 19501962 PWHHLLSJOAWOAM-DDOIHHOZSA-N 448.516 2.080 0 40 IEAB CNc1cc(C(=O)NCCc2nc(-c3ccccc3)ncc2C(=O)N2CCOCC2)ccn1 19697453 HDQGLQPTCMGBRP-UHFFFAOYSA-N 446.511 2.025 0 40 IEAB COc1cc(C)c(S(=O)(=O)N2CCC(Cc3nn(C)cc3C(=O)N(C)C)CC2)cc1C 19756641 RTMLILUBMMXUDR-UHFFFAOYSA-N 448.589 2.391 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2ccccc2)cc1 19943113 ZBRKPWJCIOVBRZ-UHFFFAOYSA-N 431.558 2.029 0 40 IEAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1C 21184811 DFTVDXUYHYNOQX-LBPRGKRZSA-N 447.542 2.257 0 40 IEAB CC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1 22531070 ISRONTRUCJQLLG-UHFFFAOYSA-N 432.384 2.060 0 40 IEAB CCn1c(CN2CCN(c3ccccn3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 23908161 JVWNVNDXKRJPAC-UHFFFAOYSA-N 428.562 2.024 0 40 IEAB Cc1ccc2[nH]c(C(=O)OCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)cc2c1 27706253 BFHZAAMJJIETTR-UHFFFAOYSA-N 429.498 2.200 0 40 IEAB COc1ccccc1N1C[C@H](C(=O)NCCNC(=O)c2cc3ccccc3n2C)CC1=O 32101790 UADUVYPHXSBCPX-QGZVFWFLSA-N 434.496 2.086 0 40 IEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 32808861 KOPMAHUXQCKFMA-MRXNPFEDSA-N 446.433 2.131 0 40 IEAB CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cnc4ccccc4n3)c(=O)n12 34112437 RHYWQDWQPNZWEW-JRHHJZIESA-N 442.500 2.218 0 40 IEAB COc1ccc(CC(=O)Nc2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1C 35590087 RNBVCKYLGJJPHI-UHFFFAOYSA-N 430.486 2.485 0 40 IEAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@H](C(F)(F)F)C1 37222263 HEFXRTINFPMTAU-HOTGVXAUSA-N 433.496 2.182 0 40 IEAB Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 58227572 AKNYRNAQCPDBRL-UHFFFAOYSA-N 441.532 2.446 0 40 IEAB CC(C)N1CCC(NC(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2ccccc2O3)CC1 72327560 OFCXHOIIUXLJJG-DEOSSOPVSA-N 427.545 2.392 0 40 IEAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)c(C)c2)cc1 107648995 LFHPHAQJSSOUSW-UHFFFAOYSA-N 445.541 2.207 0 40 IEAB CC(C)Oc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 113958946 RPZHVIHMKCGLNC-UHFFFAOYSA-N 431.558 2.340 0 40 IEAB CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(F)c1 225100986 IMFUJHWRJNFOCF-UHFFFAOYSA-N 425.434 2.379 0 40 IEAB Brc1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2 8685929 MKVKGSSEWRYVEF-UHFFFAOYSA-N 435.311 2.303 0 40 IEAB Cc1c(C)c2c(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc3c(c2oc1=O)CCC(C)(C)O3 8765101 OIVCZCVVUNWVOY-CQSZACIVSA-N 449.525 2.196 0 40 IEAB biogenic COc1ccc(Br)cc1CN(C)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 9254634 JYVATALLMLEOTD-UHFFFAOYSA-N 432.274 2.120 0 40 IEAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1OCc1ccc(F)cc1 9491834 KXUDKHYTBBEXND-SFHVURJKSA-N 448.516 2.170 0 40 IEAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)Cn3nc(C)c4ccccc4c3=O)cc2n1 12154093 NPZLKNPTKNMEDU-IBGZPJMESA-N 432.484 2.379 0 40 IEAB COc1ccc(Cc2nnc(SCC(=O)N(c3ccccc3)C(C)C)n(N)c2=O)cc1 12348445 WHHATAROXLZVET-UHFFFAOYSA-N 439.541 2.485 0 40 IEAB NC(=O)C1CCN(C(=O)CCNC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2)CC1 12408650 AHQMOHSWJHTFEL-UHFFFAOYSA-N 431.924 2.003 0 40 IEAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1nccn1-c1cccc(F)c1 12547418 JDZDRXADPZNWQF-UHFFFAOYSA-N 432.502 2.340 0 40 IEAB CCOc1ncccc1C(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13072712 DCMSZEQMCLKPIP-UHFFFAOYSA-N 437.500 2.264 0 40 IEAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)Cc2n[nH]c(=O)c3ccccc23)CC1 13552967 ABRRTRXONWGHSM-UHFFFAOYSA-N 434.452 2.072 0 40 IEAB CN(C)S(=O)(=O)c1ccc2nnn(OCc3ccc(F)cc3Br)c2c1 14319235 TXBDDLLKFSBCJN-UHFFFAOYSA-N 429.271 2.212 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C(=O)OC)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O 16013067 TZIHBFDCGFSPRF-WTGUMLROSA-N 432.432 2.162 0 40 IEAB COc1ccc(CNC(=O)CCCCn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1 16953746 BLUDLCKVHDPVJN-UHFFFAOYSA-N 441.484 2.202 0 40 IEAB COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCN(C)CC1 22796244 IYCFFVDMNKJGPF-HXUWFJFHSA-N 428.508 2.186 0 40 IEAB COC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc(C(=O)OC)c1 30754875 XMWURWQFIJQHKL-UHFFFAOYSA-N 432.454 2.187 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(Cc3cccc(C)c3)CC2)n(C)c1 32206796 JAMOFPOPMZCTQY-UHFFFAOYSA-N 432.590 2.322 0 40 IEAB CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3cnn(CC)c3C)C2)c(C)n1 36611194 UYLOKVBCKFKKHH-YOEHRIQHSA-N 436.582 2.014 0 40 IEAB CCOc1nnc(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)s1 39563748 AYSAXOZZUFDJLC-UHFFFAOYSA-N 436.481 2.462 0 40 IEAB CCN1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 40107978 BEDBXWBLQUKIRL-HSZRJFAPSA-N 441.620 2.368 0 40 IEAB CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)NC[C@@H]1CCCO1 46027619 SJGOBJYQWAMSJY-KRWDZBQOSA-N 431.558 2.346 0 40 IEAB COCCOc1ccc([C@@H](C)NC(=O)Cn2nc(-c3ccccc3)oc2=O)cc1OC 59119123 FIDGPVQZAHELIZ-OAHLLOKOSA-N 427.457 2.415 0 40 IEAB C[C@H]1CN(C(=O)c2ccc(NCc3nnc4n(C)c(=O)c5ccccc5n34)cc2)C[C@H](C)O1 71987193 ODOZCRQUSVOLPT-HOTGVXAUSA-N 446.511 2.443 0 40 IEAB Cc1cccc(Nc2ccc(C3CCN(CC(=O)N4CCC(C(N)=O)CC4)CC3)nc2)n1 72374221 ALICLLTYVKBCNS-UHFFFAOYSA-N 436.560 2.432 0 40 IEAB Cc1nc(N2CCC(NC(=O)C(C)C)CC2)cc(N2CCC(NC(=O)C(C)C)CC2)n1 84271847 KNDXKSXLWZZOMW-UHFFFAOYSA-N 430.597 2.267 0 40 IEAB CSc1ccc([C@@H](CC(=O)O)NC(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)cc1 95989632 PNVDBYYXEYUTSS-QGZVFWFLSA-N 434.539 2.490 0 40 IEAB CS(=O)(=O)N(CCCC(=O)NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 222672034 LCTZHFBUTYPMDN-UHFFFAOYSA-N 448.497 2.049 0 40 IEAB COc1cccc(OCCNC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 223686141 PYJSPUPWZZSCNK-UHFFFAOYSA-N 442.921 2.318 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCC2)c1)c1ccccc1F 224621316 ROAFWQSFKJNTDP-UHFFFAOYSA-N 448.564 2.351 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 224994997 MZBVVPVMUZSYEI-UHFFFAOYSA-N 425.457 2.206 0 40 IEAB CCCSc1nnc(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)s1 225787592 MKEMYEIMHZZALV-UHFFFAOYSA-N 446.576 2.462 0 40 IEAB Cn1ccc2cc([C@H](O)CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 240122538 WCBLEGAJAOGWER-OAQYLSRUSA-N 427.526 2.426 0 40 IEAB Cc1cc2nc(CCC(=O)N3CC[C@@](C)(O)[C@H](n4cnc5c(N)ncnc54)C3)[nH]c2cc1C 257290313 QCJCTTSRHICRMJ-UZUQRXQVSA-N 448.531 2.059 0 40 IEAB COCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 408556481 CZXWWQVTBLRKFO-UHFFFAOYSA-N 443.319 2.391 0 40 IEAB C[C@H](Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)C(=O)N1CCOCC1 408612091 YHVJVXZKQQGYGP-ZDUSSCGKSA-N 426.441 2.392 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccccc1I 408622359 OZTMPPVSVUZSJO-NRULLWLTSA-N 448.260 2.283 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1 408637113 XVBWKJJQWGQPGE-UHFFFAOYSA-N 442.877 2.011 0 40 IEAB Cc1nc(CN2CCCN([C@@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)CC2)oc1C 592198099 ZMQRTKDPSJJCLJ-INIZCTEOSA-N 434.562 2.230 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)N(C)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565523261 KKGHRUGRUZNGKU-UHFFFAOYSA-N 430.509 2.349 0 40 IEAB COc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@H]32)c(OC)c1 822820 SUALZYVDSIGTIG-MSOLQXFVSA-N 431.448 2.180 0 40 IEAB CCO/C=C1\C(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)c2ccccc21 3270606 ZMNXYNKVNAQOMR-HKWRFOASSA-N 442.493 2.272 0 40 IEAB COCCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 6238930 HGWFGVUXEJAELF-MRXNPFEDSA-N 433.530 2.149 0 40 IEAB Cc1cc(C)c(OCC(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(C)c1 6551747 XSUGDMSSORTIID-GOSISDBHSA-N 425.547 2.206 0 40 IEAB COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCC(C)CC2)cc1S(=O)(=O)N1CCCC1 8881641 ILEDJUGVMKECPQ-INIZCTEOSA-N 438.546 2.284 0 40 IEAB Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3ncccc32)c1 9660634 SJNSVHKFLXSTEM-UHFFFAOYSA-N 444.447 2.282 0 40 IEAB CN(Cc1ccccc1N1CCCCC1)C(=O)CNC1=NS(=O)(=O)c2ccccc21 9866175 ILLSLDLVHSYBSP-UHFFFAOYSA-N 426.542 2.374 0 40 IEAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 12996262 KOKUVVGUBKESRS-FQEVSTJZSA-N 435.524 2.256 0 40 IEAB Cc1ccc(-n2nnn(CN3CCN(S(=O)(=O)c4ccccc4)CC3)c2=S)c(C)c1 13071728 ZLSMPQDPPBSXIK-UHFFFAOYSA-N 444.586 2.379 0 40 IEAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1 14234978 DZBPLUYNJWBPAU-NSHDSACASA-N 429.857 2.113 0 40 IEAB O=C(Oc1ccc(-c2nnco2)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 14794887 ZGTHFFOTPSEKOP-UHFFFAOYSA-N 433.417 2.116 0 40 IEAB CS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 15675023 CTQBYEYRCVOBQJ-WBVHZDCISA-N 443.481 2.177 0 40 IEAB biogenic,in-vitro CCNc1c(NS(=O)(=O)c2c(C)nc3sccn3c2=O)c(=O)oc2ccccc12 16681923 MGCTWCREMGHOAP-UHFFFAOYSA-N 432.483 2.403 0 40 IEAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 19591361 AIGQURRXXSJXBF-MBSDFSHPSA-N 425.554 2.401 0 40 IEAB COC(=O)c1ccc(C(=O)N2CCC[C@H]([C@H]3Nc4ccccc4S(=O)(=O)N3)C2)cc1 19592530 SEPNXCVKNCAWDJ-LPHOPBHVSA-N 429.498 2.056 0 40 IEAB Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 19766840 JGZFAEDVYFCJDS-GOSISDBHSA-N 438.484 2.006 0 40 IEAB Cn1c(=O)c2c(nc(Cl)n2CC(=O)N(Cc2ccccc2)c2ccccc2)n(C)c1=O 22066707 ASVVLDVHMYLOFT-UHFFFAOYSA-N 437.887 2.321 0 40 IEAB COc1cc(CCC(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc(OC)c1 23231165 WBDOMCFAFQWZDL-UHFFFAOYSA-N 426.425 2.044 0 40 IEAB O=C(CN1C(=O)CCOc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 26766101 UIJKQPXHZUUVNH-UHFFFAOYSA-N 429.498 2.225 0 40 IEAB O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 27467892 XFGIJPNARHLABY-OAHLLOKOSA-N 437.452 2.087 0 40 IEAB O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)NCCCN1CCOCC1 27937518 MBBZNNXUNIMCAT-UHFFFAOYSA-N 439.276 2.380 0 40 IEAB CCCn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)cnc21 30028063 FEFIMSSEUNCXAB-QGZVFWFLSA-N 436.468 2.243 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 32853768 JODDZLJIIGFLLT-FGZHOGPDSA-N 438.528 2.306 0 40 IEAB O=C(CCN1CCO[C@@H](c2ccc(Cl)cc2)C1)NN1C(=O)NC2(CCCCC2)C1=O 40154716 HRMCFXKERDZAAO-QGZVFWFLSA-N 434.924 2.389 0 40 IEAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCCN1CCCC1=O 40160537 ODVMMJDEAFWLRR-UHFFFAOYSA-N 444.509 2.226 0 40 IEAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 78902802 SOSBPNOOIKUHMU-CQSZACIVSA-N 427.910 2.078 0 40 IEAB CCOC(=O)C1(O)CCN(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 79015151 OSSKYWMAEPZDIG-UHFFFAOYSA-N 445.438 2.464 0 40 IEAB CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC[C@@H](C(C)C)N2CCOCC2)s1 95455468 FCPCJMPTYROVLM-SFHVURJKSA-N 445.651 2.088 0 40 IEAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 102818903 JJJRPTZPKIVJPD-TXEJJXNPSA-N 425.407 2.066 0 40 IEAB COc1ccccc1CNC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 113965214 MAIATNYIBPIXLS-UHFFFAOYSA-N 434.514 2.329 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)CC1 220467546 MESQOFDFSSUCGG-MRXNPFEDSA-N 435.521 2.338 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)Cc2cccc(Cl)c2)cc1 224231058 LBJIUBLWOSEPKN-UHFFFAOYSA-N 432.951 2.089 0 40 IEAB CCN1CCN(CCCNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 249680125 AIQUNPWMCHPCJV-UVYNTUDKSA-N 440.588 2.085 0 40 IEAB COc1ccc(OC)c(C=c2sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)c1 254858662 UMUZTVVPCQZGDR-UHFFFAOYSA-N 425.466 2.400 0 40 IEAB CCOc1ccc2[nH]c(C(=O)N[C@@H]3CCC[C@@H](N4CCN(C(C)=O)CC4)[C@@H]3O)c(C)c2c1 257221907 DRBIXNRVCMYIFS-MQSCRBSSSA-N 442.560 2.051 0 40 IEAB O=C(CCN1CCCC1)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257323269 WJLKNSWFEREBRF-VDKIKQQVSA-N 429.605 2.162 0 40 IEAB COc1cc(CN(C)C[C@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCCCN(C)C 257328418 XFOGLKVHBTYTOW-XMMPIXPASA-N 443.592 2.197 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)NCCCO 408561786 LHMFFBNQGAENNX-UHFFFAOYSA-N 438.933 2.359 0 40 IEAB C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 501930618 ZTEJAGCNJLIXRB-KSSFIOAISA-N 446.467 2.331 0 40 IEAB CN1c2ccccc2N(C2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)S1(=O)=O 575414166 CGORTOQGGDWRHV-UHFFFAOYSA-N 444.513 2.019 0 40 IEAB O=C(c1cc(=O)c2ccccc2o1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148477 HSJVPRSPMLBGRI-UHFFFAOYSA-N 437.374 2.224 0 40 IEAB CC(C)(NC(=O)c1ccccc1F)C(=O)N1CC[C@](O)(CN2CCc3ccccc3C2)C1 585261762 HWDPIFAVOSCZQB-VWLOTQADSA-N 439.531 2.356 0 40 IEAB O=C(C1CC1)N1CCC2(CC1)OC(=O)N1CCN(Cc3ccc(-n4ccnc4)cc3)C[C@H]12 1549162213 ROPGQULORATXMG-NRFANRHFSA-N 435.528 2.280 0 40 IEAB Cc1cc(C(=O)N2CCC3(CC2)N(Cc2ccccc2)C(=O)[C@H]2CN(C)CCN23)c(C)o1 1772595321 MDBKBBOAUISVQX-JOCHJYFZSA-N 436.556 2.487 0 40 IEAB COc1ncc(CN2CCO[C@]3(CO[C@H](C(=O)NCc4ccc(F)cc4F)C3)C2)cc1C 2056226569 VCIKYCQTMZKHHY-REWPJTCUSA-N 447.482 2.353 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 3104378 BZXFMVBDNNTTAK-UHFFFAOYSA-N 429.947 2.402 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc(OC)c(OC)c2)cc1 9806809 GBCZNLRZIKSVMQ-MRXNPFEDSA-N 434.514 2.296 0 40 IEAB COCCCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1OC 10299927 IUTNILRRNBUKBO-UHFFFAOYSA-N 436.530 2.360 0 40 IEAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)Cn1ncc3ccccc3c1=O)c1ccccc1O2 12086441 DAJOIJFGCUNWOQ-CPJSRVTESA-N 446.507 2.418 0 40 IEAB C[C@H](NC(=O)CCS(=O)(=O)c1ccc(F)cc1)C(=O)NCCc1c[nH]c2ccccc12 12391485 QLWMWLPHOOLHGZ-HNNXBMFYSA-N 445.516 2.334 0 40 IEAB CCn1c(COC(=O)c2ccc(NC(N)=O)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 12520738 CREOFPLEUSZVQZ-UHFFFAOYSA-N 445.501 2.154 0 40 IEAB O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCN(c2ccc(F)cc2)CC1 12557373 JVSVXYXRUXXBMM-FQEVSTJZSA-N 447.532 2.245 0 40 IEAB O=C(c1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 14094489 JUMKVSVQKFDDIQ-UHFFFAOYSA-N 434.424 2.162 0 40 IEAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 14184262 QNAISKUVDSTXDN-UHFFFAOYSA-N 433.530 2.119 0 40 IEAB CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 14252310 LJNFLCZEEYDWEM-GAJHUEQPSA-N 426.469 2.227 0 40 IEAB O=C(Cc1cccs1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 19343137 HIKNEHRUKJHTCX-HNNXBMFYSA-N 426.542 2.075 0 40 IEAB O=C(c1cc(C2CCN(S(=O)(=O)CCc3ccncc3)CC2)no1)N1CCCCC1 19405112 GRMSMRGUEYLJAS-UHFFFAOYSA-N 432.546 2.448 0 40 IEAB O=C(NCc1ccccc1)c1ccc(=O)n(CC(=O)N2CCC[C@@H](CN3CCCC3)C2)c1 19751311 YKAUIPOPFJACQO-NRFANRHFSA-N 436.556 2.113 0 40 IEAB Cc1nc([C@H]2CCCCN2C(=O)CCC(N)=O)ncc1C(=O)NCc1ccc(F)cc1 19764978 SHKWYJIVROWFFW-GOSISDBHSA-N 427.480 2.173 0 40 IEAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccccc1S(=O)(=O)N1CCOCC1 25181525 QJTSQRPWNGOBEX-UHFFFAOYSA-N 426.498 2.205 0 40 IEAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CSc2nnc3ccccn23)CC1 27213213 IFGVCPPLUGDBAR-UHFFFAOYSA-N 438.557 2.221 0 40 IEAB COc1ccc(CN2CCN(C(=O)c3cnn(C)c3-n3cccc3)CC2)c(OC)c1OC 30936430 FWPJKLQJQDEPAR-UHFFFAOYSA-N 439.516 2.195 0 40 IEAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1OC 35982191 XFIZOQIAPZFVPO-VZUCSPMQSA-N 445.541 2.292 0 40 IEAB COc1ccc(CCN2CC(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 63376403 YVJDCEFVMSNCDZ-PMACEKPBSA-N 434.945 2.406 0 40 IEAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@H](C)C(=O)NCCc3ccncc3)CC1)NC2=O 72327959 ORMUKBBZVXXBID-OSPHWJPCSA-N 435.528 2.002 0 40 IEAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccc(-c3cccc(OC)c3)cc2)CC1 96377032 NXMREILTBJOLIK-UHFFFAOYSA-N 430.526 2.128 0 40 IEAB COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc(Cl)c1OCC(N)=O 96840028 VJUIMZHYHHTGGN-WLRTZDKTSA-N 430.800 2.286 0 40 IEAB O=C(Cn1cccn1)NC[C@H]1CC[C@H](c2c(C(=O)NCCO)sc3ncccc32)CC1 100688367 GZQPHINQJYRRAM-IYBDPMFKSA-N 441.557 2.305 0 40 IEAB C[C@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 222918781 NTZADIDIODPDSE-LJQANCHMSA-N 427.520 2.234 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1cc2oc(=O)n(C)c2cc1C 223339508 WDDBBOBIVJORBF-UHFFFAOYSA-N 436.442 2.045 0 40 IEAB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)NCc3ccc4c(c3)OCO4)s2)c1 224228918 UYHCYXSGVMQFRV-UHFFFAOYSA-N 432.483 2.306 0 40 IEAB CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225212138 BYPMINHKVLJGJV-INIZCTEOSA-N 437.562 2.282 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C)S(C)(=O)=O 225420878 BWFLVFVGFWWJMJ-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB CC(=O)N1CCc2nc3cc(C4CCN(C(=O)[C@@H]5[C@H]6CCCC[C@H]65)CC4)nn3c(O)c2C1 247941824 NKZLXCGRYDIFNM-YPGOJHLTSA-N 437.544 2.482 0 40 IEAB Cc1cccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1C 409120581 UJSBRNQNHVTJNJ-UHFFFAOYSA-N 439.559 2.104 0 40 IEAB CCCCNC(=O)CSC(Nc1ccc(OC)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 409375222 HIZDZDYNDNGEMJ-UHFFFAOYSA-N 434.518 2.019 0 40 IEAB O=C(N=c1nc(-c2ccccc2)[nH]s1)NCCNS(=O)(=O)c1cccc(Cl)c1 531102864 KKIDVIPIVHLIJF-UHFFFAOYSA-N 437.934 2.380 0 40 IEAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H](c3ccccc3)c3ncn(C)n3)CCOCC2)o1 1547138672 FBVWDNPIXCMVPR-IBGZPJMESA-N 438.484 2.126 0 40 IEAB biogenic CC(=O)NCc1ccc(C(=O)N2CCn3c(Cc4cccc(F)c4F)nnc3C2)cc1 1583367112 OSDDGWAIZXNGLI-UHFFFAOYSA-N 425.439 2.439 0 40 IEAB Cc1cnc(CN2CCC[C@]3(CC=CCOc4ccccc4C(=O)NCCNC3=O)C2)cn1 2037818722 UIQBNZNIXBZDAD-RUZDIDTESA-N 449.555 2.252 0 40 IEAB COC(=O)COc1cccc2c(=O)n(CC(=O)Nc3cc(OC)ccc3OC)ccc12 2712399 MYWLIEJIXFOTMU-UHFFFAOYSA-N 426.425 2.209 0 40 IEAB CN1C(=O)[C@@H](ON2C(=O)c3ccccc3C2=O)N(c2ccc(Br)cc2)C1=O 3176217 VLKVBNDGACEUEZ-QGZVFWFLSA-N 430.214 2.401 0 40 IEAB O=S(=O)(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 3324863 XADUCFFHPCSWFX-MDWZMJQESA-N 446.472 2.411 0 40 IEAB COCCn1c(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)nc2ccccc21 3405900 ZQZQVSNRYMXBTH-UHFFFAOYSA-N 445.545 2.307 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)CC2)cc1 9127074 MFYYUDVMNFCXAT-LJQANCHMSA-N 449.507 2.362 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)ccc1Cl 9388644 CUGXXVPCYYIKAX-UHFFFAOYSA-N 445.950 2.059 0 40 IEAB CCCn1c(N)c(N(CCOC)C(=O)Cc2c(Cl)cccc2Cl)c(=O)[nH]c1=O 9508643 FNHGFZBHJDZNNF-UHFFFAOYSA-N 429.304 2.058 0 40 IEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ncnc2c1cnn2-c1ccccc1 9585398 WYYWCIZYCYSFKV-UHFFFAOYSA-N 434.431 2.431 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2cn3ccccc3n2)CC1 9593190 WDOMIQAXQDONMD-UHFFFAOYSA-N 428.514 2.002 0 40 IEAB COc1ccccc1CNC(=O)COC(=O)CNC(=O)c1ccc(Br)cc1 9634058 REKWKCHKPMEYAL-UHFFFAOYSA-N 435.274 2.047 0 40 IEAB CC(C)C[C@H](C(=O)OCC(=O)Nc1sccc1C(N)=O)N1C(=O)c2ccccc2C1=O 9958335 VCYBEBCMXJYLJP-OAHLLOKOSA-N 443.481 2.040 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc2n1CCCO 10103963 DTEKMJJREYYPRV-UHFFFAOYSA-N 431.496 2.350 0 40 IEAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3cccc(F)c3)n2)o1 12480601 DTXCHAKUMWJUAJ-UHFFFAOYSA-N 426.452 2.473 0 40 IEAB CCOC(=O)c1sc(NC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1C 14153259 CCROKMBVEBUEKL-UHFFFAOYSA-N 431.392 2.151 0 40 IEAB CC(C)CN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 15971399 PAWFPDVQDJDNCK-SFHVURJKSA-N 442.603 2.147 0 40 IEAB Cn1c(=O)c2c(ncn2CC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)n(C)c1=O 16048681 PJVQFVPFLBTNMG-KRWDZBQOSA-N 447.520 2.314 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 16350058 QLGLEGQALZJHFE-UHFFFAOYSA-N 431.558 2.281 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccnn3C(C)C)CC2)c(C)c1 16514845 YBEJHGSYHKVCSA-SFHVURJKSA-N 433.578 2.414 0 40 IEAB COc1ccc(-c2nnc3n(Cc4cccc(Cl)c4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 17144421 LZKBNODGJQFGFJ-UHFFFAOYSA-N 436.859 2.448 0 40 IEAB Cn1nc([C@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2)c2nccnc21 19289342 LRUVDBNSTASDTR-INIZCTEOSA-N 427.530 2.323 0 40 IEAB CCCC(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699666 BCQRWNVKITVFTP-GOSISDBHSA-N 426.517 2.004 0 40 IEAB CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nc2c1CN(C(C)=O)CC2 19710613 PTFKYDFCNWTECI-HNNXBMFYSA-N 447.536 2.130 0 40 IEAB Cc1n[nH]cc1C(=O)N1CC[C@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 19761392 BNIHCAJWHXQDDC-KRWDZBQOSA-N 432.528 2.284 0 40 IEAB CCCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nc(C)ncc2C(=O)NC2CC2)c(C)n1 19766727 PKZSCBKTDJBFQE-QGZVFWFLSA-N 432.550 2.118 0 40 IEAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCN(C)CC2)cc1 22795423 YUZYNZCVRUNXEV-FQEVSTJZSA-N 432.471 2.017 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cn3ccccc3n2)cc1 24757752 MIPUPRJQLAUYES-CQSZACIVSA-N 430.486 2.205 0 40 IEAB CCCc1ccc(N2C[C@H](C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2=O)cc1 29884540 LTEQPQHLIJIZSG-GOSISDBHSA-N 440.544 2.363 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 30939603 USCCDUKNOSHLEF-IBGZPJMESA-N 431.514 2.382 0 40 IEAB NC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c2ccccc2O1 32986157 DHTCMUUSOJHHGI-DNVCBOLYSA-N 427.888 2.472 0 40 IEAB CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)CC(=O)N3CCOCC3)o2)cc1 35597600 AUEUHPRXZXWNIO-UHFFFAOYSA-N 449.529 2.135 0 40 IEAB COc1ccc(CCNC(=O)CCCC(=O)N2CCN(c3ccccn3)CC2)cc1OC 41128141 VKWHIQBPJKJEQX-UHFFFAOYSA-N 440.544 2.277 0 40 IEAB Cc1cc(C)c2c(OCC(=O)NC[C@@H](C)N3CCN(c4ccccc4)CC3)nn(C)c2n1 58305066 UASSQBPBJHQTKF-LJQANCHMSA-N 436.560 2.291 0 40 IEAB COc1ccc([C@@H]2CCCN2C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)c(OC)c1 59296926 MFJIGVPYYAYZCC-QMMLZNLJSA-N 433.549 2.288 0 40 IEAB CCn1nc([C@@H](C)C(=O)N2[C@H]3CC[C@@H]2Cc2nc(C)[nH]c(=O)c2C3)c2ccccc2c1=O 72373139 RQGCFOASUHLCHF-VNQPRFMTSA-N 433.512 2.070 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)c1 79062522 UGTFZWZPOWQPMK-UHFFFAOYSA-N 436.534 2.050 0 40 IEAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 95385660 IFUJJQGQANTTID-UYAOXDASSA-N 427.570 2.485 0 40 IEAB CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)[C@H](C)OCc3cccc(OC)c3)C2)no1 95436368 FJEZHQYDGKCTIU-YJBOKZPZSA-N 430.505 2.195 0 40 IEAB CCOC(CNC(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)OC)(OCC)c1ccccn1 95465469 LWZDDQCZAQYYIP-UHFFFAOYSA-N 431.489 2.292 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC 220233620 CHHQPDRXYLOCBM-ZDUSSCGKSA-N 436.486 2.268 0 40 IEAB C[C@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc2c(c1)OCCO2 222723758 PWSLJWQQQYUNIL-LBPRGKRZSA-N 426.441 2.379 0 40 IEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)s1 225727919 PXDZUTBSHXNHHD-UHFFFAOYSA-N 442.910 2.315 0 40 IEAB COc1ccc(Cc2cc(C)nc([C@@H]3CN(C(=O)Cn4nc(C)ccc4=O)CCO3)c2)cc1 257224673 FCVCEPSBSNXHCV-QHCPKHFHSA-N 448.523 2.455 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCn3ccnc3)cc2)cc1 408589411 FMSOXIYHVDICFF-UHFFFAOYSA-N 444.513 2.278 0 40 IEAB O=C(c1c(F)cccc1F)N1C[C@@H]2OCCS(=O)(=O)N(Cc3cccc(F)c3)[C@@H]2C1 1534645791 DOPDRJWAOQYVKT-MSOLQXFVSA-N 440.443 2.159 0 40 IEAB CC(C)N(C)CC(=O)N1CCO[C@@]2(C1)C(=O)N(Cc1cccnc1)C[C@@H]2c1ccccc1 2055785681 YRAPZNCAJWDQMA-RCZVLFRGSA-N 436.556 2.145 0 40 IEAB COc1ccc(-n2c(-c3cccc(OC)c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 719877 GSXKQLMTDXZATP-UHFFFAOYSA-N 431.452 2.360 0 40 IEAB CN(C)c1nc(OCCOC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1 2266582 QYUPIVBPVDMJHA-UHFFFAOYSA-N 430.292 2.311 0 40 IEAB O=C(NCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 2628160 BTGZQNFWNDUOGU-XNTDXEJSSA-N 447.944 2.215 0 40 IEAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)C1=O 8771643 JGCHILAQXXGNFT-HXUWFJFHSA-N 428.518 2.048 0 40 IEAB O=C1CSc2ccc(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2N1 8881026 PTDQCMFDOJVLLM-UHFFFAOYSA-N 431.539 2.019 0 40 IEAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 9063848 ARCMJPSATOJGAK-QGZVFWFLSA-N 432.542 2.467 0 40 IEAB CN1CCN(C2=N[C@H](c3ccco3)C3=C(N2)C(=O)N(c2ccc(Cl)cc2)C3=O)CC1 9287448 SOIBYWKZPVULNN-QGZVFWFLSA-N 425.876 2.008 0 40 IEAB Cc1ccccc1-n1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nnc1-c1cccnc1 9322247 UGGFVLUOEANHCO-INIZCTEOSA-N 443.554 2.033 0 40 IEAB COc1ccc(-n2c(-c3ccc(F)cc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c(OC)c1 9421075 VRHBWHUKQYPBTF-UHFFFAOYSA-N 435.415 2.489 0 40 IEAB CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)nnc12 9635515 ZRRPHBVUHTZHET-UHFFFAOYSA-N 449.496 2.355 0 40 IEAB O=C(Nc1nc(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)cs1)c1ccco1 11834985 LUVMLCKMAHFRHV-UHFFFAOYSA-N 428.470 2.499 0 40 IEAB O=C(NCCC1=CCCCC1)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12030934 OZOWBQHGXGYNNP-INIZCTEOSA-N 429.535 2.407 0 40 IEAB CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031040 XRPDKRHZZHZZMJ-INIZCTEOSA-N 425.503 2.059 0 40 IEAB CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1nc2ccccc2c(=O)[nH]1 12746256 QYEIXVBLYFGWIY-UHFFFAOYSA-N 425.514 2.033 0 40 IEAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3ccccc3N3CCCC3=O)CC2)C1 12804376 CESKZSUMOJEAPF-OALUTQOASA-N 426.561 2.076 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 12873644 OPPKEYVYEFONFP-CQSZACIVSA-N 446.554 2.044 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)COC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 13057794 NDOURIKLBDWWLT-ZDUSSCGKSA-N 449.485 2.402 0 40 IEAB O=C(C[C@H]1CCCO1)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 13265593 LYJARVZXOOHKDZ-MRXNPFEDSA-N 427.954 2.405 0 40 IEAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)c1 13577000 WZZNEBODPPEPBP-HXUWFJFHSA-N 449.463 2.205 0 40 IEAB CS(=O)(=O)N(CCCC(=O)N1CCC(C(N)=O)CC1)c1cc(Cl)ccc1Cl 14397599 LPZPCQCMDGWBMK-UHFFFAOYSA-N 436.361 2.264 0 40 IEAB CCCn1c(SCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)n[nH]c1=O 18523957 YOWBHLARICKLEQ-UHFFFAOYSA-N 427.933 2.210 0 40 IEAB NC(=O)Cn1c(SCC(=O)Nc2cccc3nsnc23)nnc1-c1cccs1 19079235 XEEFXVJKKZAOKK-UHFFFAOYSA-N 431.528 2.227 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](C[C@H]3NC(=O)c3cc(C(F)(F)F)n(C)n3)C2)cc1 19211682 ALEOIIUVXDKKLG-NWANDNLSSA-N 442.463 2.186 0 40 IEAB O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372527 OWFUCPOJLPGLBM-NJDAHSKKSA-N 444.528 2.060 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)C2 19739773 UOXGGFRBTFWWRG-IBGZPJMESA-N 439.491 2.203 0 40 IEAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1)C(=O)OC 20726591 GQOZIEFEUMVZSM-YJBOKZPZSA-N 434.880 2.215 0 40 IEAB O=C(CCCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1O 20729995 WSXIJEZLWZGRCU-UHFFFAOYSA-N 449.504 2.173 0 40 IEAB COc1ccc(OCC(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 21200427 MWJDZLUJBXYPED-UHFFFAOYSA-N 433.482 2.212 0 40 IEAB CCOc1ccc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 23654322 DXHLXGVEQHIPKK-HEOKHYPTSA-N 431.489 2.456 0 40 IEAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1 23846739 NZLMFZLDBQOQEV-NRFANRHFSA-N 429.542 2.165 0 40 IEAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3F)n(N)c2=O)cc1 27546248 ZGKJBSNPCFVCBD-UHFFFAOYSA-N 429.477 2.212 0 40 IEAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1 30210063 HKJGFKOYGIZOBR-ZDUSSCGKSA-N 436.361 2.246 0 40 IEAB COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)cc1 43944127 SPFMZUIBBYSPKQ-UHFFFAOYSA-N 441.459 2.219 0 40 IEAB CC(C)Cn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)snc2c1=O 49409885 VFKIOYILBDSDCR-UHFFFAOYSA-N 447.948 2.418 0 40 IEAB CC(C)[C@@H](NC(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1)c1nc(-c2ccncc2)no1 58403494 JYLWBXYPZPFQBO-WMLDXEAASA-N 433.472 2.283 0 40 IEAB Cc1cc(O)n2nc(C3CCN(C(=O)c4oc(CN5CCOCC5)cc4C)CC3)cc2n1 100137442 IZXDAYGLBPJALM-UHFFFAOYSA-N 439.516 2.497 0 40 IEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 102397668 YXSUIYRYHPOHSZ-OALUTQOASA-N 445.541 2.141 0 40 IEAB CCOc1cccc([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]32)c1O 103001376 ZELOXWZXUZMIEU-FXKZBUDASA-N 440.452 2.093 0 40 IEAB biogenic,in-vitro CNC(=O)OCC1=C(COC(=O)NC)[C@H]2O[C@H]1C(c1ccc(Cl)cc1)=C2C(=O)OC 104214924 GSWWHOPYIUGNCK-IAGOWNOFSA-N 436.848 2.056 0 40 IEAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 208175629 NAEZQNRJBHPTCW-JKSUJKDBSA-N 432.476 2.468 0 40 IEAB Cc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)n2)cc1 219271166 QDEJOOFVCISZLU-SFHVURJKSA-N 442.497 2.231 0 40 IEAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC)ccc2C)cc1 223000300 LQZLKHNXNCNVGT-UHFFFAOYSA-N 427.504 2.272 0 40 IEAB COC(=O)c1ccc(NCCN2CCOCC2)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 223420789 PPBSKPXTYCHBIC-UHFFFAOYSA-N 449.529 2.027 0 40 IEAB O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1 224418027 BJFSOPRUCNWTGY-UHFFFAOYSA-N 430.573 2.280 0 40 IEAB COc1ccc(OCCNC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1 225157690 QPVPVKLNJHRDLB-UHFFFAOYSA-N 436.530 2.082 0 40 IEAB CCc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 225426526 LUSIIMQRHONCCS-INIZCTEOSA-N 449.548 2.317 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 225821803 PDNAWYSSRIEBDR-UHFFFAOYSA-N 431.514 2.190 0 40 IEAB Cn1c(=O)oc2ccc(S(=O)(=O)NCC3CCN(C4CCSCC4)CC3)cc21 252570981 XMNKADHIDYYCIR-UHFFFAOYSA-N 425.576 2.017 0 40 IEAB O=C(NN=Cc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H](O)COCc2ccccc2)CC1 254840428 BKUFLSGDQZEVAA-QFIPXVFZSA-N 440.500 2.335 0 40 IEAB Cc1cc(N2CC[C@](O)(CNC(=O)CC3(CC(=O)O)CCCC3)C2)c2cnccc2n1 257267604 MIALMVBJOKWMTB-QHCPKHFHSA-N 426.517 2.421 0 40 IEAB Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)c4cccc(OCCCN)c4)C3)c2n1 257276034 NSCINTSHADNKGZ-RUZDIDTESA-N 449.555 2.379 0 40 IEAB NC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 408962094 GLTKCHVFVNYLGE-SXGWCWSVSA-N 429.429 2.365 0 40 IEAB Cn1nnc2cc(C(=O)Nc3nc4ccc(S(=O)(=O)N5CCCC5)cc4s3)cnc21 507982743 REEHXNIOAXKZRU-UHFFFAOYSA-N 443.514 2.010 0 40 IEAB O=C(O)COCC(=O)N1CCC2(CCCCc3ccccc3OCCCC(=O)NC2)CC1 643578943 KJEAUPFAQKLEPS-UHFFFAOYSA-N 446.544 2.398 0 40 IEAB COCCn1cnc2c(N3C[C@@H]4CN(C(=O)Nc5ccc(F)cc5)C[C@H]4C3)ncnc21 1888930699 VAVSEXNDANHIBZ-HUUCEWRRSA-N 425.468 2.212 0 40 IEAB Cc1ncc2c(c1O)[C@H](c1c(O)n(-c3ccc(Br)cc3)c(=O)[nH]c1=O)OC2 2100876 DHBOZPJBAVWPJE-OAHLLOKOSA-N 432.230 2.023 0 40 IEAB biogenic COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCC1 2662348 LLNWQHSAXDAOSQ-MRXNPFEDSA-N 432.498 2.050 0 40 IEAB COCCNC(=O)c1c(NC(=O)CSc2nnnn2C2CC2)sc2c1CCCC2 9218065 VUKVHMKIDBOKDV-UHFFFAOYSA-N 436.563 2.055 0 40 IEAB O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9631727 FOCMSIWQYNZXKH-UHFFFAOYSA-N 444.542 2.178 0 40 IEAB COc1ccc(Cl)cc1NC(=O)CSc1ncc(CO)n1CC(=O)NC(C)C 9827462 OUWPQLXJJQIBAN-UHFFFAOYSA-N 426.926 2.293 0 40 IEAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O 9864974 LOKWPLAYYUAUKM-HTAPYJJXSA-N 425.510 2.148 0 40 IEAB Cc1ccc(CNC(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1F 10228428 NRXCKVSRYDOXFB-UHFFFAOYSA-N 437.512 2.286 0 40 IEAB COC(=O)c1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1 10317696 HNAFAJKGBKRDNK-UHFFFAOYSA-N 439.873 2.472 0 40 IEAB O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 10577249 DAZJGIGGJQLPDK-UHFFFAOYSA-N 436.262 2.369 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12088559 SYAJQMSNCWYZCA-JKODCVPLSA-N 445.523 2.276 0 40 IEAB CCn1cc([C@H]2C[C@H](C(=O)Nc3cc(Cl)ccc3OC)N(C)S(=O)(=O)N2)c(C)n1 12130447 QNYCQGKDFPGAQW-GDBMZVCRSA-N 441.941 2.092 0 40 IEAB CSc1nc2nc(C)c(CCC(=O)N3CCN(c4ccccc4O)CC3)c(C)n2n1 12554078 ZGHJSDSLBNKSAR-UHFFFAOYSA-N 426.546 2.450 0 40 IEAB CCn1c(CCC(=O)Nc2nccs2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12556791 UFUNESPASAJVDW-UHFFFAOYSA-N 449.558 2.105 0 40 IEAB Cc1nnc(NC(=O)[C@H](C)SC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)s1 13572911 SOPQWSXVFMMTDW-UHTWSYAYSA-N 435.600 2.473 0 40 IEAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N3CCN(CCO)CC3)ccc12 13629932 KLYQQHQNHPBINX-UHFFFAOYSA-N 436.508 2.208 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(CN3CCCC3=O)c2)C1=O 14183354 HGVIFUSFFRTCSX-DEOSSOPVSA-N 434.496 2.397 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3ncccc3C(=O)NCc3ccccc3)C2)c1 19709309 BFZFBJWSVGOCSK-GOSISDBHSA-N 439.541 2.313 0 40 IEAB Cn1cnc2cc(C(=O)N[C@H]3CCc4ccc(S(=O)(=O)N5CCOCC5)cc43)ccc21 19749565 WXCSHVGSIXOJEN-IBGZPJMESA-N 440.525 2.012 0 40 IEAB Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)Nc1cccc(Cl)c1Cl)CC(=O)N2 19819957 ZJLJJHZHDPMERI-VIFPVBQESA-N 437.287 2.267 0 40 IEAB Cc1ccc(CNC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1 22249210 PMBRROBWKFTMRK-UHFFFAOYSA-N 438.933 2.365 0 40 IEAB COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)N1CCN(C)CC1 22766382 MUADVHUQSCGKFL-QGZVFWFLSA-N 436.965 2.454 0 40 IEAB CC(C)(COC[C@@H](O)CNCc1ccccc1)COC[C@H](O)CNCc1ccccc1 26897814 MGRVCATYPCDQCG-PSWAGMNNSA-N 430.589 2.347 0 40 IEAB COc1ccc(F)cc1CN1CCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)CC1 32422349 WWLMOKXHSUQZFB-UHFFFAOYSA-N 427.476 2.442 0 40 IEAB CCOC(=O)c1ccc2c(c1)n(CC(=O)Nc1ccc(F)c(F)c1)c(=O)c(=O)n2CC 32672134 HNNDIOYVUMPROF-UHFFFAOYSA-N 431.395 2.277 0 40 IEAB CN(C)CCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 38753309 IOLFUYQCYGEDNP-UHFFFAOYSA-N 446.411 2.059 0 40 IEAB COc1cccc2cc(C(=O)NCCN3CCN(C(=O)c4ccsc4)CC3)c(=O)oc12 44453515 SJMXBOUNZKGHEQ-UHFFFAOYSA-N 441.509 2.051 0 40 IEAB CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(COC[C@H]3CCCCO3)c2)C1 69458944 MNYFVUWTSJZDLJ-RTBURBONSA-N 425.551 2.318 0 40 IEAB O=C(CCNC(=O)Nc1ccc(N2CCc3ccccc32)cc1)N[C@H]1CCS(=O)(=O)C1 69738598 ISGGCWHFGUNTBM-SFHVURJKSA-N 442.541 2.196 0 40 IEAB CCn1c(CNC(=O)c2cccc(OC)c2)nnc1SCC(=O)Nc1nccs1 72191706 QHHLTZFXJHSGIZ-UHFFFAOYSA-N 432.531 2.424 0 40 IEAB CCCCN(C(=O)COC(=O)[C@H]1SCCc2sccc21)[C@H]1CCS(=O)(=O)C1 72305588 ORZGDIQBVRASBV-GUYCJALGSA-N 431.601 2.438 0 40 IEAB CCOC(=O)[C@@H]1CN(Cc2ccc(CN(C)C)cc2)C[C@]12COc1ccccc1C(=O)N2 72334317 FBVMZNZUCCVKCV-OFVILXPXSA-N 437.540 2.304 0 40 IEAB COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2ccnn2C)nc1C 72345399 VGSSFSPYPCHAAV-SFHVURJKSA-N 434.500 2.434 0 40 IEAB COc1ccc(-n2ncc3c2N(CC(=O)N2C[C@@H](C)C[C@H](C)C2)C(=O)N2CCN=C32)cc1 72347812 UTWMFRMBJOORKB-HOTGVXAUSA-N 436.516 2.388 0 40 IEAB COc1ccccc1C(=O)N1CCN(Cc2ccnc(N3C[C@H](C)O[C@@H](C)C3)n2)CC1 72348155 FKJYKIDXXGVLNV-ROUUACIJSA-N 425.533 2.057 0 40 IEAB Cc1nc([C@H]2CCCN2C(=O)CN2CCCC2=O)nc2c1CCCN2Cc1ccccn1 72372871 VSWLDRXSLSSEDJ-HXUWFJFHSA-N 434.544 2.419 0 40 IEAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)CC2=O)c1 138606275 IPEDKPJJUQTYBJ-INIZCTEOSA-N 440.452 2.441 0 40 IEAB CCc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)NCCOC)S(C)(=O)=O)cc1 220278529 VOGCCXFPCNPQQY-INIZCTEOSA-N 447.557 2.418 0 40 IEAB CCOC(=O)c1cccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 224815186 VHDAEHJBYNRCBA-UHFFFAOYSA-N 437.470 2.249 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 225421032 IVQWZDLIVXYSBG-INIZCTEOSA-N 435.521 2.063 0 40 IEAB CC(C)C[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@H](n4cnc5ccccc5c4=O)C(=O)N1[C@@H]23 248189273 JRWGMVQNKKWNRY-GCYXNMHMSA-N 444.491 2.159 0 40 IEAB biogenic,in-vitro CC(=O)N1CCN(C(=O)c2ccccc2OCCN2CCOCC2)[C@@H](c2ccccc2)C1 257203859 ARYQVAIILYAFEW-HSZRJFAPSA-N 437.540 2.443 0 40 IEAB COC[C@@H](C)NC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1cc(C)ccc1OC 408619271 GZFSXXDWZVGFPE-MRXNPFEDSA-N 436.530 2.359 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705052 XMSBOWQSSSYGDI-ZDUSSCGKSA-N 434.470 2.038 0 40 IEAB COc1cc(CN(C)C[C@@]2(O)CCN(c3ccc(F)cn3)C2)ccc1OCCN(C)C 585274632 YUNUPMANZYGULT-QHCPKHFHSA-N 432.540 2.243 0 40 IEAB CCn1nc(C)c(CCC(=O)N2CCC[C@@]2(COC(C)=O)CC(=O)N2CCCC2)c1C 643586869 GWBJWHWBFDYFHO-QHCPKHFHSA-N 432.565 2.389 0 40 IEAB Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@H](OC1CCOCC1)c1ccccc1 1636632850 BVDPBAUBGMVELA-QRWLVFNGSA-N 433.530 2.093 0 40 IEAB Cn1c(=O)c2cc(S(=O)(=O)Nc3ccc(Cc4ccncc4)cc3)ccc2n(C)c1=O 1069449 NRHJHTONDUEZOT-UHFFFAOYSA-N 436.493 2.024 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cc1S(=O)(=O)NC1CC1 9216889 ATORBCYSOCLSLD-UHFFFAOYSA-N 429.542 2.407 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(CO)cc2)c1 9285304 GRFDOOWTFKCCIH-UHFFFAOYSA-N 447.557 2.298 0 40 IEAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1nnc(C2CC2)s1 9302552 VGRRRZULUAMGOS-UHFFFAOYSA-N 429.531 2.456 0 40 IEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 9313513 WTBDXBAKDBMSHW-QGZVFWFLSA-N 444.484 2.254 0 40 IEAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCCc2ccccc2)c2cc(Br)ccc21 9340954 BXOPCAYHYQFFLH-KRWDZBQOSA-N 430.302 2.332 0 40 IEAB O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NCc1ccc2c(c1)OCO2 9416461 FVZYYZFDEUZAGL-UHFFFAOYSA-N 437.843 2.281 0 40 IEAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1 9464117 GWHOENGOOZCSQL-UHFFFAOYSA-N 445.570 2.387 0 40 IEAB COc1cc(Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3ncccc32)cc(OC)c1 9660643 DTXQZDIYFJROFU-UHFFFAOYSA-N 447.447 2.401 0 40 IEAB CCc1nn(CC(=O)N2CCC[C@@H](c3cc4nc(C)cc(O)n4n3)C2)c(=O)c2ccccc12 12134426 JODKDVSAANOSSU-MRXNPFEDSA-N 446.511 2.422 0 40 IEAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1 12791732 ADRGNTRHRBHRRA-INIZCTEOSA-N 441.962 2.478 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cc(C)ccc3C)CC2)cc1 12921921 YAJCHCPSYRIMMG-UHFFFAOYSA-N 438.571 2.444 0 40 IEAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)N[C@]1(C)CCS(=O)(=O)C1 12975943 JBQNVOLAAJNKTI-HXUWFJFHSA-N 441.571 2.244 0 40 IEAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1ccccc1Cl 13729650 OCXYILLVPPZMLU-HNNXBMFYSA-N 435.933 2.496 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1C(=O)N1CCC(C)CC1 14400384 IGSDCQZPCXMWQI-UHFFFAOYSA-N 431.514 2.467 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)CN2CCCCC2)CCO1 19702942 QVIFNZABHBOCCZ-QGZVFWFLSA-N 446.573 2.058 0 40 IEAB O=C(Cn1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1=O)Nc1ccc(F)cc1 19750117 GSUJTYOFROMCFU-UHFFFAOYSA-N 426.492 2.327 0 40 IEAB COc1ccccc1[C@@H]1N=C2NCN(n3c(C)nnc3C)CN2c2nc3ccccc3n21 20638560 OQSDEISYJFVVLR-HXUWFJFHSA-N 429.488 2.133 0 40 IEAB O=C(COc1ccc(CCO)cc1-n1nc2ccccc2n1)NCc1ccc2c(c1)OCO2 21585497 PBRZPTFHRCSVAC-UHFFFAOYSA-N 446.463 2.379 0 40 IEAB COc1ccccc1-c1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)o1 23818543 VPEJZTWABIZFCF-UHFFFAOYSA-N 431.474 2.123 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cc(OC)ccc1OC 32123784 YCGASKNDNDLWJH-LPHOPBHVSA-N 448.545 2.379 0 40 IEAB biogenic C[C@H]1CCc2c(sc(NC(=O)CN3CCN(C(=O)c4cccs4)CC3)c2C(N)=O)C1 35313063 OTZWKVHEFUHJJI-ZDUSSCGKSA-N 446.598 2.430 0 40 IEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C1 36666906 MTCOCCXFPVLDIX-OKILXGFUSA-N 441.509 2.489 0 40 IEAB NS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 40106698 SXWCGBBCXSFBBO-UHFFFAOYSA-N 428.436 2.147 0 40 IEAB CCOc1ccccc1CNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 44886276 FWLBSRSMCPLDEV-HNNXBMFYSA-N 434.514 2.327 0 40 IEAB CCOCC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 57773665 CXNPNFWYIHIFCA-FCHUYYIVSA-N 439.556 2.102 0 40 IEAB COc1ccc(CC(=O)Nc2ccc(-n3nnc(C(=O)NCC(F)(F)F)n3)cc2)cc1 71004804 BRQCAUJEZVJPRE-UHFFFAOYSA-N 434.378 2.144 0 40 IEAB CC(C)(C)OC(=O)NC1CCN(CC(=O)NCCNc2ncnc3sccc23)CC1 89662477 YPJBFMHMZBIJPY-UHFFFAOYSA-N 434.566 2.209 0 40 IEAB Cc1c(NC(=O)CSc2nnnn2[C@H]2C[C@H]3C=C[C@H]2C3)c(=O)n(-c2ccccc2)n1C 100216116 UNFRRSHMNXTETD-ZOBUZTSGSA-N 437.529 2.339 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1ccsc1NC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102330600 VAWQIHGWOSEKLB-OTRWWLKZSA-N 444.465 2.224 0 40 IEAB NS(=O)(=O)OC[C@@H]1C[C@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@H]1O 169303181 MPUQHZXIXSTTDU-STEAMIEHSA-N 443.529 2.063 0 40 IEAB COC(=O)c1cn(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c2ccccc12 222591462 MEOSBKZHPPFAIO-UHFFFAOYSA-N 430.438 2.263 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222983872 FFWGSLAFQNUPPR-LJQANCHMSA-N 449.548 2.454 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@@H]2COc3ccccc3O2)cc1C(=O)N1CCCCC1 225253380 RPZUSLFSKFUVEX-MRXNPFEDSA-N 446.525 2.440 0 40 IEAB Cc1cc(-c2cnn(C)c2)cc([C@@H]2CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)n1 257246467 IUFYSQLMQPZURG-QFIPXVFZSA-N 446.511 2.044 0 40 IEAB CCn1c(CCCC(=O)N(C)[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)nc2ccccc21 257260935 LFDIKZUKISKYHA-PQNGQFLHSA-N 428.577 2.452 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CN(C(=O)c4snnc4C)CCO3)c2)cn1 257313121 URDADUDUBOWCNI-GOSISDBHSA-N 438.513 2.185 0 40 IEAB O=C(N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)N1CCN(c2ncccc2F)CC1 508928239 RJOUEKQLMZMEIS-KRWDZBQOSA-N 439.470 2.465 0 40 IEAB CN1c2ccc(F)cc2N(CCNC(=O)c2ccc(Cn3ccnc3)cc2)S1(=O)=O 575612068 JZFUDEWSSVPHNE-UHFFFAOYSA-N 429.477 2.002 0 40 IEAB Cn1cnc(CNC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)n1 604404352 FJUWRWROLLSWKV-OAQYLSRUSA-N 430.468 2.027 0 40 IEAB biogenic Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1Cc2ccccc2C2(CCN(C)CC2)C1 1623497323 GKINZXKYSWMTAX-UHFFFAOYSA-N 431.558 2.458 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CC3(C[C@@H](NCc4cccnc4)CS3)C2)c1 2056224841 YPRGWGPZCZVXOQ-MRXNPFEDSA-N 435.571 2.137 0 40 IEAB NC(=O)COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2399881 RGFIBOJJHMMWEH-HRAATJIYSA-N 434.448 2.381 0 40 IEAB COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCCCOC(C)=O 2956974 LNPASAMMBXDZIP-PDGQHHTCSA-N 440.452 2.264 0 40 IEAB CCOc1ccccc1N1CCN(C(=O)CNC(=O)c2ccc(OC)c(OC)c2)CC1 5694493 LKQYRLFCUYEYER-UHFFFAOYSA-N 427.501 2.181 0 40 IEAB CCOc1cc(N2CCOCC2)c(OCC)cc1N[C@H](C)C(=O)N1CCN(CC)CC1 5902891 MHWPGOMUXOUQNJ-GOSISDBHSA-N 434.581 2.285 0 40 IEAB COc1ccc2nc(SCC(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)C3)[nH]c2c1 6150622 DHPRCWNOVMLXQY-UHFFFAOYSA-N 446.554 2.463 0 40 IEAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 8848918 MXQKWQMBFYLNOS-UHFFFAOYSA-N 449.364 2.353 0 40 IEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc2O1 8877915 HAESEPFMXRAYQX-CABCVRRESA-N 438.480 2.322 0 40 IEAB biogenic CON(C)S(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)cc1 9256781 IJGUVUZZIJHUKY-UHFFFAOYSA-N 446.460 2.114 0 40 IEAB O=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)N1CCOCC1 9831301 HFXAQROVSHINMO-UHFFFAOYSA-N 435.459 2.023 0 40 IEAB COc1ccc(Br)cc1CN(C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 9986350 CDMXZQIHSCJRMO-UHFFFAOYSA-N 442.335 2.176 0 40 IEAB COc1cc(/C=C/C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc(OC)c1OC 12889280 CGVGPGHSHUJHFD-RMKNXTFCSA-N 425.441 2.416 0 40 IEAB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2)[C@H]1CCS(=O)(=O)C1 13038872 ZZLNWVHAVWJXLG-HNNXBMFYSA-N 430.526 2.306 0 40 IEAB C[C@H](C(=O)N[C@@H]1CCc2ccccc21)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 19079996 SCTYIIANCMSUBI-ZCLJVBCSSA-N 433.512 2.138 0 40 IEAB COc1ccc(CCNC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)cc1OC 19560613 RUOOWPRGWGKLRZ-LJQANCHMSA-N 437.496 2.014 0 40 IEAB biogenic COc1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)Cc2cn(C)nc21 19701586 FOBUWHNHEQOTLD-QGZVFWFLSA-N 426.498 2.356 0 40 IEAB CCN(CC)CC(=O)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19703957 XFPDDVZEZMOZTC-INIZCTEOSA-N 430.574 2.426 0 40 IEAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1N1CCCC1=O 20110731 YSKVDJFTCZNAIP-UHFFFAOYSA-N 426.498 2.486 0 40 IEAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)NCc3ccccn3)[C@H](O)[C@H]2[C@@H]1C 20466812 UONWEASBIGJGCX-SICCFQPGSA-N 431.577 2.288 0 40 IEAB biogenic,in-vitro O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCN(CCN2CCCC2)CC1 23252163 KOCNGBTWIJGXNN-UHFFFAOYSA-N 431.540 2.239 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CCCn2cnc3c(C)cccc3c2=O)C1=O 24616784 KJJITAIIVLXVRJ-XMMPIXPASA-N 447.495 2.374 0 40 IEAB O=c1n(CCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)nc2ccccn12 32777990 WFYWWRNTWMRZJR-UHFFFAOYSA-N 426.830 2.385 0 40 IEAB Cc1nc(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c2c(C)c(C)sc2n1 32829885 ZUKIQVCAWYMUAW-CHWSQXEVSA-N 439.607 2.093 0 40 IEAB COc1ccc(/C=c2/sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)cc1OC 33717525 YVBSYEVONRDKCL-VCHYOVAHSA-N 441.896 2.320 0 40 IEAB O=C(CN1CCN(C(=O)CCNC(=O)Nc2ccccc2)CC1)Nc1ccc(F)cc1 36384682 RUTJLZXZUZXQDK-UHFFFAOYSA-N 427.480 2.120 0 40 IEAB O=C(NCc1cccc(Cn2cccn2)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 59850682 FFINMFXEJBEAJF-UHFFFAOYSA-N 439.541 2.148 0 40 IEAB COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2C(=O)c2ccnn2C)nc1C 72345400 VGSSFSPYPCHAAV-GOSISDBHSA-N 434.500 2.434 0 40 IEAB COCCc1noc(Cn2cc(-c3nc(-c4ccc(OC)c(F)c4)no3)ccc2=O)n1 77100786 MJBYVYDHMJBCMV-UHFFFAOYSA-N 427.392 2.333 0 40 IEAB Cc1nn2c(O)c3c(nc2c1-c1ccccc1)CN(C(=O)C[C@@H]1CCS(=O)(=O)C1)C3 100215347 TYLMXVUBVRJXHU-AWEZNQCLSA-N 426.498 2.077 0 40 IEAB CC(=O)Nc1ccc2c(COC(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc(=O)oc2c1 101646910 NALNCYMDIAYEQL-UYHISHBKSA-N 440.452 2.358 0 40 IEAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 104571728 REAZZXJHCAYFSL-MSOLQXFVSA-N 446.429 2.205 0 40 IEAB Cc1cccc(N2C(=O)[C@H]3C[C@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C=C[C@H]3C2=O)c1 221844048 ZQSQZUXEKWFBQC-AQNXPRMDSA-N 430.464 2.002 0 40 IEAB CN(C(=O)Cn1ccnc1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O 257306393 SUDMIESDFWTAFU-MRQKEVAZSA-N 427.545 2.339 0 40 IEAB CS(=O)(=O)N1CCC[C@H](c2nc(C(=O)NCCOc3ccccc3)c3ccccn23)C1 306143398 YBJCQDQIFIZLQU-KRWDZBQOSA-N 442.541 2.282 0 40 IEAB CCOCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1 409121095 YFEAIHBEQMCKCL-UHFFFAOYSA-N 436.530 2.442 0 40 IEAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 578580398 DJRFHIIUGTWCAR-HXUWFJFHSA-N 448.527 2.168 0 40 IEAB Cc1cccc(-n2cnc3cc(C(=O)NCc4ccc(C(=O)NCC(N)=O)cc4)ccc32)c1 1625865540 YFXMYOUAPLFYIA-UHFFFAOYSA-N 441.491 2.479 0 40 IEAB CN([C@H]1CCN(c2ccc3nnc(C(F)(F)F)n3n2)C1)S(=O)(=O)Cc1ccccc1 1888913759 DQBNCCILFHKXHA-AWEZNQCLSA-N 440.451 2.184 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)cc1 3174202 UVCJXNUTOIAVMW-INIZCTEOSA-N 446.525 2.275 0 40 IEAB Cc1cc(C)c2c(c1)[C@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 5205151 UAOHXMBTDCHQGE-XPBGTVIKSA-N 425.529 2.127 0 40 IEAB CCOC(=O)C1=NN[C@]2(c3ccccc3)C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 8451491 LTZMZVNKGSZTKP-QRWLVFNGSA-N 442.269 2.356 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C 8918932 YGRIZZBXPQVILS-UHFFFAOYSA-N 435.502 2.081 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 9394271 GEIHAXJXUAKFRN-UHFFFAOYSA-N 438.571 2.397 0 40 IEAB O=C(NCCc1ccc2c(c1)OCCO2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 9449623 HZYXXFNCAMIBJM-SFHVURJKSA-N 434.489 2.109 0 40 IEAB CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(C)(C)N1 9612630 JHPJFZSKESDFES-UHFFFAOYSA-N 440.635 2.303 0 40 IEAB O=C(NCc1nnc2ccccn12)c1cccc(S(=O)(=O)NCc2cccs2)c1 9614012 BNQRUWNSMLGGHT-UHFFFAOYSA-N 427.511 2.199 0 40 IEAB CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 9634791 SZGAILVUSXZRPU-UHFFFAOYSA-N 425.532 2.339 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(C)Cc1sccc1C 9821874 LOGWCOYKXJZYPG-UHFFFAOYSA-N 437.587 2.456 0 40 IEAB COc1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 10188083 HMDXLULYVPYRAF-UHFFFAOYSA-N 437.949 2.230 0 40 IEAB COC(=O)c1sc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C(=O)OC)c1C 10284484 JYQNIKRQBYJMCM-UHFFFAOYSA-N 434.257 2.132 0 40 IEAB Cc1nc(S[C@@H](C)C(=O)NC2CCCCC2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1 10525635 UAJZWBNMVIYBFD-ZDUSSCGKSA-N 433.578 2.384 0 40 IEAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1 10586541 KVDRCGNOWMWPIY-AWEZNQCLSA-N 432.498 2.344 0 40 IEAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11252346 KDLZGZNCENBGEE-UHFFFAOYSA-N 426.860 2.499 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc2ccccc2oc1=O 11341465 PYCXKVHOFUWSEU-UHFFFAOYSA-N 444.465 2.147 0 40 IEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCc1nnc2ccccn12 11915130 BVNPOEDFQWHUTI-UHFFFAOYSA-N 432.410 2.094 0 40 IEAB COC(=O)c1ccc(N2C[C@@H](C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)CC2=O)cc1 12391591 PYIVWGZFDQPETM-ROUUACIJSA-N 447.495 2.275 0 40 IEAB O=C(NCCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccccc1Cl 14237985 RSPSHWLFYIIRAU-UHFFFAOYSA-N 434.968 2.007 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1 19709647 LDMGZMKESZRGMK-GOSISDBHSA-N 431.581 2.312 0 40 IEAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CC(=O)N2Cc1cccc(F)c1 19739686 QABGEUMCDHLVJV-SFHVURJKSA-N 447.536 2.347 0 40 IEAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)N2CCOCC2)ncc1C(=O)Nc1ccccc1 19755906 XGCVOTMMRXROPD-IBGZPJMESA-N 445.545 2.141 0 40 IEAB COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=S)NC(C)=O)c1 21577366 BRAYFVHCEHGTTD-UHFFFAOYSA-N 440.525 2.269 0 40 IEAB Cn1c(=O)c2ccccc2n2c(COC(=O)c3ccc4c(c3)NC(=O)CCS4)nnc12 22112179 XEFJXAQPTCLZJH-UHFFFAOYSA-N 435.465 2.373 0 40 IEAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(Cc2cccc3ccccc23)CC1 23881904 IGCMLKWMRZXMJS-UHFFFAOYSA-N 428.492 2.187 0 40 IEAB CN(C)S(=O)(=O)c1cc(C(=O)OCc2ncc(Cl)n2C)ccc1Br 28121732 CKOLXRHDDWURHK-UHFFFAOYSA-N 436.715 2.443 0 40 IEAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 32910778 GMCAFQNDOXYVNC-MRXNPFEDSA-N 429.904 2.350 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc2ccccc2c(=O)[nH]1 32911018 IVYJHRLGWDPNHB-UHFFFAOYSA-N 432.527 2.213 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)cc1OC 33219379 QXNHSSOIJNOOFV-UHFFFAOYSA-N 429.498 2.332 0 40 IEAB O=C(Nc1ccccc1-n1cncn1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 48333258 APYXZHBXNRBNTF-UHFFFAOYSA-N 444.492 2.381 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 56907922 OIXSUSACRMNBHK-GOSISDBHSA-N 441.557 2.303 0 40 IEAB Cc1ccc(O)c(S(=O)(=O)N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)c1 58406723 QIGJJIJTOFCTGP-UHFFFAOYSA-N 430.526 2.101 0 40 IEAB Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NC(=O)N[C@H](C)CCc2cccn2C)c1 89702534 OZSVFPAXNCNMGB-OAHLLOKOSA-N 430.534 2.309 0 40 IEAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2cc(C)oc2C)CC3)C1=O 96262819 XXGXGICKBQCYOA-HSZRJFAPSA-N 430.549 2.355 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1ccc(F)cc1F 220098500 MJJYHBVAIQOARV-UHFFFAOYSA-N 428.442 2.159 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223978576 XURSTAFGPJQRHH-KRWDZBQOSA-N 447.557 2.015 0 40 IEAB CSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)s1 224386936 HKYKCPWPGOTBFZ-UHFFFAOYSA-N 434.952 2.187 0 40 IEAB COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225109862 FMJCYLLGXGEXSK-UHFFFAOYSA-N 425.434 2.298 0 40 IEAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccc(F)c3)C2)C(=O)N1Cc1ccccc1Cl 225391882 GDYXKESEBYIJIA-QUCCMNQESA-N 443.906 2.038 0 40 IEAB biogenic,in-vitro COCCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1 257208253 BLIMODRQNUBBBG-HTDNTCHWSA-N 428.504 2.286 0 40 IEAB O=C(CN1CCCCC1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257239610 HQCNLHVCIQOVNM-SONWIMMPSA-N 429.605 2.162 0 40 IEAB CNC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)CN4CCC(C)CC4)CCO3)n2)cn1 257278731 ODKQZMVOIYGURR-QFIPXVFZSA-N 437.544 2.135 0 40 IEAB Cc1ncncc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257306134 STBLOFJXGCDZOJ-LSQMVHIFSA-N 438.572 2.213 0 40 IEAB CN(Cc1ccccn1)C(=O)c1nc([C@@H]2CCCN(S(C)(=O)=O)C2)n2ccccc12 306131982 KUSNTORNACLLHA-MRXNPFEDSA-N 427.530 2.141 0 40 IEAB CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OCC 408587934 UXWYEJCFRPXZKE-UHFFFAOYSA-N 443.503 2.102 0 40 IEAB COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3OC)CC2=O)c1 408653258 DVYSNRUPOXLCES-AWEZNQCLSA-N 428.441 2.247 0 40 IEAB Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)c1 536072770 ZIHXEKMVMVAZGW-MRXNPFEDSA-N 432.502 2.195 0 40 IEAB CCOc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)cc1 916322 HHCLDRJGEZWKJS-UHFFFAOYSA-N 435.521 2.339 0 40 IEAB COc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 932310 OYUKXBPVRSQXPF-UHFFFAOYSA-N 429.458 2.182 0 40 IEAB 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Cc1cc(C)cc(N2C[C@H](O)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1 9243408 XWFIIYOKQANRFC-IBGZPJMESA-N 449.486 2.214 0 40 IEAB CCCn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Br)cc1)C1=C(COC1=O)N2 9283073 CVCMWYVZDPJNHJ-CYBMUJFWSA-N 432.274 2.088 0 40 IEAB Cc1ccccc1NC(=O)C[C@H]1C(=O)Nc2ccccc2N1CC(=O)NC[C@@H]1CCCO1 9643022 RFVNLPMYWWKNER-UWJYYQICSA-N 436.512 2.446 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ncccn2)cc1 10254937 QTPQUOFUIMLXFW-UHFFFAOYSA-N 440.481 2.365 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCCOc2ccc3nnc(-c4ccccc4)n3n2)cc1 11694534 UMVSFKGOLRLTPW-UHFFFAOYSA-N 437.481 2.351 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 11752017 BZYBAAXJOQJLLQ-UHFFFAOYSA-N 429.454 2.453 0 40 IEAB CCN(C(=O)c1cccc(OC(F)F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13040615 WGDGTPBHUWVJAG-UHFFFAOYSA-N 430.411 2.435 0 40 IEAB CCc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)nn12 13848093 JLTCNXCFVVECHC-UHFFFAOYSA-N 426.546 2.076 0 40 IEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1=O 14162871 HZWOAMNQXWDRMM-QHCPKHFHSA-N 438.484 2.193 0 40 IEAB COc1cc2c(cc1CNCc1ccc(S(=O)(=O)N3CCOCC3)cc1)O[C@@H](C)C2 17317553 BXNGCYNAKRBRRW-INIZCTEOSA-N 432.542 2.329 0 40 IEAB COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)cc(=O)[nH]2)CC1 19592749 JRYJNXRESOPTEF-SFHVURJKSA-N 430.549 2.019 0 40 IEAB CC(=O)N1C[C@H](c2ccc(CN(C)C(=O)c3nc4ccc(C)cc4[nH]3)cc2)[C@@H](C(N)=O)C1 19698795 FJONKJVCTMVJAW-MOPGFXCFSA-N 433.512 2.191 0 40 IEAB Cc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)nc2c1CC(=O)N2C 19739800 QOKURJTYJGJSTI-MRXNPFEDSA-N 435.484 2.391 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 22227912 CDCVMIJTOOCRNS-UHFFFAOYSA-N 426.560 2.293 0 40 IEAB Cn1nc2n(Cc3ccccc3)c(=O)c3ccc(C(=O)NC4CCCCC4)cc3n2c1=O 23126229 PDXUTGDIDINFRO-UHFFFAOYSA-N 431.496 2.459 0 40 IEAB CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCC(C(N)=O)CC1 24829037 XENNSBVEMBFEGF-MLGOLLRUSA-N 449.495 2.122 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)c2ccc(OC)c(C)c2)c1 28209988 VPBSAIIYXSCLGP-KRWDZBQOSA-N 448.497 2.339 0 40 IEAB CNC(=O)[C@H]1CN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c2ccccc2O1 29767687 UCMDIERRFGSUIU-VDZCTEQFSA-N 433.508 2.479 0 40 IEAB COc1cccc2ccn(CC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c12 32100388 MJXMDHHUULTCRG-UHFFFAOYSA-N 431.489 2.322 0 40 IEAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1 35598179 LCZGVVJFUKIAOD-UHFFFAOYSA-N 438.435 2.192 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@H]1c1cc(OC)ccc1OC 36589772 YCGASKNDNDLWJH-VQIMIIECSA-N 448.545 2.379 0 40 IEAB biogenic CSc1nc(C)c(CCC(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1 40150239 BZKOFWBMCGPHAU-UHFFFAOYSA-N 437.610 2.417 0 40 IEAB CCOC(=O)N1CCC(NC(=O)CCn2nc(-c3cccc(OC)c3)ccc2=O)CC1 41254142 LWMHOPJGLWXSJX-UHFFFAOYSA-N 428.489 2.046 0 40 IEAB CC1CCN(S(=O)(=O)c2cccn(CC(=O)NCc3ccccc3Cl)c2=O)CC1 49409185 OINPDFUPGYJYKT-UHFFFAOYSA-N 437.949 2.239 0 40 IEAB COc1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1OC 67336767 YKQJZDVMWUKLFU-UHFFFAOYSA-N 428.420 2.399 0 40 IEAB O=C(CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)Nc1ccccn1 79111971 BDZZJPWSPCWPPX-UHFFFAOYSA-N 428.445 2.390 0 40 IEAB O=C(Cn1nc2c(cc1=O)CCCC2)NCC1(Cc2nnc3ccccn23)CCCCC1 96345031 SBPHTSJKMYZFFG-UHFFFAOYSA-N 434.544 2.474 0 40 IEAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(OC)c(C(=O)NC)c1 223905191 AYWZRNQHNJPHHA-UHFFFAOYSA-N 436.515 2.377 0 40 IEAB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc21 224922142 AJRYLDPKSQADQI-UHFFFAOYSA-N 437.543 2.182 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nnc(-c3ccccc3)s2)cc1OC 225859910 JQFCYZQUIPJPIH-UHFFFAOYSA-N 448.526 2.482 0 40 IEAB CCOC(=O)c1ccc(N2C[C@H](C(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)CC2=O)cc1 257198477 AEBMYMPXDVBZOF-QXAKKESOSA-N 449.507 2.024 0 40 IEAB CC(=O)N1CCN([C@H]2CCN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC[C@@H]2O)CC1 257222958 DVHIJBUQMZDQBM-PMACEKPBSA-N 429.492 2.215 0 40 IEAB CC(C)c1nc2ccccc2n1CC(=O)N[C@H]1CCC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257285581 PHWCIEBCXFYAPV-KNBMTAEXSA-N 448.531 2.153 0 40 IEAB COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1 408615275 OHMYYDIQVRVMBW-MRXNPFEDSA-N 443.475 2.349 0 40 IEAB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408662815 PPVIJDUFZGQBTG-GNTOHDJUSA-N 449.301 2.270 0 40 IEAB O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccncc1 409137926 YOSKARTUOJYFRJ-UHFFFAOYSA-N 425.510 2.298 0 40 IEAB C[C@@]1(c2ccc(-c3noc([C@@H]4CCN(c5ccc(F)cc5)C4=O)n3)cc2)NC(=O)NC1=O 544913592 IFAGPLZUFHMSEL-AOMKIAJQSA-N 435.415 2.451 0 40 IEAB COCCN(CCOC)S(=O)(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 642193636 VVXIBJBNKPESJX-GHMZBOCLSA-N 430.411 2.325 0 40 IEAB Cc1cc(C)n(-c2cc(N3CCN(CCCN4C(=O)c5ccccc5C4=O)CC3)ncn2)n1 2087159641 MYCSWFIJCSQUPS-UHFFFAOYSA-N 445.527 2.087 0 40 IEAB CCc1ccc(OC[C@@H](O)Cn2c(S[C@H](C)CC)nc3c2c(=O)[nH]c(=O)n3C)cc1 655183 DFIFKJGHEUERIK-HIFRSBDPSA-N 432.546 2.316 0 40 IEAB NS(=O)(=O)c1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1786188 NSSUJFWXAHDTDQ-UHFFFAOYSA-N 426.281 2.419 0 40 IEAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)NCC(F)(F)F 3341992 SUCQNLNHJUJMJH-UHFFFAOYSA-N 442.415 2.273 0 40 IEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 8862197 SHWYLGLZQQBMLC-UHFFFAOYSA-N 439.497 2.498 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)c2csc(NC(=O)c3ccccc3)n2)cc1 8873209 XRSLWYYIEQUFKF-UHFFFAOYSA-N 430.511 2.015 0 40 IEAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)NN1C(=O)NC2(CCCCC2)C1=O 9481228 XZARMMFEVXFSOS-UHFFFAOYSA-N 441.517 2.053 0 40 IEAB C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(-c4cccnc4)n3N)c2C(N)=O)C1 9507045 JUDYRMCAKJZBIY-SNVBAGLBSA-N 443.558 2.070 0 40 IEAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5ccccc5F)CC4)ncnc32)c1 9850787 SOVLWYISPGGHIA-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB Cc1ccn2c(=O)cc(COC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)nc2c1 10777439 GRSGLFAKDUIQQJ-AWEZNQCLSA-N 427.482 2.071 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)C1=O 11904142 STYIDZBGOMAJPU-CQSZACIVSA-N 447.538 2.001 0 40 IEAB Cc1ccc2c(c1)CN(S(C)(=O)=O)C[C@@]1(CCCN(C(=O)c3c(C)noc3C)C1)O2 12087196 MKLWYUOKPZRCIE-NRFANRHFSA-N 433.530 2.429 0 40 IEAB Cn1ccnc1[C@@]1(O)COC2(CCN(C(=O)c3ccc(OC4CSC4)cc3)CC2)C1 12116242 PLCPEPZSXIWKJC-QFIPXVFZSA-N 429.542 2.197 0 40 IEAB Cc1ccc(-n2ncc3c(C)nn(CC(=O)Nc4ccc(C(N)=O)cc4)c(=O)c32)cc1C 12228842 NYVZAJLZUCYDNY-UHFFFAOYSA-N 430.468 2.245 0 40 IEAB Cc1cccc(-n2ncc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)cnc32)c1C 12237815 LHTCHXOWSBUMEY-UHFFFAOYSA-N 431.452 2.244 0 40 IEAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2 12239807 HCHXQGHAOSBCSQ-VQIMIIECSA-N 436.560 2.484 0 40 IEAB CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3CCN(c4ccccc4F)CC3)cnc21 12440112 HVLROYDIJPIXJO-UHFFFAOYSA-N 426.496 2.226 0 40 IEAB COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1 12881420 PEJFUHGJAAFHGY-UHFFFAOYSA-N 429.542 2.129 0 40 IEAB O=C(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12974166 BBXCLCZJGLVLBG-UHFFFAOYSA-N 438.452 2.273 0 40 IEAB COCCn1nnnc1[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 13504230 IWKYMFKIHNPHHE-SFHVURJKSA-N 430.896 2.113 0 40 IEAB C[C@H](OC(=O)CCNC(=O)CCC(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 16699178 SCCSJUBQQJZJMP-HNNXBMFYSA-N 440.452 2.455 0 40 IEAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CCS(=O)(=O)C1 16716857 JUGLKGSYCWECFY-QFBILLFUSA-N 433.530 2.070 0 40 IEAB CCN(CC)c1nc(Cl)nc(NCCOC(=O)NS(=O)(=O)c2ccc(C)cc2)n1 16855455 MPNVWXNOBOFBEM-UHFFFAOYSA-N 442.929 2.207 0 40 IEAB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)N1c2ccccc2NC(=O)C1(C)C 16931989 RVMSHLYLTGGDRW-ZDUSSCGKSA-N 434.452 2.161 0 40 IEAB CCS(=O)(=O)N1CCCc2cc(NC(=O)CN3C(=O)c4ccccc4C3=O)ccc21 17316363 HRWIMOJKBKEDNH-UHFFFAOYSA-N 427.482 2.024 0 40 IEAB CCOC(=O)C1=C(COC(=O)/C=C/c2ccc3c(c2)OCO3)NC(=O)N[C@H]1c1ccco1 18225665 PRGZZOIQYCTWHN-IEJURRBGSA-N 440.408 2.436 0 40 IEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Cn1cccc(C(=O)NC2CCCCC2)c1=O 19750537 QCGQWJPVLCEOCV-OAHLLOKOSA-N 427.549 2.009 0 40 IEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1 19767010 DUYRNMBERHTHJT-LJQANCHMSA-N 447.561 2.057 0 40 IEAB CN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 23804992 ULOIETZIXJZUBO-SFHVURJKSA-N 436.512 2.265 0 40 IEAB CC(C)NC(=O)Nc1cccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)c1 24780026 OWRPNDBTJBDFAY-UHFFFAOYSA-N 434.504 2.155 0 40 IEAB O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 27394628 ZPRPCZHKVQXNON-FQEVSTJZSA-N 447.532 2.245 0 40 IEAB Cc1cc(=O)n2nc(-c3ccccc3)cc2n1C[C@H](O)CN1C(=O)c2ccccc2C1=O 28916485 PSGLLLBRSOYFCZ-KRWDZBQOSA-N 428.448 2.129 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 32753070 RYHKXMPLEKFWQK-UZLBHIALSA-N 448.516 2.311 0 40 IEAB CCc1cccc(CC)c1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC 35312952 NIIPCEPEEADSPW-UHFFFAOYSA-N 429.546 2.309 0 40 IEAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 36395037 DWFBHLHENSKVNF-HKUYNNGSSA-N 428.510 2.240 0 40 IEAB CC(C)CCC[C@H](C)NC(=O)CSc1nnc(CCC(N)=O)n1C[C@H]1CCCO1 36692618 YCAKFVJTQDOKNW-JKSUJKDBSA-N 425.599 2.298 0 40 IEAB CC[C@]1(c2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2)CCC(=O)NC1=O 58225020 XXACIAJHERWDCA-JOCHJYFZSA-N 443.525 2.274 0 40 IEAB CN(C)C(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[C@]2(CCNC2=O)C1 96262562 YOSFRTUOGCOTFK-OAQYLSRUSA-N 433.940 2.458 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cc2n1 100138957 KDHRQKGQHJOMBA-GOSISDBHSA-N 441.513 2.043 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 102408620 NWSJRKVKWADPHV-YXAMBPQSSA-N 443.916 2.496 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)CC1 220711422 IXKUARDHRWZEMV-MRXNPFEDSA-N 445.969 2.494 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)s1 223012927 YHNBUQQCPBNQFB-UHFFFAOYSA-N 442.910 2.411 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCCN4CCOCC4)ccc32)cc1 223069789 SYWMQDBFQCVPDO-UHFFFAOYSA-N 443.569 2.199 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCC1(c3ccccc3)CCOCC1)O2 223983557 JKRLCYNUJCYIQD-NRFANRHFSA-N 444.553 2.387 0 40 IEAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)s1 224173770 AEZRWUZNSPEESO-UHFFFAOYSA-N 431.499 2.227 0 40 IEAB CC[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O 224567670 IPNLWQAXCBQTBR-JOCHJYFZSA-N 445.585 2.380 0 40 IEAB Cc1ccc(OCCNC(=O)Cn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc32)cc1 408567899 QGQFIXOKCPSTSC-UHFFFAOYSA-N 449.507 2.186 0 40 IEAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)c1 408589302 DYCXCTRCTAHLBA-UHFFFAOYSA-N 447.557 2.013 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408666812 SPRZWOHHISOCOD-XJSUSFSXSA-N 447.285 2.126 0 40 IEAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 575425712 HNKZFYLKDRLUSG-INIZCTEOSA-N 442.946 2.366 0 40 IEAB CNc1nc(NCCC(=O)N2CCC[C@H](C)C2)nc(NCCC(=O)N2CCC[C@H](C)C2)n1 1120855474 LZASKJLTURFXBY-IRXDYDNUSA-N 446.600 2.034 0 40 IEAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)C(C)C)CC1 8918314 HTBVVKNIEQSHHZ-XIRDDKMYSA-N 441.569 2.390 0 40 IEAB biogenic C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 9056878 VXMGFOJPPGFDJM-UUOWRZLLSA-N 435.480 2.419 0 40 IEAB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2F)n1 9113980 KVFPJMKVYITJAZ-UHFFFAOYSA-N 430.255 2.118 0 40 IEAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1 9260764 YCZUIKMLZSLHKU-UHFFFAOYSA-N 446.558 2.178 0 40 IEAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1 9262912 OFIRTFIZRGRBJS-UHFFFAOYSA-N 439.497 2.344 0 40 IEAB CCOc1ccc(N[C@@H](C(=O)OC)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 9313629 JNPXFWJTGPULOG-HXUWFJFHSA-N 434.514 2.432 0 40 IEAB Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCCN1CCC(Cc2ccccc2)CC1 9421088 FNNRAOGPCNAWDN-UHFFFAOYSA-N 434.544 2.329 0 40 IEAB CCN(C(=O)CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 9429902 DCJJDKOQSWBMFL-BUYRESAOSA-N 442.946 2.412 0 40 IEAB O=C(NC[C@H]1COc2ccccc2O1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 9518886 MGKIZAXYPHXFOT-KRWDZBQOSA-N 447.491 2.403 0 40 IEAB Cc1ccnn1-c1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 9575910 HYFGODRNDXYYGO-QFIPXVFZSA-N 432.480 2.447 0 40 IEAB COc1cccc(-n2nnc3c(N4CCN(C(=O)Cc5ccccc5)CC4)ncnc32)c1 9851045 XJOVAUVVGQIXIN-UHFFFAOYSA-N 429.484 2.110 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)C2)c2sccn12 12087566 AOIKQRZFGSZXKL-AWEZNQCLSA-N 434.543 2.137 0 40 IEAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 12913518 GEOJRMKQAWZLQB-KRWDZBQOSA-N 434.968 2.005 0 40 IEAB CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 13059888 XTEZIMMVWMZNAX-UHFFFAOYSA-N 433.530 2.425 0 40 IEAB COc1ccccc1-c1nnc2ccc(OCCNS(=O)(=O)c3ccc(C)cc3)nn12 13539601 AXIZWQAHRDGMNV-UHFFFAOYSA-N 439.497 2.466 0 40 IEAB COc1cc2nc(CN3CCN(c4cc(C)nc(C(C)C)n4)CC3)[nH]c(=O)c2cc1OC 15032772 STPRPIKPAMEAFK-UHFFFAOYSA-N 438.532 2.484 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1S(=O)(=O)NC(C)C 16575476 CSBGDDVJZMKXEA-UHFFFAOYSA-N 435.521 2.483 0 40 IEAB C[C@@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 16864450 XHDKLAGICDCXBN-CQSZACIVSA-N 449.467 2.143 0 40 IEAB COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3ccc(OC)cc3OC)n2)cc1 16954197 QNXPEJPBTCTXQN-UHFFFAOYSA-N 438.440 2.160 0 40 IEAB CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)CN3CCCCCC3)[C@@]21C 19450048 VSIUCGUOBGVCMW-DCLXLUIPSA-N 439.560 2.112 0 40 IEAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)c3cnn(C)c3C)CCO2)cc1 19692796 IULOIUKGZPXNTD-FQEVSTJZSA-N 436.516 2.474 0 40 IEAB Cc1cnc(NC(=O)CN2CCO[C@@]3(CC=CCN(CCc4ccccc4)C3=O)C2)s1 19704441 RNOBMLUARZVPPC-QHCPKHFHSA-N 440.569 2.492 0 40 IEAB CNc1nc([C@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)nc2c1CN(C(C)=O)CC2 19710529 LNJYWTQXXHOAEC-SFHVURJKSA-N 437.544 2.380 0 40 IEAB COc1ccccc1CC(=O)N1CCC[C@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19760879 QPEHTRQTLWQJHL-IBGZPJMESA-N 425.533 2.436 0 40 IEAB CC(=O)NCCNc1nc2c(S(=O)(=O)c3cc(C)ccc3C)nnn2c2ccccc12 20355992 MXBWNRVPQYKIJF-UHFFFAOYSA-N 438.513 2.275 0 40 IEAB CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 20614320 DGDOPJPVICAXSV-FQEVSTJZSA-N 438.528 2.021 0 40 IEAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 27538871 FFOCXXRQYFKYBM-XOBRGWDASA-N 431.439 2.276 0 40 IEAB COc1ccc(OC)c(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3F)CC2)c1 30107403 GRKLBWRFRLCADR-UHFFFAOYSA-N 447.482 2.446 0 40 IEAB COCCNC(=O)CSc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3 32670211 VDYFPCWZUCIAMQ-UHFFFAOYSA-N 436.603 2.257 0 40 IEAB C[C@H](OC(=O)C1CCN(c2ccc(C(N)=O)cn2)CC1)C(=O)Nc1ccc2c(c1)CCC2 32873908 BQGQGUZRWJLCPL-HNNXBMFYSA-N 436.512 2.456 0 40 IEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1 33047624 CSNFOGGNFUDNCV-UHFFFAOYSA-N 440.490 2.462 0 40 IEAB O=C(CN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1)Nc1cccc(F)c1 35392598 AJTBOHRNGXTLMJ-UHFFFAOYSA-N 438.503 2.278 0 40 IEAB Nc1nc(Cl)cc(N2CCN(Cc3nc(=O)c4c5c(sc4[nH]3)CCCC5)CC2)n1 40067565 DSTBXNXXTIRERF-UHFFFAOYSA-N 431.953 2.211 0 40 IEAB COC(=O)c1cc(-c2csc(NC(=O)[C@H]3CS[C@]4(C)CSCC(=O)N34)n2)c[nH]1 40150373 IXZFRPAEPQAXFC-SJKOYZFVSA-N 438.556 2.270 0 40 IEAB Cc1nc(COc2ccc(C(=O)NCc3ccc(N4CCCN(C)CC4)nc3)cc2)no1 48310100 LBIZMTMGJICERD-UHFFFAOYSA-N 436.516 2.424 0 40 IEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCc1cc(F)cc3c1OCOC3)C2=O 58394115 BBOCSSLTCWSUSM-LFVRLGFBSA-N 447.507 2.488 0 40 IEAB CN(CC(=O)NC(C)(C)C)C(=O)CS(=O)(=O)c1ncc(-c2ccccc2)n1C1CC1 62581977 WBSAOOQPSZWVJM-UHFFFAOYSA-N 432.546 2.032 0 40 IEAB Cc1cccc(C(=O)N2CCSCC2)c1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 65562830 BZOHKPSRHMGFAB-UHFFFAOYSA-N 447.538 2.316 0 40 IEAB Cc1nc(-c2cccc(F)c2)n(CC(=O)NCc2ccc(F)cc2F)c(=O)c1CCO 67316906 SJNJOAIFCUHVKH-UHFFFAOYSA-N 431.414 2.487 0 40 IEAB Cn1ccnc1CN1C(=O)CO[C@H](c2ccc(NC(=O)NCc3ccccc3)cc2)[C@H]1CO 72321481 KSKWENWHASHCRI-NFBKMPQASA-N 449.511 2.203 0 40 IEAB biogenic,in-vitro COC(=O)c1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)sc1CC(C)C 85878758 NTCAUWYCZGOJQK-ZDUSSCGKSA-N 430.486 2.208 0 40 IEAB biogenic O=C(NCCc1ccncc1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95480640 ZVTPICDHTLONMH-CYBMUJFWSA-N 428.290 2.432 0 40 IEAB Cc1ccccc1C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 96251468 VSJFYDGTBGAIMW-CPJSRVTESA-N 449.555 2.003 0 40 IEAB Cc1cccc(CN2CCn3c(nn(Cc4nc(Cc5ccccc5)no4)c3=O)C2=O)c1 98213107 YJYGITVNMWLDLT-UHFFFAOYSA-N 430.468 2.031 0 40 IEAB Cc1cccc(CN2CCn3c(nn(CC(=O)Nc4cccc(Cl)c4)c3=O)C2=O)c1 98213148 QUMLAHLSPSYMEB-UHFFFAOYSA-N 425.876 2.301 0 40 IEAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 223837186 UOBKVCKMAUGRBM-UHFFFAOYSA-N 438.527 2.367 0 40 IEAB COc1cc(NC(=S)NCCN2CCN(c3ncccn3)CC2)c(OC)cc1Cl 225218396 DMTLPLCVFATOOP-UHFFFAOYSA-N 436.969 2.256 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(OC(C)C)c2)cc1OC 225380674 AEIBHWLODGWYBV-UHFFFAOYSA-N 436.530 2.428 0 40 IEAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(CC3CCCCC3)C2)C(=O)N1Cc1cccc(Cl)c1 225440289 QLYQAJBMLQGDRW-UXHICEINSA-N 431.964 2.279 0 40 IEAB biogenic,in-vitro CC(=O)Nc1ccc(OC(=O)COCCOCC(=O)Oc2ccc(NC(C)=O)cc2)cc1 247943282 ODHYEIVSSGYJIA-UHFFFAOYSA-N 444.440 2.148 0 40 IEAB CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1C2(C)C 248267856 YMLJWSIWMJJMGD-OZRJGJILSA-N 436.555 2.165 0 40 IEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCCN1CCOCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253596382 QRNRQACHRGPSAP-BYYBNQSPSA-N 427.545 2.170 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)c4cnc(C)nc4C)CCO3)c2)cn1 257341453 ZKJXAIXACQGUJL-QFIPXVFZSA-N 446.511 2.432 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408658031 KPWUIPXMHRMMHB-CJBVTVNNSA-N 440.496 2.399 0 40 IEAB CCOC(=O)[C@H]1CN(Cc2ccco2)C[C@H]2CN(C(=O)c3ccccc3C)CCN2C1 585108215 XZLSQXMMJHAWFO-PMACEKPBSA-N 425.529 2.410 0 40 IEAB CN1CCC[C@@H](N2CCN(S(=O)(=O)c3cnc4onc(-c5ccccc5)c4c3)CC2)C1 685592094 TZUUCZOOZOLADP-GOSISDBHSA-N 441.557 2.290 0 40 IEAB COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 8601466 ZVUOCNUJLQCINL-QGZVFWFLSA-N 448.522 2.297 0 40 IEAB COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCc3ccc4c(c3)OCO4)CS[C@H]21 8952165 AJMPQQBPNZTMLF-YEJXKQKISA-N 428.466 2.319 0 40 IEAB biogenic O=C(NCCc1ccc(O)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9303584 KXTDXTRISPRICE-OAHLLOKOSA-N 446.554 2.157 0 40 IEAB Cc1ccccc1Nc1nc(N)nc(COC(=O)Cn2cc(C(F)(F)F)ccc2=O)n1 9469652 ABFOMXSWMMPPLP-UHFFFAOYSA-N 434.378 2.430 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 9862182 RJGYRKZDWQISOE-KRWDZBQOSA-N 441.513 2.121 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9863876 BVTHHZAQSOIALF-FQEVSTJZSA-N 443.525 2.379 0 40 IEAB NC(=O)C1CCN(C(=O)CCCSc2ccc(NC(=O)c3cccs3)nn2)CC1 11794209 ALPDGXCPUMPVBL-UHFFFAOYSA-N 433.559 2.387 0 40 IEAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)N(C)S(=O)(=O)N1 12131154 JHLZWOGJOTZZPR-KBPBESRZSA-N 432.333 2.254 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccc(F)cc2)c2c(C(N)=O)nc(-c3cccs3)nc21 12236897 DKSNTJGSJJGHGQ-UHFFFAOYSA-N 425.445 2.462 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 12753972 LXAHJSLBYGERJZ-SBHAEUEKSA-N 436.622 2.473 0 40 IEAB C[C@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1cccc(S(N)(=O)=O)c1 12788498 VTUQPRYORMEDEO-HNNXBMFYSA-N 425.510 2.023 0 40 IEAB CC(C)(C)OC(=O)N1CCN(CN2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2S)CC1 12855850 BELSOKZVJDGPFP-XNTDXEJSSA-N 446.529 2.394 0 40 IEAB O=C(OCc1nnnn1-c1ccccc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 12895856 MRFOBLHTNFVSKP-UHFFFAOYSA-N 429.392 2.409 0 40 IEAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1S(=O)(=O)N1CCOCC1 13040883 XRZQGVGYWQKBKM-MRXNPFEDSA-N 434.514 2.431 0 40 IEAB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 13114901 WEOFZAAUSNPJGA-IRXDYDNUSA-N 433.530 2.043 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 15645152 VWZLUWURCYLOQC-IBGZPJMESA-N 426.502 2.153 0 40 IEAB COCCOc1cc(CN2CCC[C@@H](Cn3nnc(-c4cnccn4)n3)C2)ccc1OC 19593621 UVOMCOFYEWXHDU-GOSISDBHSA-N 439.520 2.076 0 40 IEAB COc1cccc(CC(=O)N2CC[C@H](c3ccnc4c(CN5CCOCC5)c(C)nn34)C2)c1 19707610 GEOHTBLMFYNJCO-FQEVSTJZSA-N 449.555 2.437 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccc(C)cc1)C(=O)CC2 19741812 RKVHJXPRNIXPFZ-FQEVSTJZSA-N 435.528 2.372 0 40 IEAB CCOC(=O)c1nnn([C@H](CC)C(=O)Nc2cc(OC)ccc2OC)c1C(=O)OCC 20182522 JARHYWYORYJTEA-CQSZACIVSA-N 434.449 2.239 0 40 IEAB COc1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c(OC)c1OC 22328634 OACSAWLJJMBOQY-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB Cc1cc(C(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1CCc1ccccc1 22919738 DKGXZXQAPWBZIG-QFIPXVFZSA-N 443.613 2.335 0 40 IEAB CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)Cc1ccc(F)cc1F 22964838 CWBQJRGVZBDSDU-UHFFFAOYSA-N 441.475 2.069 0 40 IEAB Cc1ccc2nc(COC(=O)CN3C(=O)N[C@@]4(C[C@@H](C)CC(C)(C)C4)C3=O)cc(=O)n2c1 23623973 GYCBXVRWEDZTNJ-NPMXOYFQSA-N 440.500 2.183 0 40 IEAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)C1CCN(S(=O)(=O)c2cccnc2)CC1 24745129 BTVIAXMUQZSZMD-UHFFFAOYSA-N 442.541 2.357 0 40 IEAB CCOC(=O)[C@]1(C(C)=O)Sc2nnc(C)n2N(C(C)=O)[C@H]1c1ccc(OCC)cc1 27300579 XNBCCCSPLSUMCJ-FXAWDEMLSA-N 432.502 2.208 0 40 IEAB O=C(CN1C(=O)COc2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 27988170 BWEMGIKWDFWWCQ-UHFFFAOYSA-N 442.493 2.105 0 40 IEAB C[C@H](c1ccccc1)N(C)C(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1 32908774 WYUXEOZJYTVFFW-WBVHZDCISA-N 431.562 2.187 0 40 IEAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 36395036 DWFBHLHENSKVNF-MJGOQNOKSA-N 428.510 2.240 0 40 IEAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43726805 RJFJWJWGAQJHFA-MHORFTMASA-N 438.281 2.450 0 40 IEAB Cc1c([C@H]2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)N(C)S(=O)(=O)N2)cnn1C 72335064 RNKGTLXSMFTMGY-CABCVRRESA-N 432.333 2.254 0 40 IEAB CN1CCCN(C(=O)c2cnc(-c3noc4cc(N5CCN(C)CC5)ccc34)s2)CC1 96154596 NKBXJLWAWOGPNL-UHFFFAOYSA-N 440.573 2.481 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1N1CCCC1=O 113949607 WOGVVMZACWUVQQ-UHFFFAOYSA-N 444.557 2.375 0 40 IEAB CCOc1cccc(N(CC(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 219144212 VKPZWKPLTFNSAM-UHFFFAOYSA-N 430.486 2.218 0 40 IEAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCc3nc4ccc(F)cn4c(=O)c3C2)C1 225782968 PSPNVSTZTHTFKQ-AWEZNQCLSA-N 430.480 2.365 0 40 IEAB CN1CCN([C@H]2CC[C@](CNC(=O)Cc3cccnc3)(c3ccccc3)CC[C@@H]2O)CC1 257277958 OADLIKJSKYQDJY-GNKBHMEESA-N 436.600 2.229 0 40 IEAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1325522 ULMTUVLFOSIDBX-UHFFFAOYSA-N 446.481 2.226 0 40 IEAB C[C@H](NC(=O)CCC(=O)N[C@@H](C)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 2154189 DZOGSZUWOBXAJH-QDGJQWLKSA-N 440.496 2.456 0 40 IEAB CC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cnc4ccccc4n3)c(=O)n12 2800456 RHYWQDWQPNZWEW-SIJCTBBESA-N 442.500 2.218 0 40 IEAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 4410028 MTXGZVVJWPJPOQ-GBHCNSOCSA-N 443.588 2.443 0 40 IEAB O=C(COC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)OCCO2 9283932 SWJXEJPFIDJKFT-UHFFFAOYSA-N 431.466 2.282 0 40 IEAB O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 9915518 WFKOBXHBVBKGCH-UHFFFAOYSA-N 449.554 2.399 0 40 IEAB Cc1cccc(-n2ccnc2SCC(=O)N2CCN(CC(=O)NC3CC3)CC2)c1C 12547664 AFKHAXTWDSHRAQ-UHFFFAOYSA-N 427.574 2.004 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1NC(C)=O 12854460 OFHGIFPVDDRWGB-FQEVSTJZSA-N 433.530 2.005 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1cccc(Br)c1 12933228 DNDDUZFSOBUXKW-UHFFFAOYSA-N 440.319 2.034 0 40 IEAB CC(C)Oc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 13073853 PMMNIZIZNQHDCT-UHFFFAOYSA-N 439.512 2.277 0 40 IEAB CCCNC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 13095394 LGQXZOPOEJACSI-UHFFFAOYSA-N 449.495 2.091 0 40 IEAB O=C(CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCc2ccccc21 13117652 MYMIRCFXJPSBDJ-UHFFFAOYSA-N 441.509 2.358 0 40 IEAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 13557574 ZOOWWAYTCXFWCO-AWEZNQCLSA-N 444.509 2.477 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(Cl)cc1 14374192 MLKBJXTYKUMXOE-UHFFFAOYSA-N 440.905 2.387 0 40 IEAB CCN1CCC[C@H]1CNC(=O)c1nn(CCOC)c2c1CN(C[C@H]1CC=CCC1)CC2 14534725 DCAMCXHGMQDVHE-PMACEKPBSA-N 429.609 2.458 0 40 IEAB CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCOCC3)cc2c1 19499584 WBZISBSJIIPLGI-LJQANCHMSA-N 426.521 2.480 0 40 IEAB COc1cc(C(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc(OC)c1OC 19549489 WVCSTNIVHVMJRR-OAHLLOKOSA-N 436.468 2.487 0 40 IEAB COC(=O)c1ccc(C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 19592525 GSYOBTWLDIGNPT-IBGZPJMESA-N 429.498 2.056 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)CCC(=O)Nc3nc(C)c(C)s3)C2)ncc1C(=O)N(C)C 19757560 PXUOCPSXGAUDGB-OAHLLOKOSA-N 444.561 2.295 0 40 IEAB CN1CCN(C(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 19938271 RUKDDBSIOTWXNK-UHFFFAOYSA-N 425.913 2.448 0 40 IEAB CCOc1cccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)c1 20106225 NDVRTTQHMHDPBI-UHFFFAOYSA-N 434.514 2.329 0 40 IEAB Cc1ccc2c(c1)CCCN2C(=O)[C@H](CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O 21598248 WCDMICDILUOAHW-FQEVSTJZSA-N 440.521 2.374 0 40 IEAB CCN1CCN([C@@H](c2cc(OC)c(OC)c(OC)c2)c2sc3ncnn3c2O)CC1 22030988 JWACXBYAQDWQOI-INIZCTEOSA-N 433.534 2.249 0 40 IEAB COc1cccc(N(CC(=O)NCCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 22332274 CPXZMCVRMBVTBZ-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C)c2cccc(Cl)c2)c1 25191692 KBPDDRLPXNRAMC-CQSZACIVSA-N 425.938 2.410 0 40 IEAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 25906419 PWTDWVWHEAKNII-UHFFFAOYSA-N 430.555 2.446 0 40 IEAB Cc1c(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cnn1-c1ccc(F)cc1 30582646 ISNMLHCSTDUZGT-UHFFFAOYSA-N 435.503 2.394 0 40 IEAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(N4CCCC4=O)c3)c2)CC1 35421642 MGVASZYJNDAVLE-UHFFFAOYSA-N 442.541 2.002 0 40 IEAB CCn1nccc1CN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1cn(C)nc1C 36615297 AKNWZSXILZAZRK-UHFFFAOYSA-N 447.561 2.396 0 40 IEAB Cc1cccc(NC(=O)[C@@H]2CCCN(CC(=O)NC(=O)NCCc3cccs3)C2)n1 40149584 NFGGVMUIEYQGMY-MRXNPFEDSA-N 429.546 2.171 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3-c3ccc(=O)n(C)n3)n2)n1 96025151 OXARCYYGDUFVJZ-MRXNPFEDSA-N 445.483 2.006 0 40 IEAB COc1ccc(C(=O)N2CCC3(CC2)O[C@@H](C(=O)N2CCCCC2)Cn2ccnc23)cc1 96263100 BUQDKXHNQCXSQB-HXUWFJFHSA-N 438.528 2.435 0 40 IEAB COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)n2C 100823943 LOZHYDNXFSXPCH-VXPUYCOJSA-N 435.527 2.248 0 40 IEAB CCc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC)S(C)(=O)=O)cc1 222609421 JVZCHQCBYRIQBH-INIZCTEOSA-N 449.548 2.317 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 222943240 CUWCPABTIJMTQY-SFHVURJKSA-N 447.557 2.015 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223209249 LJTMTEYMSNYBOW-IBGZPJMESA-N 449.548 2.454 0 40 IEAB CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224891492 QSDVLUGKGGFSJG-UHFFFAOYSA-N 434.470 2.190 0 40 IEAB COC(=O)c1cc(NC(=S)NC2CCN(C3CCOCC3)CC2)cc(C(=O)OC)c1 225214063 VDHRJADGYRYCSK-UHFFFAOYSA-N 435.546 2.190 0 40 IEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c1 225972039 PVYUZTZOIVKIAZ-UHFFFAOYSA-N 445.950 2.205 0 40 IEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCNC(=O)c1cccnc1)[C@]1(C2)NC(=O)c2ccccc2O1 253596260 PGBMOFZXMIDILH-LQTXRJQHSA-N 448.523 2.273 0 40 IEAB CN(C[C@@]1(O)CCCN(c2ccnc3cccnc23)C1)C(=O)c1cccc(OCCCN)c1 257244218 IKKCPKJFTMZYBY-VWLOTQADSA-N 449.555 2.461 0 40 IEAB Cc1ccc(Cn2nc3n(c(=O)c2=O)C[C@@]2(CCN(C(=O)Cc4ccccc4C)C2)C3)cc1 306123707 AUGUIEAYUGVTHX-SANMLTNESA-N 444.535 2.088 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3F)CC2)cc1C 408594823 QVUSYAKATHXNJC-INIZCTEOSA-N 435.521 2.158 0 40 IEAB Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c1C 408615874 UBBMBXSORYTMGH-WMZOPIPTSA-N 439.512 2.171 0 40 IEAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2C)CC1 408676487 OJIYCESPPSVYLS-UHFFFAOYSA-N 435.521 2.478 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1=O 643557900 ZMAMDDYPGGKBTC-DEOSSOPVSA-N 438.528 2.342 0 40 IEAB O=C(NCCO[C@H]1CCCCO1)c1ccc(C(=O)NCCO[C@@H]2CCCCO2)s1 646305441 MZSDPARAQZYOAU-HDICACEKSA-N 426.535 2.294 0 40 IEAB O=C(NCC1(N2CCSCC2)CCOCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 1888922025 JQDGOFSZHLISMQ-UHFFFAOYSA-N 447.479 2.238 0 40 IEAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 3531095 RZIXMXUVTBIQHD-MRXNPFEDSA-N 428.539 2.330 0 40 IEAB O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)CO[C@H]12 4222841 ZBLIBTTYEZWPHC-BSDSXHPESA-N 444.937 2.212 0 40 IEAB biogenic,in-vitro COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(NC(=O)CSC)ccc(=O)n2C3)cc1 5441298 ZBGRVRHPXRRQIP-GOEBONIOSA-N 427.526 2.418 0 40 IEAB biogenic,in-vitro Nc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2ccc3c(c2)OCCO3)n1 9108610 IEEPPVDOFKIYKY-UHFFFAOYSA-N 437.479 2.430 0 40 IEAB COc1ccc(CNC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc6c(c5)OCO6)C(=O)[C@@H]24)O3)cc1 9410524 PDNWLAIFJBGZSB-ZNNUDVHBSA-N 448.475 2.022 0 40 IEAB Cc1cn2c3c(=O)n(C/C=C/c4ccccc4)c(=O)n(C)c3nc2n1CCCn1ccnc1 9410742 SBHCMZMQEBFRGC-UXBLZVDNSA-N 443.511 2.458 0 40 IEAB C[C@@H](Oc1ccccc1)C(=O)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1 11796072 CQQMCJHKFJMTQE-LJQANCHMSA-N 431.558 2.112 0 40 IEAB COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)NC2CC2)cc1OC 12539433 QZZFKYORGSSQER-UHFFFAOYSA-N 428.441 2.157 0 40 IEAB C[C@@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 12640440 WIWUSZDRLNXMGK-QRWLVFNGSA-N 439.468 2.183 0 40 IEAB COc1cc(OC)nc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)n1 12952322 WDHKMEPGHZRFKD-UHFFFAOYSA-N 428.276 2.310 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@@H]1CCCO1 13555426 PDSJGGLQYLHPKJ-KVEZMUKJSA-N 431.558 2.083 0 40 IEAB Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O 13555874 CZXDMIWVMQGLNE-HNNXBMFYSA-N 444.509 2.183 0 40 IEAB CC(=O)c1cccc(NC(=O)CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 13724557 ARKPJFGZCCMXJM-SFHVURJKSA-N 443.525 2.045 0 40 IEAB CCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(OC)cc1 16678302 ZWVSSSFYHWDHNI-UHFFFAOYSA-N 435.521 2.194 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)c3cc(C)sc3C)CC2)cc1 19567872 DUZSPZOCRGXGMS-HXUWFJFHSA-N 437.587 2.363 0 40 IEAB COc1ccc(OC)c(CC(=O)N2CC[C@@H](c3ncccc3C(=O)N3CCOCC3)C2)c1 19708032 BXBGZHJGPMXEQT-QGZVFWFLSA-N 439.512 2.130 0 40 IEAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1nc(CN(C)C(C)=O)cc(N(C)C)n1 19760877 QPEHTRQTLWQJHL-LJQANCHMSA-N 425.533 2.436 0 40 IEAB CCn1ccc(C(=O)N2CCO[C@@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)n1 19762749 DRZKRWYNGHWOQU-OAQYLSRUSA-N 437.500 2.041 0 40 IEAB CCn1c(CN(c2ccc(C)cc2)S(C)(=O)=O)nnc1SCC(=O)N1CCCC1 19925838 GOMPUYSZMWZFLH-UHFFFAOYSA-N 437.591 2.287 0 40 IEAB CC[C@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22327178 XTVMKDAEPBKILP-SFHVURJKSA-N 438.571 2.432 0 40 IEAB CCc1ccc(N2C(=O)CN(Cc3ccc(OC)c(OC)c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773694 WDZLPUCEZXPCJK-VQTJNVASSA-N 444.553 2.281 0 40 IEAB CCCCn1c(N)c(N(C(=O)CN2CCc3ccccc3C2)C2CCCC2)c(=O)[nH]c1=O 36384436 TVVCDOCRZIQKBW-UHFFFAOYSA-N 439.560 2.253 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)Cc3ccc(F)cc3)cc2C1=O 39565901 SBCOJZHESBZNGX-UHFFFAOYSA-N 442.443 2.274 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(c4nc(C)no4)CC3)CC2)cc1 40156253 TZRGCXLYMUGDBR-UHFFFAOYSA-N 448.545 2.194 0 40 IEAB CC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 56997966 FDGSISWXHBADPV-UHFFFAOYSA-N 443.935 2.175 0 40 IEAB O=C1CN(Cc2ccc3c(c2)OCO3)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 56998238 OLTRHQHJJKWOQE-IAGOWNOFSA-N 434.901 2.083 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccc3F)CC2)NC(=O)N[C@@H]1c1cccs1 57415974 RFJCBROHQPHTQV-LJQANCHMSA-N 430.505 2.490 0 40 IEAB NC(=O)c1cc(CCOC(=O)[C@@H](c2ccccc2)n2cccn2)c(C(F)(F)F)[nH]c1=O 69375555 HOSUAVWKAOROIC-OAHLLOKOSA-N 434.374 2.064 0 40 IEAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(CC(=O)NC(C)(C)C)nc12 72347058 VNMLHSGWPQRZDP-IYBDPMFKSA-N 440.548 2.155 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC3(CCCCC3)C2)cc1C 97165159 KKHJQSLZPPANGJ-IBGZPJMESA-N 435.590 2.399 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccc(C)cc4)[C@H]3C2=O)cc1Cl 101388653 OVWBGISCGRDQHF-RBUKOAKNSA-N 441.875 2.267 0 40 IEAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)c(C)c1 102224084 AEDXVPXJKMDVEH-KRWDZBQOSA-N 432.480 2.277 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N(C)Cc1nc(-c3ccccc3)no1)O2 219400890 JCLVETPWNMCHJQ-GOSISDBHSA-N 442.497 2.231 0 40 IEAB C[C@H]1C[C@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 225903212 DDDIGSRHJDODHM-ROUUACIJSA-N 447.653 2.178 0 40 IEAB Cn1c(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc(=O)n(C)c1=O 257229540 FYMAQQJPQWLHES-HNNXBMFYSA-N 442.903 2.336 0 40 IEAB Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cccc(OCCN4CCCC4)c3)C2)ncn1 257286207 PKSLPRLYSSNKDT-XMMPIXPASA-N 439.560 2.021 0 40 IEAB Cc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)cn1 257303242 SGJFAYMJWNCOSK-GMAHTHKFSA-N 436.556 2.464 0 40 IEAB CC(=O)N[C@]12CCO[C@@H](CCNC(=O)c3cc(C)on3)[C@@H]1C[C@H]1C[C@H]2[C@@H](C)NC1(C)C 257342622 ZPLPTULGKROJAS-KVZDDENPSA-N 432.565 2.179 0 40 IEAB COc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 260826413 ABBUFNJFTINEGG-CABCVRRESA-N 434.514 2.498 0 40 IEAB COc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 260842932 ZCSOFMPJTFMURB-HUUCEWRRSA-N 434.514 2.498 0 40 IEAB COc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408654850 GXNOMTKOPNIYDB-NHQIJDEQSA-N 428.485 2.233 0 40 IEAB C[C@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 589055657 JXKMCSHEHYZXNW-STQMWFEESA-N 434.480 2.039 0 40 IEAB COc1cccc(S(=O)(=O)N2CCC(Oc3ncc(Br)cn3)CC2)c1 1259187384 USHAHFSWXGNJLY-UHFFFAOYSA-N 428.308 2.480 0 40 IEAB COc1ccc([C@H](OC)[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 1637373272 OLRGPCQKRFLRHJ-DDFQMXDRSA-N 444.503 2.231 0 40 IEAB O=S(=O)(c1cccc2nsnc12)N1C[C@@H]2CN(c3cc(C4CC4)ncn3)C[C@H]2C1 1888928910 SETOMUOATFFQRW-KBPBESRZSA-N 428.543 2.116 0 40 IEAB COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)cc1OC 1347654 SUMUAGTWTMYYHZ-OAQYLSRUSA-N 436.516 2.025 0 40 IEAB O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CCN(c2ccccc2Cl)CC1 3441326 ZZTUKZODQBFBPW-QHCPKHFHSA-N 438.915 2.382 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)c(C)c2)cc1 9096291 AKHGVXJUANYPID-GOSISDBHSA-N 434.514 2.478 0 40 IEAB COc1cc(C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cccs2)cc(OC)c1OC 9806917 BGLSJUJVBFQLSO-CQSZACIVSA-N 440.543 2.357 0 40 IEAB Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)COc3ccccc3C)c2=O)c1 12072304 JQTRWKUBXIGSQO-UHFFFAOYSA-N 431.496 2.453 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(Cn4cccn4)cc3)C2=O)cc1 12625844 LDCPZPRZSXZTSZ-XMMPIXPASA-N 447.495 2.023 0 40 IEAB CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc2c1CCC2 12779902 KRJDKZLDIXBJNM-UHFFFAOYSA-N 434.495 2.197 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccccc4)c3)CC2)cc1 12989090 URUPZAROOQAAFD-UHFFFAOYSA-N 440.525 2.418 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)n1 13001487 PFUOYTOZCVTHIB-AWEZNQCLSA-N 441.506 2.180 0 40 IEAB Cn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3ccc4c(c3)OCO4)cc21 13364499 SQFYULOTJMYTNP-UHFFFAOYSA-N 436.468 2.209 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(Cn3nnn(-c4ccccc4)c3=S)CC2)c1 14234371 XNQZTLLHLYCJIN-UHFFFAOYSA-N 444.586 2.379 0 40 IEAB COc1cn2c(cc1=O)C(=O)N(CCNC(=O)C1c3ccccc3Oc3ccccc31)CC2 16850507 FBKVQHUJHVBWAW-UHFFFAOYSA-N 445.475 2.367 0 40 IEAB C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O 16890844 LSBYIXJQDDEFKQ-SFHVURJKSA-N 437.496 2.446 0 40 IEAB CCS(=O)(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccc(C)cc3)[nH]c(=O)c2C1 19520402 VKCLBTDZDMVIOA-LJQANCHMSA-N 444.557 2.154 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)COc3ccccc3)CC1)C2=O 19700698 PCIZPOBWXUKVNB-UHFFFAOYSA-N 442.560 2.100 0 40 IEAB Cc1nccn1C[C@@H]1CCCN(C(=O)c2cccn(CC(=O)NCc3ccccc3)c2=O)C1 19750045 YKCONPNCYUYQMG-NRFANRHFSA-N 447.539 2.222 0 40 IEAB CC[C@@H](C)NC(=O)CSc1nnc(CN(c2ccc(C)cc2)S(C)(=O)=O)n1C 19925954 FFHMKNHRKCAZMN-CQSZACIVSA-N 425.580 2.097 0 40 IEAB COCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009400 SVGZDPRYDFVZGF-INIZCTEOSA-N 426.922 2.001 0 40 IEAB O=C(CN1CCN(CCOc2ccc(Cl)cc2)CC1)NCc1ccc2c(c1)OCO2 22804614 PFSSJMAWCWHRHX-UHFFFAOYSA-N 431.920 2.382 0 40 IEAB C[C@H](C(=O)NC1CCCCCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 27541063 RYTRSSFOPFZEHZ-OAHLLOKOSA-N 429.533 2.499 0 40 IEAB COC(=O)C1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CCCCC1 28634459 KPFTXBXXKILXCR-HNNXBMFYSA-N 428.576 2.449 0 40 IEAB COc1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)cc1 52518737 PABBRNAWFLFQBD-QFIPXVFZSA-N 441.553 2.134 0 40 IEAB O=C(C1[C@H]2CCCC[C@@H]12)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1 72398895 BQVRWDZNERSIJN-QIDMFYOTSA-N 440.588 2.449 0 40 IEAB COc1cc(/C=C/C(=O)N2CC(c3nc(-c4ccc[nH]c4=O)no3)C2)cc(OC)c1OC 77099627 VNDJGZBPWZRPRU-VOTSOKGWSA-N 438.440 2.090 0 40 IEAB CN(C)S(=O)(=O)N1CCN(C(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)CC1 95472822 TXPCBRRSIVTUKX-GOSISDBHSA-N 438.981 2.266 0 40 IEAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)n2)C1 102612376 GJSGLOAEQWBOOE-KUIZZCKGSA-N 428.558 2.367 0 40 IEAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 218155138 AIEXJYSCZIUPBH-RTBURBONSA-N 446.477 2.468 0 40 IEAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 248006388 DWAFWTZNNJYQGW-RUYXUALKSA-N 441.557 2.116 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCO)c(Cl)c2)cc1 408623107 OXHHXMQKADIAHP-UHFFFAOYSA-N 428.894 2.027 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCN(CC)CC2)c2ccccc2)cc1 409273590 ZEQKMLIUHBTZJT-UHFFFAOYSA-N 431.558 2.445 0 40 IEAB Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)c1C 409325010 WOZKPHWLXQTCKN-UHFFFAOYSA-N 445.541 2.181 0 40 IEAB O=C(NC(=S)NCc1cccc(CNC(=S)NC(=O)c2ccco2)c1)c1ccco1 3225915 XZXFWXILHNJVPF-UHFFFAOYSA-N 442.522 2.482 0 40 IEAB O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCCC1 3277146 YJWRCAUHAMEBED-LJQANCHMSA-N 428.510 2.196 0 40 IEAB O=C(NCCc1ccccc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1 8601462 VPTHHOXNWZZPEO-KRWDZBQOSA-N 432.523 2.331 0 40 IEAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)o1 8966067 GECMRMJHCDYJQO-VIFPVBQESA-N 447.448 2.091 0 40 IEAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 9223625 SGHWWMIIUURQEL-UHFFFAOYSA-N 442.537 2.022 0 40 IEAB CCCCn1cnc2c1c(=O)n(CC(=O)Nc1cc(C)on1)c(=O)n2Cc1ccccc1 9378237 UNQSPEHLTUNGPN-UHFFFAOYSA-N 436.472 2.143 0 40 IEAB Cc1[nH]c2ccc(C(=O)OCC(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc2c1C 9465756 YGDXUODZUZRXMT-QHCPKHFHSA-N 434.452 2.440 0 40 IEAB CCCN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)c2C(N)=O)C1 9629693 FBSQGRZQISCQIN-UHFFFAOYSA-N 435.571 2.336 0 40 IEAB O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1ccc(F)c(F)c1 9777645 DXDZHCUCKISZMM-UHFFFAOYSA-N 429.470 2.112 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3c[nH]c4ccccc34)cc2)C1=O 11904144 STYIDZBGOMAJPU-AWEZNQCLSA-N 447.538 2.001 0 40 IEAB Cc1ccc(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)cc1S(=O)(=O)N(C)C 12682347 XMOIYZBRMGSURE-UHFFFAOYSA-N 434.909 2.191 0 40 IEAB CCCCn1nc(C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)c2ccccc2c1=O 12688403 WXTRNAUWJYAGEW-UHFFFAOYSA-N 442.541 2.176 0 40 IEAB COc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1OC 12898776 KZKNNJLAIZYHKK-UHFFFAOYSA-N 425.485 2.311 0 40 IEAB CN(C)CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13677787 KMMIKDQTVTUNFL-LJQANCHMSA-N 437.949 2.364 0 40 IEAB Cc1cc(C)nc(N2CCN(C(=O)CCC(=O)Nc3nnc(C(F)(F)F)s3)CC2)n1 17247881 GIJFGVDWCBNUBH-UHFFFAOYSA-N 443.455 2.031 0 40 IEAB CN(C(=O)CN1N=C(C(C)(C)C)Cn2c(cc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 19082246 DZVJHVFCZHRVLC-INIZCTEOSA-N 444.557 2.145 0 40 IEAB O=C(Cc1ccccc1F)N1CC[C@@H](c2nc(=O)c3c([nH]2)CN(Cc2cccnc2)CC3)C1 19348051 NROGSLYGKHCTMX-LJQANCHMSA-N 447.514 2.421 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)c1 19689941 TZKCCIXZWZKDDP-GOSISDBHSA-N 442.545 2.478 0 40 IEAB CNC(=O)[C@]1(Cc2cc(-c3ccc(F)cc3)no2)CCN(C(=O)CCc2nc(C)no2)C1 19703566 XBIULEJWAKBSSJ-QFIPXVFZSA-N 441.463 2.312 0 40 IEAB COCCNC(=O)CN1CCC[C@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19740448 UIBCFHMIXRXJQK-FQEVSTJZSA-N 437.544 2.164 0 40 IEAB CC(C)c1ncc(CN2CCO[C@@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cn1 19762069 LSGKCRDOTFDCQG-JOCHJYFZSA-N 435.528 2.444 0 40 IEAB Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccccc2F)n(C)c1=O 20029451 QHWAJLZAGSQOEF-UHFFFAOYSA-N 433.487 2.179 0 40 IEAB CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)c1 21869091 CUQKWSLAFLUOOO-LBPRGKRZSA-N 436.452 2.331 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 22851215 OYCXGEPKWRHOES-KRWDZBQOSA-N 434.514 2.084 0 40 IEAB CC(C)(C)NC(=O)CN1CCCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 24716393 KKAYZQZLPRPCJK-UHFFFAOYSA-N 448.568 2.352 0 40 IEAB O=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3cc4c(cc23)OCCO4)CC1 28556203 JJJFMDCMLIUALA-UHFFFAOYSA-N 430.461 2.051 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccnn1C1CCCC1 36385511 MEADKMSDGNWHCM-UHFFFAOYSA-N 435.525 2.082 0 40 IEAB COc1ccc(N2Cc3nc(=O)n(CC(=O)NCc4ccc(F)cc4Cl)n3C2=O)cc1 49545802 VNITUBLPZPXMSQ-UHFFFAOYSA-N 445.838 2.151 0 40 IEAB CS(=O)(=O)N1CCC[C@H](NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)C1 60064920 BVCATFSOUDIADV-PMACEKPBSA-N 429.542 2.088 0 40 IEAB COc1cn(CC(=O)N2CCO[C@H](c3ccccc3)C2)c(CN2CCCCC2)cc1=O 96118301 HLTJJIRGXAMHMN-QFIPXVFZSA-N 425.529 2.443 0 40 IEAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CCN(Cc3ccccc3)CC1)C=C2 96224274 WDDOKTIZMWDXDI-UHFFFAOYSA-N 435.524 2.404 0 40 IEAB O=C(C1CCCC1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ccccn3)C[C@@H]2C1 96251500 XGFBCQZCYDUFLK-RDPSFJRHSA-N 426.561 2.176 0 40 IEAB O=C(NC1CCCCC1)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 221997893 SERHDJBFTOPWOL-VWUIQGKGSA-N 441.572 2.197 0 40 IEAB COc1ccc(C)cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 222668847 XZRQLOMNVLXIHN-HNNXBMFYSA-N 434.514 2.418 0 40 IEAB CN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 257221803 DQOVFEDBPHIFIW-UHFFFAOYSA-N 438.347 2.320 0 40 IEAB CN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)c1ccc(OCCCN)cc1 257261271 LGMUTRXBZSBGHH-VWLOTQADSA-N 449.555 2.461 0 40 IEAB O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCNc1ncccn1 524733093 TYHRYLKICMVBPP-NRFANRHFSA-N 442.479 2.210 0 40 IEAB NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)c3cnn(CCC(F)(F)F)c3)c2)C1 543142499 FTGYEYQTSVMGES-KRWDZBQOSA-N 437.466 2.463 0 40 IEAB CNC(=O)[C@H]1CN(C(=O)c2cccc(Cn3ccnc3C)c2)CCN1Cc1ccccc1 585261732 CWWRCMQELAMSRW-HSZRJFAPSA-N 431.540 2.312 0 40 IEAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@H]3CCc4ccccc4NC3=O)CCOCC2)o1 1547139581 ULRYMTVSQQDEGK-KRWDZBQOSA-N 426.469 2.162 0 40 IEAB biogenic CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(Cc1ccncc1)C2 1549166595 GIGWZVBKDWSGJT-QFIPXVFZSA-N 434.540 2.143 0 40 IEAB O=C(O)[C@H](Cc1ccccc1)NC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCN2)CC1 9360302 OEWCDENVSNGBGF-VXKWHMMOSA-N 449.551 2.111 0 40 IEAB biogenic CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(OC)c(OC)c3)c2n1 9739422 XBWWNWGMWQSSBK-UHFFFAOYSA-N 435.440 2.291 0 40 IEAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(c3cc(C)nc(N)n3)CC2)on1 12232668 ALHOBWLGJHHUIU-UHFFFAOYSA-N 436.520 2.341 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2nc3ccccc3nc2C)cc1 12752352 SHBKDGMXCABEOT-UHFFFAOYSA-N 442.497 2.308 0 40 IEAB CCc1ccc(-c2n[nH]c(SCC(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)n2)cc1 12890692 NKYMSBMHFGMFRW-UHFFFAOYSA-N 444.605 2.185 0 40 IEAB CC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 12919813 HMSUYSRFHAXJHB-UHFFFAOYSA-N 445.944 2.007 0 40 IEAB CC[C@@H]1CCCCN1C(=S)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 13140310 BSKCUAAMJGNGAS-OAHLLOKOSA-N 443.566 2.126 0 40 IEAB NS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 13163396 UHDZXMJYJJLUFJ-UHFFFAOYSA-N 438.527 2.196 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC(C)(C)N1CCCCC1)n2C 14060719 LQFFCSGMFUHIAD-UHFFFAOYSA-N 449.621 2.137 0 40 IEAB O=C1COc2cc(C(=O)Nc3ccc(S(=O)(=O)NCC(F)(F)F)cc3)ccc2N1 15100512 OWEGOSORUJHTBB-UHFFFAOYSA-N 429.376 2.110 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O 15760552 FXVVCLYFGLQLOD-UHFFFAOYSA-N 434.477 2.244 0 40 IEAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 18224707 XGTGBCHEKWLVEE-KRWDZBQOSA-N 430.482 2.212 0 40 IEAB C[C@H](C(=O)N1CC[C@@H](c2nc(O)c3c(n2)CN(C2CCCCC2)CC3)C1)N1CCCC1=O 19077707 HIZNKYMNVCHKJN-IAGOWNOFSA-N 441.576 2.200 0 40 IEAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)on1 19122080 IALJNIKWUDYOJL-FUHWJXTLSA-N 427.505 2.162 0 40 IEAB CC(=O)Nc1cccc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c1 20730862 MSCRFPONESHXTN-KRWDZBQOSA-N 438.440 2.213 0 40 IEAB CN(Cc1ccccc1N1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 23403743 WOFQRMDYAFXHTP-UHFFFAOYSA-N 428.514 2.027 0 40 IEAB COc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc(OC)c1OC 24832362 LOFOOPHVKUHQOK-UHFFFAOYSA-N 437.500 2.196 0 40 IEAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NCCN4CCOCC4)cc3C[C@@H]2C)cc1 25767380 DBKRQIFMKQPJMU-SFHVURJKSA-N 443.569 2.197 0 40 IEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 28209589 XBJZGPOAYJYBAB-HXUWFJFHSA-N 445.516 2.163 0 40 IEAB CCOC(=O)N1CCC[C@@H](C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1 30567338 GOHAZRPXCXDVCV-MRXNPFEDSA-N 431.489 2.461 0 40 IEAB CCNC(=O)COc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c1 31818045 VWOAYFRRZNYSNN-UHFFFAOYSA-N 433.530 2.125 0 40 IEAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OC 34746364 PPXVJCQLJYNFQZ-QPEQYQDCSA-N 445.384 2.475 0 40 IEAB O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1cc(Cl)ccc1-n1cncn1 36447672 IVMMZLBVSVCMLD-UHFFFAOYSA-N 430.921 2.379 0 40 IEAB COc1ccc(C(=O)NCCCCN2C[C@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N(C)C 40108506 CUDCYLZOOXDZIK-IAGOWNOFSA-N 425.595 2.433 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccnc(-n3cccn3)c2)ccc1F 48290458 GCJQXVPDWFYTCX-UHFFFAOYSA-N 431.493 2.367 0 40 IEAB O=C(NCCS(=O)(=O)Cc1ccccc1)Nc1cccc(Cn2cccnc2=O)c1 48331754 IGBYUWFBXVWRSD-UHFFFAOYSA-N 426.498 2.028 0 40 IEAB NC(=O)[C@@H]1CCCN1Cc1cc(=O)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)co1 49549920 KCXHXMMJVJKXHF-HNNXBMFYSA-N 440.283 2.414 0 40 IEAB Cc1ccc(NC(=O)N[C@H](C(N)=O)C(C)(C)C)cc1NC(=O)N[C@H](C(N)=O)C(C)(C)C 79107214 AVZNPXKDMQBTCV-HUUCEWRRSA-N 434.541 2.038 0 40 IEAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)C[C@@H](O)CN3CCN(C)CC3)c12 89567343 LYCQYNHGCASTDF-GOSISDBHSA-N 444.624 2.298 0 40 IEAB CC(=O)O[C@H]1C[C@H]2[C@H](O)[C@@]3(C(=O)[C@@H]2C)[C@H](O)C[C@@H]2C(C)(C)CC[C@@H](OC(C)=O)[C@@]2(C)[C@@H]13 95100260 LGRQSRYHHCUXCE-JNUCBTCFSA-N 436.545 2.259 0 40 IEAB O=C(CCn1cnc2ccccc2c1=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1 96104132 SJCWQRBOINCGFX-UHFFFAOYSA-N 443.500 2.391 0 40 IEAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 138852766 LVOFBTNTKBMYJL-ZDUSSCGKSA-N 445.859 2.024 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220207986 WJZGKDWYAULTIA-ZDUSSCGKSA-N 436.486 2.284 0 40 IEAB Cc1ccc(CN(CC(=O)NCc2ccc(CN3CCCC3=O)cc2)S(C)(=O)=O)cc1 224186919 DDGZXJUHVRJATQ-UHFFFAOYSA-N 443.569 2.195 0 40 IEAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224230394 VNQPJCMOQNDWQF-FQEVSTJZSA-N 436.530 2.298 0 40 IEAB COc1cccc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224322229 PSHHIYIHDMBQCW-KRWDZBQOSA-N 448.541 2.442 0 40 IEAB CC(=O)Nc1nnc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)s1 224566108 MNGHLDJAWDWVJF-UHFFFAOYSA-N 428.883 2.021 0 40 IEAB COCCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccc(F)cc2)cn1 225923187 VYIIYJGMZIQCNH-UHFFFAOYSA-N 425.482 2.083 0 40 IEAB O=C(CC1CCOCC1)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257217309 CYLGNCBWQJQTNY-SONWIMMPSA-N 430.589 2.493 0 40 IEAB Cn1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cc(=O)n(C)c1=O 257315440 VBJMLNZUUMVISS-QGZVFWFLSA-N 426.448 2.169 0 40 IEAB O=C(C[C@H]1CN(C(=O)c2ccccn2)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1 257316484 VFVFXNYTYIWMIA-UWJYYQICSA-N 427.476 2.379 0 40 IEAB CC(C)n1ccc2c1CN(C(=O)CS(C)(=O)=O)Cc1cn(Cc3ccccn3)nc1-2 306143969 YSDWOROLTPOONS-UHFFFAOYSA-N 427.530 2.263 0 40 IEAB Cc1cccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccccc4)C3)CC2)c1 585287773 RAIVCLYPSMPJEP-RUZDIDTESA-N 426.557 2.469 0 40 IEAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cc(F)cc(F)c5)C[C@H]4C3)ncnc21 2087067398 GOIPHBOYHXNAAA-GASCZTMLSA-N 448.499 2.022 0 40 IEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)cc2)nc(C)n1 2085960 JWKHEYBKKYDHPM-WXRFYESLSA-N 442.497 2.356 0 40 IEAB CC1CCN(c2nc3c(c(=O)n(Cc4ccc(Br)cc4)c(=O)n3C)n2C)CC1 2334127 AHFSMXJYZIFBMZ-UHFFFAOYSA-N 446.349 2.481 0 40 IEAB biogenic CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2C(=O)OC)cc1 3326830 SLDAGEPNYIKCSG-UHFFFAOYSA-N 426.516 2.305 0 40 IEAB Cc1cc(I)ccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 3605950 KKDFSGRUZRQJNO-UHFFFAOYSA-N 427.242 2.403 0 40 IEAB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(Br)o2)c1 8672401 PKPMUESBGSMBJB-UHFFFAOYSA-N 431.264 2.088 0 40 IEAB O=C(Cn1nnc(-c2ccccc2Cl)n1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9218970 WORYHEHQGLOZLB-INIZCTEOSA-N 445.932 2.209 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2n[nH]c(=O)c3ccccc23)c1 9395410 VIYHMECYNBZTHQ-UHFFFAOYSA-N 430.486 2.215 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)NCCc1ccccc1 9660724 KDBSAPJHTMYWEL-UHFFFAOYSA-N 432.455 2.105 0 40 IEAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCCc1ccccc1F 11904745 HIGVXUTWEFWHAW-UHFFFAOYSA-N 440.518 2.030 0 40 IEAB O=C(Cc1cn2ccsc2n1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12547696 FSFNKAZBIJNKQX-UHFFFAOYSA-N 430.964 2.186 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 13042415 ZUNVUVFKFJFCCX-OALUTQOASA-N 443.569 2.447 0 40 IEAB COc1ccc(CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](C)Cc2cccs2)cc1 13121048 UYFSXGGCHHRHKP-AWEZNQCLSA-N 429.498 2.137 0 40 IEAB COc1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NCc2ccccc2)cc1 16954090 NRJCALDHWCVIRV-UHFFFAOYSA-N 440.525 2.431 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 18762328 GKLVSLRBBCADBO-NSHDSACASA-N 447.872 2.323 0 40 IEAB CCN(CC)C(=O)Cn1nc2n(CC(=O)N3[C@H](C)CCC[C@H]3C)c3ccccc3n2c1=O 19526240 XDCSHDOCZLLUQF-IAGOWNOFSA-N 440.548 2.109 0 40 IEAB CNc1nc([C@H]2CCCNC2)nc2c1CCN(C(=O)CN(C)Cc1ccc(OC)cc1)C2 19708825 OHMAHUGJCLEESG-SFHVURJKSA-N 438.576 2.011 0 40 IEAB Cc1nonc1CN(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](NC(=O)c1ccccc1)C2 19749601 HJSDKIKECKJXAG-SFHVURJKSA-N 426.498 2.096 0 40 IEAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2OC)n1 19760538 ZPUOXEHGEZPBSA-QGZVFWFLSA-N 447.561 2.339 0 40 IEAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2cnn(C)c2)ncc1C(=O)N1CCCCC1 19765721 QZXHMDTXIPZTOC-SFHVURJKSA-N 432.550 2.061 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1C 22851196 JCTPBAPKNZXYDE-SFHVURJKSA-N 434.514 2.084 0 40 IEAB O=C(c1ccccc1S[C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccncc2)CC1 23818704 RPNDTOBKJBKOIY-SFHVURJKSA-N 431.583 2.319 0 40 IEAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)C1 32759368 UATVEDXMIBGYGV-GJZGRUSLSA-N 431.961 2.290 0 40 IEAB C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 34872854 ZZYANOVZNAVBRQ-AWEZNQCLSA-N 433.496 2.459 0 40 IEAB O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)N1CCCC1 35388078 UBLFMIJDNFZNEQ-NRFANRHFSA-N 431.533 2.496 0 40 IEAB COC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2cc(C)ccc2n1C 35851725 TZEWFOUWRRHWGN-UHFFFAOYSA-N 438.484 2.263 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCCn2c(C)nc3ccccc32)c1 36660908 NRSGMPZWRIZTON-UHFFFAOYSA-N 442.541 2.422 0 40 IEAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)sc2c1CCCC2 44842370 DFHMRBHEGWJELB-CYBMUJFWSA-N 443.591 2.261 0 40 IEAB CC(=O)c1ccc(NC(=O)Cn2nc(N3CCN(Cc4ccccc4)CC3)ccc2=O)cc1 44892328 BCNBHUHVVMSPDF-UHFFFAOYSA-N 445.523 2.407 0 40 IEAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)NCc1ccc(Br)cc1 49549587 PKAVDQIKPSHTIH-UHFFFAOYSA-N 442.273 2.112 0 40 IEAB COC(=O)c1c(NC(=O)CN2CCC[C@@H]2C(=O)NCC(F)(F)F)sc2c1CCCC2 57991452 VZEKSICENRTHLL-GFCCVEGCSA-N 447.479 2.495 0 40 IEAB COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(c2ccc(C(C)=O)cc2F)CC1 58158484 LEYJJWZMBTXCNW-MOSHPQCFSA-N 435.521 2.130 0 40 IEAB COc1ccc(CC[C@H]2CCCCN2C(=O)c2cn(CC(=O)N(C)C)nn2)cc1OC 70015463 GHKWNXGACIXKMM-QGZVFWFLSA-N 429.521 2.011 0 40 IEAB CCN1c2ncccc2C(=O)NC12CCN(C(=O)[C@H](C)c1n[nH]c(=O)c3ccccc13)CC2 72347119 BVJOJPUXNXXSHR-OAHLLOKOSA-N 446.511 2.010 0 40 IEAB COc1cccc(S(=O)(=O)N2CCC[C@H](c3nc(CN(C)C)cc(N(C)C)n3)C2)c1 72370118 DZVKAYDAGVWCSY-INIZCTEOSA-N 433.578 2.181 0 40 IEAB Cc1cc2nnc(SCC(=O)N(c3ccc(F)cc3)[C@@H]3C=CS(=O)(=O)C3)n2c(C)n1 78875381 DEFJJLNMZHUCMF-MRXNPFEDSA-N 447.517 2.316 0 40 IEAB COc1ccccc1N1C[C@@H](C(=O)NCCn2c(C)nc3ccc(F)cc3c2=O)CC1=O 95474687 BAULYBCOTPKIMX-HNNXBMFYSA-N 438.459 2.022 0 40 IEAB CC(C)CN1CC2(CCN(C(=O)c3cnccn3)CC2)COc2ccccc2S1(=O)=O 96263516 MCTHIDSGBNKGHU-UHFFFAOYSA-N 444.557 2.438 0 40 IEAB CCS(=O)(=O)[C@](Br)(I)[C@H](O)c1ccc(N)cc1 96521099 IUYKYMGKRGPIGO-NXEZZACHSA-N 434.093 2.221 0 40 IEAB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@H]1[C@H]3Sc2[nH]c(=O)sc2C12CCCCC2 101262034 FUPMLKHYFHMFNU-SLQSZJTJSA-N 448.566 2.454 0 40 IEAB Cc1ccc(Cn2ccs/c2=N/C(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1 102744327 LMQCQOLHHLSDKQ-WJTDDFOZSA-N 448.504 2.287 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(N2CCOCC2)cc1 216381587 PIWAQMAYLYCSRR-UHFFFAOYSA-N 439.497 2.366 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)NCCCc2ccc(OC)c(OC)c2)Oc2ccccc21 218793321 GMQNYXREPZIAFD-OAQYLSRUSA-N 448.541 2.370 0 40 IEAB Cc1ccccc1OCCNC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 224116061 CZUGUQYMRDIHCQ-UHFFFAOYSA-N 434.514 2.465 0 40 IEAB CCCOc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224467949 BFZLQDOCCPFYSN-UHFFFAOYSA-N 448.541 2.305 0 40 IEAB O=C1COC(=O)N1C[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccccc1 238945476 WJWCJIJOYNHMKM-CQSZACIVSA-N 439.287 2.448 0 40 IEAB CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc2cc(C)ccc2F)[C@H]1c1ccccc1 257237982 HJBWGBNAWQKQLO-FUDKSRODSA-N 440.519 2.481 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1cccc(I)c1 408625797 ZFXRSDVAZVTKLS-OCKGCPIVSA-N 448.260 2.283 0 40 IEAB C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@]45[C@@H]6[C@H]7C(=O)[C@H]4[C@@H]4[C@@H]7C[C@@H]6[C@@H]45)CC3)cc2NC1=O 503357392 UGTOIOWXOJUHKP-AEVUPTJUSA-N 446.503 2.154 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3Cc4ccccc4N(C)C3)n(C)c2)C1 1557779737 PZDAHZCPRCEUAO-AEFFLSMTSA-N 430.574 2.237 0 40 IEAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)CCc1nc2cc(Cl)ccc2n1C 2037880172 MFRKHZJIIFXUDH-JOCHJYFZSA-N 442.951 2.439 0 40 IEAB O=C(CSc1nc(-c2cccs2)n[nH]1)N1CCN(S(=O)(=O)c2ccccc2)CC1 4198417 OILIWRVQMGSNFW-UHFFFAOYSA-N 449.583 2.158 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccc2)CC1 8662673 RICFKBBAPWXUJS-UHFFFAOYSA-N 429.542 2.199 0 40 IEAB Cn1c(=O)n(CCN2CCCCC2)c(=O)c2c1nc1n2CCN1c1cccc(Cl)c1 8709879 BOGXSBMQKFHQLZ-UHFFFAOYSA-N 428.924 2.188 0 40 IEAB NC(=O)[C@@H]1CN(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)c2ccccc2O1 8727517 DXTBLKZZYPDXAO-SFHVURJKSA-N 446.488 2.405 0 40 IEAB COc1ccc(CNC(=O)[C@H](C)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 8936473 RXCXKUOXKSVDDE-IBGZPJMESA-N 445.585 2.405 0 40 IEAB CCCCCC[C@@]1(C)NC(=O)N(Cc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 8965602 IVNYOPLLSTZVTR-OAQYLSRUSA-N 437.562 2.488 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2oc1=O 9139389 USJAPARMHTWDQN-UHFFFAOYSA-N 428.466 2.375 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 9426635 MCJXQUCANVGUGF-INIZCTEOSA-N 429.498 2.120 0 40 IEAB Cc1ccc(N2C(=O)N(CC(=O)N(C3CCCC3)[C@@H]3CCS(=O)(=O)C3)C(=O)[C@@H]2C)cc1 9613815 MDIYSKWELPEIKA-QFBILLFUSA-N 447.557 2.110 0 40 IEAB Cc1cccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)S(C)(=O)=O)c1 9667734 ZOMPUNCMDSFKOE-SFHVURJKSA-N 445.541 2.309 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1 9783766 LQIUVOVUMFRMOK-UHFFFAOYSA-N 425.510 2.373 0 40 IEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 10708628 HCMNFSSUQDIECB-CQSZACIVSA-N 437.543 2.149 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N1CCc3sccc3C1)c(=O)n2Cc1ccccc1 12216848 QNESNGKUFHXXAM-UHFFFAOYSA-N 449.536 2.074 0 40 IEAB CC(C)Cc1csc2c1c(=O)n(-c1ccccc1)c(=O)n2CC(=O)N1CCOCC1 12408388 NUQCEPSLVVDYLB-UHFFFAOYSA-N 427.526 2.271 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCOC(=O)c2cncn2-c2ccc(F)cc2)cc1 12628292 DNXUQHMPYHPLBI-UHFFFAOYSA-N 433.461 2.498 0 40 IEAB CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 12820632 KMJHKTFXGNKCFX-UHFFFAOYSA-N 431.961 2.480 0 40 IEAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12901868 NZJHXHGIPKSDPT-UHFFFAOYSA-N 436.553 2.371 0 40 IEAB COc1ccccc1N(CCC(N)=O)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 13013814 LCJIZDPNLPGHLS-UHFFFAOYSA-N 445.541 2.392 0 40 IEAB Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1F 13513712 FZEDUVUZSZISEM-HNNXBMFYSA-N 444.492 2.149 0 40 IEAB O=C(NCC(=O)N1CCC[C@@H](C(=O)Nc2ccc3oc(=O)ccc3c2)C1)c1ccccc1 13724712 FPPTVXVKWFOIAU-GOSISDBHSA-N 433.464 2.400 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)c3cccc(F)c3)[nH]c2=O)C1 19293537 XNWYCNGIYZFGIW-FQEVSTJZSA-N 447.470 2.480 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[nH]c2=O)C1 19404957 KFNMUIFFUZOTLH-UZLBHIALSA-N 433.512 2.383 0 40 IEAB CN1CCC2(CC1)C[C@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1O2 23151854 DOZOQMYJSTZRLJ-SFHVURJKSA-N 430.530 2.444 0 40 IEAB O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C(F)(F)F)nc1 26435679 UYUZRQRVQOESIN-UHFFFAOYSA-N 430.404 2.478 0 40 IEAB O=C1C[C@H](C(=O)Nc2ccc(Br)cc2)c2c(nc(N3CCCC3)[nH]c2=O)N1 38828299 AMCBCVMILPSRGE-LBPRGKRZSA-N 432.278 2.197 0 40 IEAB NS(=O)(=O)N1CCc2ccc(NC(=O)C3(c4ccc5c(c4)OCCO5)CCCC3)cc21 40150922 PJLKCURWMFYZAC-UHFFFAOYSA-N 443.525 2.474 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccc3OC)CC2)NC(=O)N[C@H]1c1ccccc1 57414251 BZBJAFXIUGNIEQ-QFIPXVFZSA-N 436.512 2.298 0 40 IEAB COc1ccc(SCC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)cc1 90608297 ARNPGMBIUSXWHC-UHFFFAOYSA-N 440.587 2.368 0 40 IEAB O=C1NC(=O)[C@@H](Cc2ccc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)N1 95456109 GKRIKYXGBCZFAQ-GOSISDBHSA-N 427.892 2.445 0 40 IEAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)Cc3ccc(OC)cc3)CC2)O1 96263182 CWHAHBFZYRTCND-FQEVSTJZSA-N 440.544 2.219 0 40 IEAB COc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@@H]32)c1 101168801 HWVXWRSNFDDDHB-QZTJIDSGSA-N 443.847 2.289 0 40 IEAB Cc1ccc(CN(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 223892402 LHORWKBVAPRLRQ-INIZCTEOSA-N 438.571 2.038 0 40 IEAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 224063733 HASWYLAQLYJZCE-LJQANCHMSA-N 445.585 2.357 0 40 IEAB Cc1cc(OCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)ccc1Cl 224234759 JVNKVWOPUUIEHZ-UHFFFAOYSA-N 426.922 2.473 0 40 IEAB COC(=O)c1cc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc(C(=O)OC)c1 224389823 AWLQYYUEWYYZKL-UHFFFAOYSA-N 446.481 2.442 0 40 IEAB COc1cccc(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 225025938 UWEARNZNRDEKOU-UHFFFAOYSA-N 436.530 2.082 0 40 IEAB COc1ccc(CN2C(=O)[C@H](CC(=O)NC[C@H]3CCCN4CCCC[C@@H]34)N=C2O)cc1 252527505 CSOJIBDUSPFKHQ-HOJAQTOUSA-N 428.533 2.091 0 40 IEAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2C)c1 408615764 RWJCSBWTICAMGR-UHFFFAOYSA-N 431.558 2.475 0 40 IEAB COC[C@@H](C)NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1 408625776 YCDAQAHUIXUEKN-OAHLLOKOSA-N 428.551 2.178 0 40 IEAB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Br)cc1 408656567 FPVAKASDQJOARY-YDOWWZDFSA-N 449.301 2.352 0 40 IEAB O=S1(=O)CC[C@H](N(Cc2ccco2)S(=O)(=O)c2ccc(Br)cc2)C1 575421528 JWAIOQRUJXLBGY-ZDUSSCGKSA-N 434.333 2.420 0 40 IEAB O[C@H]1CCN(Cc2cccc(OCCn3ccnc3)c2)C[C@]1(O)COc1ccc(F)cc1 585281203 GOEKMEUVFLNSTI-ZEQRLZLVSA-N 441.503 2.478 0 40 IEAB Cc1ccnc(NC[C@H]2CCN([C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C2)c1 590935779 XECDNMRVCWIIRI-QZTJIDSGSA-N 445.589 2.401 0 40 IEAB COc1ccc(C(=O)N2CCC[C@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)c(OC)c1 2055835409 ZYAVWQQSEGZPIM-QHCPKHFHSA-N 438.484 2.166 0 40 IEAB COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2cc(OC)ccc2OC)c1 932125 ZNDRTGYTJODVRS-UHFFFAOYSA-N 431.474 2.428 0 40 IEAB COc1nc(N(C)C)nc(N(C(=O)C(C)(Cl)Cl)S(=O)(=O)c2ccc(C)cc2)n1 1099654 SGUJZDSNBHBXLA-UHFFFAOYSA-N 448.332 2.170 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)CN(C)Cc2cccc(OC)c2)c(=O)[nH]c1=O 2652529 JENZAHGISUZBFO-UHFFFAOYSA-N 445.564 2.049 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3cccc4nsnc34)cc2c1 6408174 WKMPASOMFLTKOU-UHFFFAOYSA-N 430.511 2.024 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccc(-n2cnnn2)cc1 9499690 VDJCQKZHEORSNN-UHFFFAOYSA-N 426.502 2.018 0 40 IEAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(CC)cc4)c(C)c(C)n23)n(C)c1=O 9829466 OICRISJXEXYLRB-UHFFFAOYSA-N 437.500 2.271 0 40 IEAB COc1ccc(OC)c(N2CCn3c2nc2c3c(=O)n(Cc3cccc(C)c3)c(=O)n2C)c1 10102809 FTWZFESVWDSUCT-UHFFFAOYSA-N 447.495 2.422 0 40 IEAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 10519061 LVIPLNPHGHTLTI-JTQLQIEISA-N 436.433 2.373 0 40 IEAB CCc1nnc(NC(=O)CSc2nc3c(c(=O)n2CCOC)S[C@@H](C)C3)s1 11726507 LFDVGOQEYRDZMK-VIFPVBQESA-N 427.577 2.071 0 40 IEAB NC(=O)NCCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 12693748 HODQSOOONUUPMC-GHXNOFRVSA-N 431.301 2.204 0 40 IEAB O=C(O)Cn1c(=O)c2c3c(sc2n(CC(=O)Nc2ccc(Cl)cc2)c1=O)CCCC3 13608222 OSIDYDLWJUUXHP-UHFFFAOYSA-N 447.900 2.480 0 40 IEAB COc1ccccc1NC(=O)Cc1nnc(SCC(=O)Nc2ccccc2O)n1C 13956078 MLCVSIQTOIIFLD-UHFFFAOYSA-N 427.486 2.441 0 40 IEAB COc1ccc(CNC(=O)CSc2nnc(CNC(=O)c3ccccc3F)n2C)cc1 13956387 DIGYKKIIVXMEDK-UHFFFAOYSA-N 443.504 2.301 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC12CC3CC(CC(C3)C1)C2 18113998 SWVWGXYIKBLFGC-UHFFFAOYSA-N 434.558 2.415 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccccc1 20568098 OOZWLCOZJDKJPO-UHFFFAOYSA-N 430.530 2.174 0 40 IEAB C[C@@H]1CN(C(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)C[C@@H](C)O1 22768073 DYIDBMUWIPVNML-ZIAGYGMSSA-N 425.464 2.235 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(CCN2CCCC2)CC1 22785218 MXEFUGBNSRYNJI-UHFFFAOYSA-N 448.633 2.105 0 40 IEAB COc1cc(N2C[C@@H](C(=O)N3CC(=O)Nc4ccccc43)CC2=O)cc(OC)c1OC 23113259 OVONMUZOIAOKPM-ZDUSSCGKSA-N 425.441 2.051 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN([C@@H](C)C(=O)NC4CCCC4)CC3)cccc2c1 24669242 DPVUUTHRCUXMNE-KRWDZBQOSA-N 430.574 2.297 0 40 IEAB O=C([C@H]1COc2ccccc2O1)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 26870601 ORMYEJOMPJOBJR-LJQANCHMSA-N 440.887 2.061 0 40 IEAB COc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2 27663068 RRNQAMSOHUUFOP-LBPRGKRZSA-N 434.539 2.415 0 40 IEAB C[C@@]1(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)CCS(=O)(=O)C1 32971002 MSMXOJURGHRPLV-OAQYLSRUSA-N 448.566 2.135 0 40 IEAB CCOC(=O)N1CCC(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 33028322 QVYFCONRUGVFFB-KRWDZBQOSA-N 433.530 2.141 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN([C@H](C)C(=O)Nc4cc(C)on4)CC3)cccc2c1 40081918 DWRQMWMKWCCTBZ-MRXNPFEDSA-N 443.529 2.173 0 40 IEAB CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1)c1ccc(Cl)cn1 40149104 LOZBALIOEUBSIN-UHFFFAOYSA-N 443.356 2.358 0 40 IEAB O=C(COc1ccc(Cl)c(Cl)c1)NCC(=O)Nc1cccc2c(=O)[nH]nc(O)c12 48356045 LLOLRDXRYPPQLG-UHFFFAOYSA-N 437.239 2.069 0 40 IEAB CNS(=O)(=O)Cc1cccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)c1 60244932 RHVJOXBKQHWXDX-UHFFFAOYSA-N 433.530 2.021 0 40 IEAB CC(=O)N1CCC(NC[C@H]2O[C@H](Cc3cc(-c4cccc(O)c4)on3)CC[C@@H]2O)CC1 77263203 BWHWAHWCJRIRND-QNWVGRARSA-N 429.517 2.099 0 40 IEAB biogenic,in-vitro COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1I 95466404 YPXDPNVTHSJVRY-UHFFFAOYSA-N 436.202 2.413 0 40 IEAB O=C(CCn1c(=O)oc2ccccc21)N1CCN([C@H]2CCCN(c3ccccc3)C2=O)CC1 95998383 DARFEBDLBFRDDU-NRFANRHFSA-N 448.523 2.324 0 40 IEAB C[C@]12C=C[C@]3(O1)[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CC1 100432053 ATOYAMUCSJBORR-ZGKMFGPYSA-N 449.551 2.065 0 40 IEAB COc1cccc(N([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 220165459 TWHXNZFNOAQOAW-INIZCTEOSA-N 435.521 2.338 0 40 IEAB CC[C@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222496887 ADZFQRRBMJVBDX-OAHLLOKOSA-N 446.953 2.305 0 40 IEAB CC(C)c1nc2cc(C(=O)N3C[C@@H](O)[C@H](n4ccc5c(C(N)=O)ccnc54)C3)ccc2[nH]1 257259424 KYHAJIVRYHWLRP-RTBURBONSA-N 432.484 2.193 0 40 IEAB CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)c1cccc(OCCCN)c1 257266501 MDGWDKHNCBPGKX-UHFFFAOYSA-N 449.555 2.461 0 40 IEAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 408710033 MCVQXXAQTQDOPF-SFHVURJKSA-N 438.528 2.164 0 40 IEAB CSCC[C@H](NC(C)=O)C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575617671 QHRHLRZOZDROIC-IRXDYDNUSA-N 432.995 2.286 0 40 IEAB O[C@H]1CCN(CC2(O)CCN(c3cccc(F)c3)CC2)C[C@]1(O)COc1ccc(F)cc1 585282755 NNJQGLJPIWFFOV-UPVQGACJSA-N 448.510 2.173 0 40 IEAB Cc1cc(F)cc(CN2[C@@H]3CN(C(=O)NCc4ccccc4)C[C@@H]3OCCS2(=O)=O)c1 1534645934 VYZZZQRKLMRQFF-RTWAWAEBSA-N 447.532 2.259 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2F)n1 1775964212 XDJQKXWESXQIBY-HNNXBMFYSA-N 449.464 2.156 0 40 IEAB biogenic,in-vitro CC(=O)N1CCC(C(=O)N2CCC[C@@H](COc3ncc(Br)cn3)C2)CC1 1775994988 BGUCWBIOTKAUFW-CQSZACIVSA-N 425.327 2.115 0 40 IEAB CC(C)CCNC(=O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 1889038135 MOGJCNCMJXOVEN-UHFFFAOYSA-N 436.556 2.216 0 40 IEAB CC(C)c1ccc(CN2CCC[C@]3(CC(C(=O)N[C@H]4CCS(=O)(=O)C4)=NO3)C2)cc1 2056226427 RCHQSTJHGUNSSP-UGKGYDQZSA-N 433.574 2.224 0 40 IEAB O=C(COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)OCO2 2623584 JWNWQFPLMDYMOD-UHFFFAOYSA-N 442.449 2.029 0 40 IEAB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 6511121 FXZKGMPODRDGQQ-UHFFFAOYSA-N 447.513 2.302 0 40 IEAB COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(F)cc3F)=C2)c1 8587803 YPAXDUHOSNTSFD-UHFFFAOYSA-N 437.424 2.484 0 40 IEAB O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(c2ccccn2)CC1 9056731 AQPJNTUZKQSARM-UHFFFAOYSA-N 448.976 2.485 0 40 IEAB O=C(c1ccccc1)N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 9317170 KJGINSVNDNOOIW-OAQYLSRUSA-N 441.553 2.214 0 40 IEAB O=C(NCc1ccccc1Cl)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1 9600535 LJOXIBWQSVKDGO-KRWDZBQOSA-N 436.295 2.225 0 40 IEAB CCCn1c(N)c(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c(=O)[nH]c1=O 9638406 FDGCJZCTNAJKTJ-UHFFFAOYSA-N 444.492 2.236 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)ccc21 9739752 FATAJEXNMIYXGZ-UHFFFAOYSA-N 433.530 2.178 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)C2=O)cc1 10027053 CRXFKHSJFIUHJM-MQJDWESPSA-N 440.481 2.240 0 40 IEAB Cc1cc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1N1CCCC1 11326031 MNFCXXCCNDSUOR-UHFFFAOYSA-N 444.557 2.214 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)NCC3CCCCC3)CC1)O2 12087098 XYGIFRUMKMPVQX-DEOSSOPVSA-N 443.544 2.265 0 40 IEAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1nnc2ccccn12 12983795 BTWMKTCOYRFORI-AWEZNQCLSA-N 448.936 2.160 0 40 IEAB C[C@H]1CCCN(C(=O)[C@@H](C)Sc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)C1 13018209 FMKYRFKANZSIRP-QWHCGFSZSA-N 433.578 2.064 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 14236509 YEVSYAQOTKWPFV-QGZVFWFLSA-N 447.513 2.363 0 40 IEAB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 14246367 NNUHENPGJXIXET-LLVKDONJSA-N 425.894 2.357 0 40 IEAB C[C@@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1sccc1C(N)=O 21601865 NTGLQYJZNBTOGN-TWSLPJAOSA-N 433.530 2.050 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(Cc4ccccc4F)CC3)C2=O)cc1 23440990 KPGLQOGGZCUTGC-DEOSSOPVSA-N 438.503 2.246 0 40 IEAB CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 26110708 YNTVJODVXYNRNL-AWEZNQCLSA-N 434.389 2.309 0 40 IEAB Cc1cc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)on1 36389734 WXXGNFXBSGTRIR-CYBMUJFWSA-N 446.451 2.335 0 40 IEAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1ccc(-n2cccn2)nc1 39538238 FVYRSXFSVGCKHC-UHFFFAOYSA-N 428.290 2.466 0 40 IEAB Cc1ccc(-c2cnc(CCC(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)o2)cc1C 40089313 QUGWTCMCZQNESO-HDICACEKSA-N 449.573 2.446 0 40 IEAB COC(=O)c1cn(Cc2ccc(OC)c(F)c2)nc1S(=O)(=O)N1CCC(C)CC1 49402174 MOBNVOOOTYVMQS-UHFFFAOYSA-N 425.482 2.286 0 40 IEAB COc1cccc(Cn2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)c1 57426806 SSBBAEKGXSWWEZ-UHFFFAOYSA-N 425.466 2.191 0 40 IEAB COCCOc1ccc(NC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cn1 69946241 AWDPDEZLMMJJDS-HNNXBMFYSA-N 441.488 2.334 0 40 IEAB C[C@@]12CCCN(C(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)[C@@H]1CCc1cncnc12 72342443 BTTCHPQUJBRWBP-DENIHFKCSA-N 426.542 2.307 0 40 IEAB CCOC(=O)[C@@]1(C)CCCN1C(=O)CCn1cnc2ccc(Br)cc2c1=O 89978154 JXAYPGGQEXMVTI-LJQANCHMSA-N 436.306 2.493 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC3CCN(C)CC3)CN(C)C(=O)C2)cc1 96113453 XREJMXZXGBRPJD-TZIWHRDSSA-N 430.593 2.012 0 40 IEAB biogenic,in-vitro CCOc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]32)cc1 101166215 QYEGCUUQMCNPED-VQTJNVASSA-N 437.456 2.416 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]32)cc1 101169612 KKZLDFGOINJPSF-DLBZAZTESA-N 431.811 2.420 0 40 IEAB COc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 224309733 YLDXLYXTGNEROC-KRWDZBQOSA-N 448.541 2.442 0 40 IEAB Cc1ccc(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 224466421 UMLOLBJXWAIZDB-UHFFFAOYSA-N 432.542 2.062 0 40 IEAB COC(=O)Cn1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc21 408552375 SIHYTHFFZLUNQT-LICLKQGHSA-N 427.482 2.473 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)cc1C 408591520 JJZKBFZQLMIQNR-QGZVFWFLSA-N 447.557 2.028 0 40 IEAB C[C@]1(c2cccc(-c3noc(-c4ccc5c(=O)n6c(nc5c4)CCC6)n3)c2)NC(=O)NC1=O 544392600 QTNBNCMCRMTWPX-HSZRJFAPSA-N 442.435 2.114 0 40 IEAB O=S1(=O)CC[C@@H](N(Cc2ccco2)S(=O)(=O)c2ccc(Br)cc2)C1 575421516 JWAIOQRUJXLBGY-CYBMUJFWSA-N 434.333 2.420 0 40 IEAB Cc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4ccc(F)cc4)C3)CC2)cc1 585284146 VHWHNPPWRLXARL-ZCYQVOJMSA-N 444.547 2.342 0 40 IEAB COc1ccc(OC)c(N(CC(=O)N[C@H]2CCCC[C@@H]2O)S(=O)(=O)c2ccccc2)c1 6924478 VKBYMAUYWIQTJK-ICSRJNTNSA-N 448.541 2.319 0 40 IEAB CN1C(=O)c2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O 9069126 IPCORDDNUUCGLK-QGZVFWFLSA-N 447.900 2.358 0 40 IEAB Cc1cn2c3c(=O)n(Cc4c(F)cccc4Cl)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 9187752 MYTGSDZNYFCWFL-ZDUSSCGKSA-N 445.882 2.478 0 40 IEAB CCc1ccccc1-n1c(C)cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc12 9243065 HVXWKXCWHBXUEM-UHFFFAOYSA-N 434.544 2.495 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc21 9460003 WWWVPZKRJFAIBZ-UHFFFAOYSA-N 440.525 2.129 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCCn2cnc3ccccc32)CC1 10037261 XANIQHZRIOQXOI-UHFFFAOYSA-N 445.545 2.248 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 11695321 FIPGBZMGNZAMBP-UHFFFAOYSA-N 438.509 2.426 0 40 IEAB CCOCc1nnc(NC(=O)CN2CC3(CCOCC3)Oc3ccccc3C2=O)s1 12086860 CDDBXNAUIJTDKR-UHFFFAOYSA-N 432.502 2.097 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 12185164 PLWFOIIEDNVIBA-VKFSDXRQSA-N 427.501 2.242 0 40 IEAB Cn1c(CCC(=O)NCC(F)(F)F)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12525294 FDBBSYAURIFYHY-UHFFFAOYSA-N 432.468 2.359 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)cc1 12650822 KJHLNPASPCOCPA-UHFFFAOYSA-N 435.521 2.194 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1 12761142 JCBQQSDEBUHFQX-UHFFFAOYSA-N 442.537 2.499 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)cc2)C[C@@H](C)O1 13040867 BUCMBUNPXXONCY-BBWFWOEESA-N 449.573 2.214 0 40 IEAB COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1 13085157 LWGAEMIENXCOGS-JOCHJYFZSA-N 441.503 2.303 0 40 IEAB CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCC(=O)NC1=NCCS1 13956107 BZJLIYRROXRTBS-UHFFFAOYSA-N 432.575 2.407 0 40 IEAB CCn1nc(C)c(CN2CCO[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c1C 19762381 GFQBRLSZHNHLMM-QHCPKHFHSA-N 437.544 2.364 0 40 IEAB Cc1cccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)c1 21264346 PGSPBBBDAYXLJW-UHFFFAOYSA-N 428.558 2.103 0 40 IEAB Cc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C 22228694 FVUTYWKNRHPRKU-UHFFFAOYSA-N 429.542 2.385 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cccc(OC)c2)cc1 22229136 INLOXYNDDSCZMN-UHFFFAOYSA-N 433.530 2.023 0 40 IEAB Cc1ccc(CN(C)C(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)c(C)c1 22935396 DGWYAYDJCMDQRO-OYRHEFFESA-N 428.621 2.384 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C(=O)NC(C)C 26112240 BJRAGFFCPHNBIA-UHFFFAOYSA-N 431.558 2.340 0 40 IEAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccc2ccccc12 32755012 DSXBXNQKMQOHGT-INIZCTEOSA-N 437.521 2.451 0 40 IEAB COc1ccc(S(=O)(=O)NCCNc2cc(-n3ccnc3C)nc(C)n2)cc1Cl 35598097 PAKVDHFFDKBXQQ-UHFFFAOYSA-N 436.925 2.332 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cn(-c3ccccc3)nc1C(=O)OCC)n2C 48230062 GACVDBLPEVKBNY-UHFFFAOYSA-N 436.472 2.253 0 40 IEAB COc1ccc(CNC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1OC 67300334 YAQCRFIDVBCBMX-UHFFFAOYSA-N 437.496 2.087 0 40 IEAB Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 69846074 NSKPKPUAHJXSIJ-HOTGVXAUSA-N 440.548 2.301 0 40 IEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@@](O)(Cc1ccccc1)c1ccccc1 72304395 JQOJVKXJBZMZQE-SANMLTNESA-N 443.503 2.327 0 40 IEAB CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc2c(c1)CCO2 90607298 ZAZUIWZIMVBIAE-FQEVSTJZSA-N 436.512 2.106 0 40 IEAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccccc1CN1CCC[C@H]1CO 96011733 YRHRAEKZRQAMAF-FQEVSTJZSA-N 440.935 2.267 0 40 IEAB Cc1nc(CN2CCN(C)C(=O)C23CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cs1 96230307 XOBHGKYWABLSJO-UHFFFAOYSA-N 442.541 2.129 0 40 IEAB CCOC(=O)CCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 101262851 MFASYSIHSLHQSR-QCUBABQUSA-N 436.555 2.009 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2nc(-c3ccccc3Cl)no2)Oc2ccccc21 219270594 IEZVXUPVJFHUBR-INIZCTEOSA-N 448.888 2.233 0 40 IEAB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NCCSc3ncn[nH]3)cc2)c1 222690611 UNKKKIFXAULNIP-UHFFFAOYSA-N 447.542 2.201 0 40 IEAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[nH]c(=O)c21 223054111 XXOQFPUNYORVND-ZIAGYGMSSA-N 425.489 2.469 0 40 IEAB COc1ccc(CCC(=O)N[C@@H](CN2C(=O)COC2=O)c2ccccc2)c(OC)c1OC 225636026 VITOPIAJPAQKOV-KRWDZBQOSA-N 442.468 2.481 0 40 IEAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)sc(=O)n4C)n2)c1 225684217 YBQLYTMPQKQZQR-UHFFFAOYSA-N 432.483 2.137 0 40 IEAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C(=O)CS(C)(=O)=O)C4)nn3c2)c1 306133766 MVKLANCZDXACHE-KRWDZBQOSA-N 428.514 2.156 0 40 IEAB Cc1cc(C)cc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccccc2)c1 408602130 CJRJKONTSVOMCR-UHFFFAOYSA-N 445.585 2.337 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1 408618930 GTWOBWZMMWYDKB-GOSISDBHSA-N 431.558 2.097 0 40 IEAB O=C(Nc1n[nH]c2ccc(NC(=O)[C@@H]3CCc4nccn4C3)cc12)[C@H]1CCc2nccn2C1 682518416 ACTFUIIXCSEQEG-CABCVRRESA-N 444.499 2.358 0 40 IEAB O=C(NC1CCCC1)c1nnc2n1CC[C@@]1(CC2)CCN(C(=O)c2cnn3ccccc23)C1 2055785546 PDEGXECZQKHHRG-XMMPIXPASA-N 447.543 2.467 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2ccc(OCC)cc2)S(C)(=O)=O)CC1 785182 UOHUAFLXBIZWRV-OAHLLOKOSA-N 426.535 2.042 0 40 IEAB CC(=O)Nc1cccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)c1 932490 WINVXAGWYSJJLX-UHFFFAOYSA-N 426.458 2.123 0 40 IEAB Cc1cccc(C)c1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363963 PUYQNHHFJZOIKK-KRWDZBQOSA-N 440.529 2.319 0 40 IEAB COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nnc(C)s3)n2C)cc1 9328525 OREUECYQKHLVSV-SNVBAGLBSA-N 447.546 2.205 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)cc1 12443546 VZJVGZLJQDOUMI-UHFFFAOYSA-N 442.497 2.424 0 40 IEAB COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2CCOCC2)nc1 12747997 RHHPRZYJRKSTOX-UHFFFAOYSA-N 442.335 2.168 0 40 IEAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)cc1F 12997798 YHEFUVVWCIVPPM-HIFRSBDPSA-N 435.525 2.442 0 40 IEAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1ccccc1F 14184412 OHIZCOPQGOLORF-UHFFFAOYSA-N 427.885 2.211 0 40 IEAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 16576341 FBBASVFXQVMZKC-GOSISDBHSA-N 432.542 2.224 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Cl)c3)c(=O)n2[C@@H]1c1cnn(C)c1C 19637351 GFQRJUNELQDTRY-QJKHOBJASA-N 442.928 2.104 0 40 IEAB CCn1cc(S(=O)(=O)N2CCO[C@@H](c3nccnc3-c3ccc(OC)cc3)C2)c(C)n1 19693434 BYYREALWPOXRHH-GOSISDBHSA-N 443.529 2.439 0 40 IEAB Cc1noc(CCC(=O)N2CCC(CC(=O)N3CCN(c4ccccc4)CC3)CC2)n1 19748391 WPDVVVZOWVFDLP-UHFFFAOYSA-N 425.533 2.288 0 40 IEAB O=S1(=O)C[C@H](NCCc2ccc(F)cc2)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 19797247 RKSXLSNJYYZJGZ-ROUUACIJSA-N 431.938 2.251 0 40 IEAB COC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)CC1 19866426 ZUGGZZPEGNJFPY-QGZVFWFLSA-N 442.965 2.293 0 40 IEAB CCOc1ccccc1NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2nn(CC)cc21 21713734 SUULXARTNVLIRC-UHFFFAOYSA-N 447.495 2.465 0 40 IEAB CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22328125 GXCWQTZELPLPDU-IBGZPJMESA-N 438.571 2.432 0 40 IEAB O=c1ccc(Br)cn1CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 24988703 JDAPTLMHQOIAFA-MDWZMJQESA-N 438.347 2.187 0 40 IEAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1nnc(C(F)(F)F)s1 29288891 VROIHORWJPLFJR-JTQLQIEISA-N 433.437 2.259 0 40 IEAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(F)c(C(N)=O)c2)c1 31986851 WMKMQPGQIPMVHO-UHFFFAOYSA-N 448.520 2.418 0 40 IEAB CN(C)C(=O)CN1CCN(C(=O)c2cc(Br)c(Br)s2)CC1 32716883 QRJBNIPWLUNCGD-UHFFFAOYSA-N 439.173 2.119 0 40 IEAB O=C(Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O)Nc1ccc2c(c1)OCCO2 35506007 XHEPRASBYVSNID-UHFFFAOYSA-N 446.419 2.302 0 40 IEAB CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 40155905 AZODBOVVMZJGOJ-CQSZACIVSA-N 447.435 2.256 0 40 IEAB CSc1ccc(CNC(=O)Cn2nc3c(N4C[C@@H](C)C[C@@H](C)C4)nccn3c2=O)cc1 49400323 IKBGKHUGDIHXNR-IYBDPMFKSA-N 440.573 2.412 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 58156716 TXEQHEJGVJSWGZ-QGZVFWFLSA-N 449.548 2.239 0 40 IEAB C[C@H](Oc1ccc(C(=O)NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cn1)c1ccccc1 65515918 MTTQKRKVNLVPMF-KURKYZTESA-N 447.557 2.390 0 40 IEAB Cc1cccc(CCNC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 72326350 NWJIONPXOCTSLV-MZNJEOGPSA-N 435.528 2.002 0 40 IEAB O=c1[nH]cccc1-c1noc(C2CN(S(=O)(=O)c3ccc(Br)s3)C2)n1 77099653 VRWAPCQRGSXHKI-UHFFFAOYSA-N 443.304 2.037 0 40 IEAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NS(=O)(=O)CCN2C(=O)CCCC2=O)C1 77100743 CTULPNAGINPWBW-IAGOWNOFSA-N 437.518 2.005 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2nnn(-c3ccccc3OC)c2-c2ccccn2)CC1 77199915 GZUQIYAWGWAASI-UHFFFAOYSA-N 436.472 2.252 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCc3cccnc3)CC2)cc1 101497866 WLCMNJMAOLIDGF-IZAXUBKRSA-N 444.557 2.441 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222414792 VTABWBVKDDLCCS-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB C[C@@H](C(=O)NCCSC1CCCC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224059240 FADSZEMDNTUMKK-AWEZNQCLSA-N 428.576 2.404 0 40 IEAB COc1ccccc1N(CCCC(=O)NC[C@@H]1COc2ccccc2O1)S(C)(=O)=O 225276504 TZAHDRFLPABDRV-MRXNPFEDSA-N 434.514 2.198 0 40 IEAB CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(CC(=O)Nc2cnn(C)c2C)C1 257255956 KJNZGDGKAKVJAP-HSZRJFAPSA-N 442.564 2.384 0 40 IEAB C[C@]1(c2ccc(CNC(=O)N3CCO[C@@]4(CCc5ccccc54)C3)cc2)NC(=O)NC1=O 512109128 ZOCVUUWZOWTXEV-RPWUZVMVSA-N 434.496 2.125 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(c2ncnc(C3CC3)c2F)CC1 1888899152 JCTIKAPNESVNRI-UHFFFAOYSA-N 434.493 2.165 0 40 IEAB COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C=C(C(=O)O)[C@@H]2CO)cc(OC)c1O 1868295 XCPQBTNKYMMDJL-GUYCJALGSA-N 432.425 2.354 0 40 IEAB biogenic Cn1c(=O)c2nc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n(C)c2n(C)c1=O 8673550 FWIYQVQFZRIMSG-UHFFFAOYSA-N 428.301 2.008 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(S(C)(=O)=O)cc2)cc1 9131013 CMOSVEYWVMXPQF-UHFFFAOYSA-N 439.559 2.171 0 40 IEAB COc1ccc2c(C)c(CCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1C 9451113 IIYHXXIEPHLEGW-UHFFFAOYSA-N 444.509 2.315 0 40 IEAB O=c1c2ccccc2nnn1CSc1nnc(N2CCOCC2)n1Cc1ccccc1 9547079 GMJMWYNWQIENRA-UHFFFAOYSA-N 435.513 2.018 0 40 IEAB CC(C)Cn1cnc2c1c(=O)n(CC(=O)NCc1ccccc1)c(=O)n2Cc1ccccc1 9712392 APYCCIYROLPKQN-UHFFFAOYSA-N 445.523 2.380 0 40 IEAB COc1ccc(C(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)cc1Br 10794966 OFDONTFNHJZHOC-UHFFFAOYSA-N 428.260 2.145 0 40 IEAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)OCO3)no1 12028786 NDYACMIWKJBBPM-INIZCTEOSA-N 429.454 2.240 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@@H](C)c4nn(C)c(=O)c5ccccc45)C3)cc2n1 12134515 ZMMCWBWXOTXQRY-HOTGVXAUSA-N 446.511 2.500 0 40 IEAB CC1CCN([C@@H](CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2cccs2)CC1 12799409 VTYRSOMLXFDKEU-KRWDZBQOSA-N 434.587 2.135 0 40 IEAB CCOc1ccc(N(CC(=O)NCCOC)C(=O)CCC(=O)Nc2nccs2)cc1 13501894 COXUJBUNAOPRIF-UHFFFAOYSA-N 434.518 2.056 0 40 IEAB N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)S1 17096417 YZJQRUFPUAURMV-MRXNPFEDSA-N 429.429 2.360 0 40 IEAB O=C(c1ccccc1F)N1CCc2c(nc([C@H]3CCN(Cc4ccncc4)C3)[nH]c2=O)C1 19347705 RGOARHQOKSGFJC-KRWDZBQOSA-N 433.487 2.492 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)[nH]c2=O)C1 19501660 BWRVYGLSHUTDMR-IBGZPJMESA-N 438.532 2.423 0 40 IEAB CNc1nc([C@@H]2CCCN(C(=O)COc3ccccc3F)C2)nc2c1CN(C(C)=O)CC2 19710481 VXPMIGQEJPPDOE-MRXNPFEDSA-N 441.507 2.347 0 40 IEAB COc1ccc(C(=O)N2CCC(N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 19890108 FPIOVJCHZBZYNR-HXUWFJFHSA-N 425.460 2.361 0 40 IEAB CSc1nc2nc(C)c(CC(=O)NCC3(N4CCOCC4)CCCCC3)c(C)n2n1 23806063 YNFKRIQKDPKMSY-UHFFFAOYSA-N 432.594 2.157 0 40 IEAB CCn1c(=O)c2ccccc2n2c(CNc3ccccc3C(=O)N3CCOCC3)nnc12 25728173 RQSVWRVEKXEUDB-UHFFFAOYSA-N 432.484 2.149 0 40 IEAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 32797639 SBMSHAPJGPWTNV-UHFFFAOYSA-N 440.490 2.462 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)O)c(Cl)c3)C2=O)o1 34794728 FLROVKTVBOZLFX-QPEQYQDCSA-N 434.788 2.276 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36108728 FLWKQCFNBFFNOE-NRFANRHFSA-N 439.537 2.053 0 40 IEAB COc1cccc(-c2c3c(=O)n(CCCN4CCOCC4)ccc3nc3nc(C)nn23)c1 40398503 RJIMYBFKVYVIGZ-UHFFFAOYSA-N 434.500 2.146 0 40 IEAB COc1ccc(NC(=O)c2ccc3nn(CC(=O)NCc4ccc(C)cc4)c(=O)n3c2)cc1 48986073 UCZXQMHMWDOYRX-UHFFFAOYSA-N 445.479 2.382 0 40 IEAB O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Br)cc1)C2)N1CCCCCC1 71279350 OVLCKPKDHJAJRP-UHFFFAOYSA-N 434.294 2.198 0 40 IEAB CCn1c(C2CCN(C(=O)c3sc(-n4cccc4)nc3C)CC2)nn(CCOC)c1=O 77147066 GFNXUDUFHDXOFM-UHFFFAOYSA-N 444.561 2.287 0 40 IEAB O=C(O)CC1(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CCOCC1 95970213 OJCTZCADWWKIPJ-UHFFFAOYSA-N 436.461 2.380 0 40 IEAB O=C(NCCc1ccccc1)N1CC[C@@H]2CN(Cc3cccnc3)S(=O)(=O)[C@@H]2CC1 96145454 SHGLXBOZDRJCAB-NHCUHLMSSA-N 428.558 2.260 0 40 IEAB COc1ccc([C@@H](O)[C@](Br)(I)S(C)(=O)=O)cc1 96521064 KXKRPUJMQBBADJ-ZJUUUORDSA-N 435.077 2.257 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225731862 OQCHKSRTTHMOLY-UHFFFAOYSA-N 444.435 2.168 0 40 IEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)N[C@H]1CN3CCC1CC3)NC2=O 247946122 JZPKEUKJIURZGC-ACSOVJIBSA-N 425.529 2.160 0 40 IEAB CCn1cc(CN2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 306140384 URQGBORHBNWFET-VWNXMTODSA-N 432.528 2.090 0 40 IEAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1cccc(OC)c1 408710032 MCVQXXAQTQDOPF-GOSISDBHSA-N 438.528 2.164 0 40 IEAB CN1CCN(S(=O)(=O)c2cccc(NC(=O)NC3(C)Cc4ccccc4C3)c2)CC1 509699277 PYRSFENNHHFUQU-UHFFFAOYSA-N 428.558 2.302 0 40 IEAB CN(Cc1ccccc1)C(=O)CNC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 516262654 RPDNGNYBBCCROX-QGZVFWFLSA-N 439.434 2.403 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)n2nc(C)cc2C)cc1C(N)=O 575613405 GZEJMHZMHWUKFJ-QGZVFWFLSA-N 434.543 2.237 0 40 IEAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCc1nnnn1-c1ccccc1 593072131 BRGIXRXZDAVSIQ-KRWDZBQOSA-N 440.891 2.245 0 40 IEAB COc1ccc([C@H](OC)[C@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1 1637373275 OLRGPCQKRFLRHJ-PBCWYRCBSA-N 444.503 2.231 0 40 IEAB CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Br)cc2)CC1 1314880 ONVPMTQCOZVHGV-UHFFFAOYSA-N 446.349 2.481 0 40 IEAB COC(=O)c1c(NC(=S)NC(=O)CN2C(=O)c3ccccc3C2=O)sc2c1CCC2 1783145 FNZWUTOAGKKSBE-UHFFFAOYSA-N 443.506 2.133 0 40 IEAB CN(C)CCNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 2282334 MUTZSKMODVVJGB-UHFFFAOYSA-N 443.577 2.296 0 40 IEAB COC(=O)[C@@H]1[C@@H](OS(=O)(=O)O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@H]12 5048147 XBZJQPNSUUABAM-JQEKZKEHSA-N 434.514 2.474 0 40 IEAB in-vitro CCOC(=O)C1=C(COC(=O)c2ccc3c(c2)OCCO3)NC(=O)N[C@@H]1c1ccccc1 8723934 JSVVPYMIEJBNGW-HXUWFJFHSA-N 438.436 2.486 0 40 IEAB Cc1ccccc1N(CC(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F)S(C)(=O)=O 8939987 BXDYLZJEVRTVKH-UHFFFAOYSA-N 443.447 2.275 0 40 IEAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccccc1 9134603 HLCMDDPVFVEILJ-MRXNPFEDSA-N 433.505 2.371 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCc2ccco2)cc1 9314826 RYWPEMBMUVJWTF-UHFFFAOYSA-N 427.482 2.151 0 40 IEAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 9414163 CWQGSQSXZRGQSR-UHFFFAOYSA-N 444.532 2.221 0 40 IEAB CCOC(=O)C1=C(CSc2nnc(-c3ccc(OC)c(OC)c3)o2)NC(=O)N[C@@H]1C 9666330 STXCALJZHSTMPO-SNVBAGLBSA-N 434.474 2.364 0 40 IEAB COc1ccc(OC)c(N2CCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)c1 10102824 NBUAUEQNXGCANF-UHFFFAOYSA-N 447.495 2.308 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCNS(=O)(=O)c1c(C)noc1C 10904923 QOVPIMWKTNUTCM-UHFFFAOYSA-N 445.545 2.138 0 40 IEAB CCCCn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccc(OC)cc1 11488829 YVBGJMBULGMPHI-OAHLLOKOSA-N 438.575 2.149 0 40 IEAB C[C@@H](Oc1ccccc1)C(=O)NCCn1ncc2c(=O)n(Cc3ccc(F)cc3)cnc21 12071736 DNQUYFBEJNDRRX-MRXNPFEDSA-N 435.459 2.364 0 40 IEAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)Cc4n[nH]c(=O)c5ccccc45)C3)cc2n1 12134578 CYSQYDTZJOZVFL-CQSZACIVSA-N 432.484 2.183 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)c(OC)c1 12443473 JNIMHBNDTGSTPW-UHFFFAOYSA-N 441.513 2.067 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)c1ccc(N2CCCC2=O)cc1 12568783 IFQWKZHNJHQZFH-UHFFFAOYSA-N 433.555 2.064 0 40 IEAB CCOC(=O)c1sc2ncn(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)c2c1C 12776144 LUYMRPYYPNXEHI-UHFFFAOYSA-N 429.454 2.353 0 40 IEAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 12889253 RPVDBKDCPQRISZ-UHFFFAOYSA-N 445.541 2.366 0 40 IEAB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(Br)o1 12990230 UJYZKLGWRKMYAH-UHFFFAOYSA-N 433.262 2.057 0 40 IEAB COc1ccc(CNC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cc1OC 13133970 DJGNFPCBNWVANC-UHFFFAOYSA-N 443.452 2.298 0 40 IEAB CCc1ccc(N2C(=O)C[C@@H](N(O)[C@@H]3CC(=O)N(c4ccc(CC)cc4)C3=O)C2=O)cc1 13750872 ABMKAEDAQORVDR-WOJBJXKFSA-N 435.480 2.467 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)Cc2cc(C(C)=O)ccc2OC)c(=O)[nH]c1=O 15356266 NVGGBJKPRAYHEV-UHFFFAOYSA-N 444.532 2.362 0 40 IEAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2F)CC1 17845032 CBGJFGWGQMBMRE-UHFFFAOYSA-N 439.940 2.492 0 40 IEAB Cc1nc(C)n([C@H](C)CC(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 19285636 HKTHRILVLVIYNA-CYBMUJFWSA-N 425.489 2.298 0 40 IEAB COc1ccc(CNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)Cc3cn(C)nc32)cc1 19701515 ISPQAAPDYZUJBI-FQEVSTJZSA-N 440.525 2.033 0 40 IEAB CNCc1cc(N(C)C)nc([C@H]2CCCN(S(=O)(=O)c3cc(C)ccc3OC)C2)n1 19709644 IKERSOZRQKQYKP-INIZCTEOSA-N 433.578 2.147 0 40 IEAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc2c1CCC(=O)N2CCC(C)C 19741933 HUCHBOBYGDMBIA-KRWDZBQOSA-N 446.577 2.370 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C 20493127 YDUIGHWMHRJGOD-UHFFFAOYSA-N 434.499 2.395 0 40 IEAB CN(CCNC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccccc1 22331532 MODJXZYSQXDWLX-UHFFFAOYSA-N 440.363 2.468 0 40 IEAB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 22376929 ZBZIBLXWZHILSL-UHFFFAOYSA-N 428.510 2.463 0 40 IEAB Cc1cc(O)c([C@@H](c2cccc(F)c2)N2CCN(CCO)CC2)c(=O)n1Cc1ccco1 22698220 ZSPUSGDSGVCZOY-HSZRJFAPSA-N 441.503 2.342 0 40 IEAB O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(Cc2ccncc2)CC1 23800842 RUPHCIZWTRNIFK-UHFFFAOYSA-N 440.525 2.111 0 40 IEAB CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32894208 QOWXVTKBMZQCFA-OAQYLSRUSA-N 441.553 2.174 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)O)C2=O)o1 35375266 ZFJACSMDBRDEIM-ZECSTPGPSA-N 444.396 2.020 0 40 IEAB Cc1cc(NC(=O)CN2CCN(C(=O)c3c[nH]nc3-c3ccc(Cl)cc3)CC2)no1 36423501 YMLAALNQLDCARW-UHFFFAOYSA-N 428.880 2.423 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCc1ccc(CN3CCCC3)cc1)O2 38831838 CCNLYGLPWGQTJQ-QFIPXVFZSA-N 443.569 2.434 0 40 IEAB Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)NN3C(=O)NC4(CCCCC4)C3=O)C2)c1 40143661 COVGORTZSHGQKP-KRWDZBQOSA-N 426.517 2.442 0 40 IEAB CCCCCn1c(N2CCN(Cc3ccc(F)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952423 NUYZVEVHSVIGTE-UHFFFAOYSA-N 428.512 2.075 0 40 IEAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(OCc3ccncc3)c2)C[C@@H](C)O1 58379640 BYGHNYOZENQJKR-IAGOWNOFSA-N 448.545 2.221 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2nc(C)c3ccccc3c2=O)cc1 65603635 GABMKXWEZNXPPH-IBGZPJMESA-N 438.509 2.254 0 40 IEAB CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)CN4C(=O)CNC4=O)C3)n[nH]2)cc1 72371603 GSNPQOZFLYKBHO-QGZVFWFLSA-N 439.516 2.022 0 40 IEAB COc1cc(CN2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)ccc1OCC(N)=O 72393252 VTWQZTOXOGJCTA-KRWDZBQOSA-N 449.511 2.084 0 40 IEAB O=C(NCc1ccncc1)C1=NO[C@@]2(CCCN(C(=O)NCc3cccc(F)c3)C2)C1 96225298 MUVRMVVOSHIZII-QFIPXVFZSA-N 425.464 2.358 0 40 IEAB COC(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCN(C[C@@H](O)COc2ccccc2)CC1 97141150 YBMLXNWCGCYCTH-IFMALSPDSA-N 432.948 2.482 0 40 IEAB CCc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(OC)c4)C(=O)[C@@H]32)cc1 101169895 GYAWGVNLMMLQEQ-VQTJNVASSA-N 437.456 2.198 0 40 IEAB COc1cc(CN2Cc3ccccc3C[C@H]2C(=O)NCCCN2CCOCC2)ccc1O 199407322 SICYIPIQVSIUIW-QFIPXVFZSA-N 439.556 2.166 0 40 IEAB O[C@H]1C[C@H](SC2=N[C@@H](C(F)(F)F)C[C@@H](c3ccc4c(c3)OCO4)N2)[C@@H]2CO[C@@H]1O2 222437020 HWZQGAWBBFDJRA-ZAXXHLPPSA-N 432.420 2.345 0 40 IEAB CCc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 224100245 ORZPBVIITWCFQC-UHFFFAOYSA-N 432.542 2.387 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(CN3CCCC3)c2)cc1 224640233 XDPHHFVUIGFYPA-UHFFFAOYSA-N 431.558 2.228 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 245265788 IBVMBBMYHBTRJM-GYVFZPLRSA-N 432.517 2.306 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)Cn3c(=O)cc(C)c4ccccc43)C2)nc2c1CCN(C)C2 257320980 VZPIKLXSBMROLQ-KRWDZBQOSA-N 446.555 2.146 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 506701693 YAQRJNYZRNJPDV-FNFWKMNBSA-N 443.978 2.103 0 40 IEAB C[C@H]1COc2ccccc2CCCCC2(CCN(C(=O)Cn3cncn3)CC2)C(=O)N1 643563287 ZNDRUAANKZFOTJ-SFHVURJKSA-N 425.533 2.197 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 810797 NRLRQFVAQARXCY-UHFFFAOYSA-N 426.516 2.289 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)C1 879127 PJNNYTISODUAQG-OAHLLOKOSA-N 426.502 2.335 0 40 IEAB COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)N2CCOCC2)cc1OC 3248675 KJEZWTXOYSBWFE-UHFFFAOYSA-N 434.470 2.033 0 40 IEAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cnn(-c2ccccc2)c1 8855909 WACWBLDRQWZGDZ-UHFFFAOYSA-N 430.461 2.285 0 40 IEAB O=C(NC[C@@H]1CN(c2ccc(F)cc2)C(=O)O1)c1ccc(S(=O)(=O)N2CCCC2)cc1 9070799 DWTJPFOUPCRVCG-GOSISDBHSA-N 447.488 2.365 0 40 IEAB CCN(c1ccc(OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1)S(C)(=O)=O 10009967 UJHJKNOPEKSQAR-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB Cc1nnc(SC[C@H](C)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1 10249298 LQJYNSZYIOIMIA-LLVKDONJSA-N 435.579 2.002 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)C1 10708627 VDAZXJXJMWVWFO-AWEZNQCLSA-N 437.543 2.007 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)NCC3CCCCC3)CC1)O2 12087099 XYGIFRUMKMPVQX-XMMPIXPASA-N 443.544 2.265 0 40 IEAB CCn1nc(CC(=O)N2CCC[C@@]3(C2)NC(=O)c2ccccc2O3)c2ccccc2c1=O 12183812 ZELUBNGMCNQPLR-XMMPIXPASA-N 432.480 2.100 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3Cc4ccccc4C[C@H]3C(=O)N3CCCC3)ccc2N1 12815437 NZAIMAJWWJTPFQ-NRFANRHFSA-N 439.537 2.309 0 40 IEAB CC[C@H](C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O 12879320 ZSXAUMNXPAXHRB-XIRDDKMYSA-N 439.553 2.240 0 40 IEAB biogenic COCCNC(=O)[C@H](c1cccnc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1 13509350 PXUGQQZURZVNJQ-QHCPKHFHSA-N 444.495 2.363 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc3ccccc3c2)cc1 13566149 YJGOULDAFMCAMC-UHFFFAOYSA-N 440.510 2.194 0 40 IEAB COc1ccccc1C(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1 14183325 PUSMLAYRLWMPPV-UHFFFAOYSA-N 442.287 2.162 0 40 IEAB C[C@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 14245637 OJCCWYQKZXRREN-HNAYVOBHSA-N 429.494 2.108 0 40 IEAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)NC(=O)NC(C)(C)C 15695537 GCDPLPPPHBRRKQ-CQSZACIVSA-N 439.534 2.031 0 40 IEAB Nc1cc(-c2ccco2)nn(CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c1=O 19342452 FSIHEIILOGINKB-UHFFFAOYSA-N 429.864 2.214 0 40 IEAB C[C@H](C(=O)N1CCN(S(=O)(=O)c2c[nH]nc2-c2ccncc2)CC1)c1ccccc1 19459337 HBCSOVICNHFEPH-INIZCTEOSA-N 425.514 2.108 0 40 IEAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)COc1ccccc1F)CC2 19710292 RTYVRMPGYQAZBB-INIZCTEOSA-N 441.507 2.347 0 40 IEAB CC[C@H](C)NC(=S)N(CCN1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O 20081353 UPSUNVHHLZQNEN-INIZCTEOSA-N 432.590 2.344 0 40 IEAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 25132114 YZBKHCPXVVTDBV-UHFFFAOYSA-N 429.420 2.442 0 40 IEAB CCOc1cc([C@@H]2CC(=O)N=C3NC=NN32)ccc1OCC(=O)Nc1cccc(OC)c1 38311078 QNHAZTXNMAMBSX-KRWDZBQOSA-N 437.456 2.287 0 40 IEAB COc1ccc(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)cc1S(=O)(=O)NC(C)C 40146203 DCNVJSOKLLSKOJ-GOSISDBHSA-N 445.541 2.085 0 40 IEAB CC(C)OCCCNC(=O)Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O 44920062 MVUZULBPNGYTRO-UHFFFAOYSA-N 447.967 2.155 0 40 IEAB O=c1[nH]c(CNc2ccc(Br)cc2)nn1Cc1nnnn1-c1ccc(F)cc1 61720218 WFQYYAXHAHUGEQ-UHFFFAOYSA-N 445.256 2.109 0 40 IEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1ccccc1C(=O)N1CCCC1 72235929 YYBOXNAALXKHJM-XMMPIXPASA-N 432.480 2.255 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(Nc3nc(C(F)(F)F)cc(=O)[nH]3)CC2)cc1 72342166 XJLFBWUIKYZPBK-UHFFFAOYSA-N 432.424 2.063 0 40 IEAB C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(C(=O)CC3CCCCC3)CC1)C2=O 95441126 RIBGCEBNTGEDJV-QZTJIDSGSA-N 446.592 2.374 0 40 IEAB CC(C)C(=O)Nc1cc(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)c(F)cc1F 95976534 KPXOECXFKBNSID-UHFFFAOYSA-N 441.456 2.018 0 40 IEAB COCCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(C)c(C)cc21 101345283 OHSSKDZGLUDBOP-MVZUJROASA-N 425.576 2.065 0 40 IEAB Cc1ccc(N2C(=O)[C@@H]3CN[C@@]4(C(=O)Nc5ccc(Br)cc54)[C@H]3C2=O)cc1 102910406 ZWGQGNLBFCJSOG-OWDMVUQNSA-N 426.270 2.314 0 40 IEAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1[C@H]1CS(=O)(=O)C[C@H]1O 106537071 FLUXADHATCIBOK-GXTWGEPZSA-N 425.919 2.183 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223572732 ZAVVHMCGNBAPOV-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB CC(C)Sc1nnc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 224192100 PKMGAJTUDGXXRB-UHFFFAOYSA-N 444.560 2.215 0 40 IEAB COC(=O)c1ccc(Cl)c(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)c1 225286635 VTCWLIIKPQHIBG-UHFFFAOYSA-N 426.878 2.394 0 40 IEAB C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)[C@@H]1Cc2ccccc2O1 585098193 RNBINVBJSAWKBS-KKSFZXQISA-N 431.496 2.044 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@H]3CCOC(C)(C)C3)cc2)C1 1367494 UPOORBCRPUOJBY-HOTGVXAUSA-N 430.592 2.343 0 40 IEAB CCO/C=C1/C(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)c2ccccc21 3270603 ZMNXYNKVNAQOMR-HMMYKYKNSA-N 442.493 2.272 0 40 IEAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)n1cnc2c1c(=O)n(C)c(=O)n2C 8709904 UGAKRVYBSWLNOW-GOSISDBHSA-N 433.468 2.061 0 40 IEAB O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)N[C@H]1CCCc2ccccc21 8718766 JCSASBLKRSQVDI-FQEVSTJZSA-N 427.526 2.286 0 40 IEAB Cn1c(=O)c(C(=O)CNc2ccccc2N2CCCCC2)c(N)n(Cc2ccccc2)c1=O 9121192 NWWWPUHHNFEHSK-UHFFFAOYSA-N 447.539 2.463 0 40 IEAB O=C(CCCSC1=NN/C(=C2\C=c3ccccc3=N2)N1c1ccccc1)N1CCOCC1 9339161 BWMJRNYGVMJKJI-LNVKXUELSA-N 447.564 2.022 0 40 IEAB CC1CCN(C(=O)CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)CC1 9411472 COWTVRHHELMFJG-UHFFFAOYSA-N 445.570 2.106 0 40 IEAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC[C@H]1COc2ccccc2O1 9449513 FEMBKLFYKPROSZ-SFHVURJKSA-N 430.526 2.360 0 40 IEAB CSc1nc(COC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(=O)[nH]1 9742785 WZMRKJZUXPXZOA-INIZCTEOSA-N 439.559 2.237 0 40 IEAB C[C@@H](C(=O)NCc1ccc(F)cc1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1 12472613 JDXIMKUIRHVGCG-LBPRGKRZSA-N 441.488 2.315 0 40 IEAB C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cnc2c1c(=O)n(C)c(=O)n2C 12520559 UBAXPIPRZITNFW-MRVPVSSYSA-N 429.786 2.306 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)Cc2cnn(-c3ccccc3)c2)c(=O)[nH]c1=O 12890151 KLIPOIVAKUHDEX-UHFFFAOYSA-N 438.532 2.336 0 40 IEAB CCC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 13084680 FDVBHDHDFQFJCS-UHFFFAOYSA-N 429.473 2.323 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1N 13510493 NGJCKLSVKYJLGM-UHFFFAOYSA-N 430.465 2.496 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](NC(=O)c3ccco3)C(C)C)CC2)c1 14228075 NTVKDWUGWDHTPY-FQEVSTJZSA-N 447.557 2.184 0 40 IEAB O=C(NCCn1ncc2c(N3CCCCCC3)ncnc21)[C@@H]1CC(=O)N(c2ccccc2)C1 17190154 VGRCYMLWKSIGPG-GOSISDBHSA-N 447.543 2.376 0 40 IEAB COc1ccc(S(=O)(=O)N2CC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)cc1C 19571407 SJGSUBNOWAZSNN-HNNXBMFYSA-N 426.498 2.327 0 40 IEAB O=C(Cn1cccc(C(=O)N2CCCC[C@@H]2CN2CCCC2)c1=O)NCc1ccccc1 19745674 IBQNUHNNLDYFCH-OAQYLSRUSA-N 436.556 2.255 0 40 IEAB Cc1c(C(=O)N2CC[C@@H](c3cc(C(=O)N4CCN(C)CC4)c4ccccc4n3)C2)cnn1C 19761434 GBAHJTZFPJTHIZ-GOSISDBHSA-N 446.555 2.294 0 40 IEAB CN(CC(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 21282388 UEZIUJCZLUOETI-UHFFFAOYSA-N 441.303 2.480 0 40 IEAB Nc1c(C(=O)CN2CCc3sccc3[C@H]2c2cccs2)c(=O)[nH]c(=O)n1C1CC1 27372057 CHTXWZDJRRRDFS-KRWDZBQOSA-N 428.539 2.407 0 40 IEAB COc1cccc(C(=O)N2CCN(C(=O)c3ccc(N4C[C@@H](C)O[C@H](C)C4)nc3)CC2)c1 30041410 HQVYIIAKCLLLDN-QZTJIDSGSA-N 438.528 2.302 0 40 IEAB CN(Cc1ccccc1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)c1ccc(C(F)(F)F)cc1 30879661 NZGQZEPGVHMYQD-FUMNGEBKSA-N 438.446 2.056 0 40 IEAB biogenic,in-vitro C[C@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1nc(-c2cccnc2)no1 32876108 QTDMVLXHSNNCIC-AWEZNQCLSA-N 446.558 2.316 0 40 IEAB COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CN4CCC3CC4)cc2)cc1 32925931 QOUFVUOYRHCJST-OAQYLSRUSA-N 445.541 2.085 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)cc1 59415194 QIFJRSYJVPXERO-UGCAPWQASA-N 445.475 2.352 0 40 IEAB biogenic COc1ccc(S(=O)(=O)c2cnc(N3CCN(C4CCCCC4)CC3)nc2N)cc1 67336311 NGROGFBMKWIEAS-UHFFFAOYSA-N 431.562 2.355 0 40 IEAB CCCc1c(C(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)[nH]c(C)c1C(=O)OC 70037933 LRCAJJOIKYZTLH-GOSISDBHSA-N 430.427 2.366 0 40 IEAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)C2)n1 79502267 YQMNVLMAZLXRMH-KRWDZBQOSA-N 429.546 2.488 0 40 IEAB NC(=O)[C@]1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CCCOC1 95444927 VDFYIOFLHOZEDK-KRWDZBQOSA-N 434.846 2.121 0 40 IEAB NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 95941399 TWHVQNKFGBEJOT-GJZGRUSLSA-N 428.455 2.114 0 40 IEAB CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(S(=O)(=O)CC(C)C)CC3)C1=O 96262673 LSVYNPUKEJFRRD-HSZRJFAPSA-N 448.633 2.204 0 40 IEAB CCOc1ccccc1N(CCCC(=O)N1CCC(C(=O)OC)CC1)S(C)(=O)=O 222615019 CTWICUFUGPUGHK-UHFFFAOYSA-N 426.535 2.043 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CC(C)C)CC1 223121440 AGWBMSRWUGJURD-UHFFFAOYSA-N 436.534 2.184 0 40 IEAB COc1ccc(OCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 224479040 HQYFKGLMTMGITH-SFHVURJKSA-N 440.905 2.071 0 40 IEAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225559850 OGPTYXHFDDELDE-UHFFFAOYSA-N 445.541 2.490 0 40 IEAB O=C1CCc2cc(S(=O)(=O)NC[C@](O)(c3ccco3)c3cccs3)cc3c2N1CC3 225590334 NTTZAOQQJXHZLL-NRFANRHFSA-N 444.534 2.391 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)COc2ccc(OC)cc2)Oc2ccccc21 260455475 VLXHGZPWRULQHE-QRWLVFNGSA-N 434.514 2.196 0 40 IEAB O=C(Cc1c(F)cccc1Cl)N1CCOC[C@]2(CC[C@@H](CN3CCOCC3)O2)C1 306127793 GHSOIUWDNWRTLL-KKSFZXQISA-N 426.916 2.130 0 40 IEAB Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c1C 408615871 UBBMBXSORYTMGH-AEFFLSMTSA-N 439.512 2.171 0 40 IEAB CCCn1cc(Cl)c(C(=O)NS(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](CC)O3)n1 585282205 ZOFBPGJZCKZPRB-ZDUSSCGKSA-N 426.882 2.175 0 40 IEAB Cn1cc(C(=O)N2CCN3C(=O)OC4(CN(c5ccc(F)cn5)C4)[C@H]3C2)c2ccccc21 1549162974 ZANMZDGLEPMPSF-LJQANCHMSA-N 435.459 2.248 0 40 IEAB CN(C[C@H]1COC2(CN(C(=O)Nc3ccccc3F)C2)CS1(=O)=O)C1CCCCC1 2332243002 XYYWVLDUMCCQBY-KRWDZBQOSA-N 439.553 2.490 0 40 IEAB C[C@@H](O)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 8934511 HDAYGVRHTVQPDN-MRXNPFEDSA-N 436.537 2.466 0 40 IEAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)o1 8966068 GECMRMJHCDYJQO-SECBINFHSA-N 447.448 2.091 0 40 IEAB Cc1n[nH]c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 9451092 SNKLQSINVVJPEU-UHFFFAOYSA-N 430.574 2.371 0 40 IEAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)COC(=O)c2cc[n+]([O-])cc2)cc1 9635195 UBFAJSUNQZEYCA-UHFFFAOYSA-N 449.463 2.097 0 40 IEAB Cn1c(=O)c2c(SCC(=O)Nc3ccc(Br)cc3)ccnc2n(C)c1=O 10217125 OHJPRUAKNWSQSD-UHFFFAOYSA-N 435.303 2.126 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccncc4)nn3)CC2)cc1 11698008 AKBGQVRWPYBBPV-UHFFFAOYSA-N 426.502 2.135 0 40 IEAB Cc1ccc(-c2ccc(=O)n(CCCNS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1 11738535 ZWZBVJVHGUZLLQ-UHFFFAOYSA-N 441.509 2.359 0 40 IEAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 12182406 SBYPDMSODHHTRH-OAHLLOKOSA-N 437.525 2.371 0 40 IEAB O=S(=O)(c1ccc(Br)s1)N1CCN(Cn2ncsc2=S)CC1 12886201 QIFZCXODXAXHCS-UHFFFAOYSA-N 441.423 2.462 0 40 IEAB CC1CCN([C@@H](CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c2cccs2)CC1 12911508 YYBSERFSEDQYCE-KRWDZBQOSA-N 434.587 2.135 0 40 IEAB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C1/C[C@@H](c2ccc3c(c2)OCO3)NN1 13572999 OYYJVRXXXKTNCU-FSLWVPIDSA-N 426.816 2.145 0 40 IEAB CCCNC(=O)[C@@H]1CN(C(=O)C2CCN(C(=O)c3ccco3)CC2)c2ccccc2O1 14184314 HYAZNHRTPUBTRN-FQEVSTJZSA-N 425.485 2.452 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1 17261396 MLOBEWPXCGCHLR-HXUWFJFHSA-N 430.526 2.299 0 40 IEAB CCS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CC3CCCC3)[nH]c2=O)C1 19520454 HBLXOHZXTFGVLN-GOSISDBHSA-N 436.578 2.112 0 40 IEAB CN(C(=O)CN1CCO[C@@H](c2nccnc2-c2ccc(C(N)=O)cc2)C1)C1CCCCC1 19693206 UOCLZALVRLOBTC-HXUWFJFHSA-N 437.544 2.407 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3C)CC1)C2=O 19699302 OTLLDADRGJLETH-UHFFFAOYSA-N 426.561 2.325 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)n1 19709630 FXYRFOCMBZTSDA-SFHVURJKSA-N 445.589 2.398 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCCN3CCOCC3)c2)cc1F 23078892 ABKLKQPQRKLZAE-UHFFFAOYSA-N 435.521 2.387 0 40 IEAB CNC(=O)CSc1nnc(N2CCN(C(=O)Cc3cccc4ccccc34)CC2)s1 23141767 KXGHMDVEHOOSJM-UHFFFAOYSA-N 441.582 2.421 0 40 IEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)c1 23148599 VBMIBWKEESDQKW-UHFFFAOYSA-N 438.933 2.437 0 40 IEAB O=C(CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(-c2nccs2)cc1 25042914 JMXOFAUCBRXFAH-INMHGKMJSA-N 434.543 2.156 0 40 IEAB Cc1noc(C)c1CSCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 32721582 LSVPTDLJHVJYFM-UHFFFAOYSA-N 425.532 2.184 0 40 IEAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CN2CCN(C(C)=O)CC2)nc1C 34888539 LEWUSTKOTQUQST-UHFFFAOYSA-N 444.557 2.326 0 40 IEAB C[C@H](C(=O)Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1)n1cncn1 48273574 GYOPXOAYWOMFID-SJORKVTESA-N 439.520 2.344 0 40 IEAB CCn1cc([C@H]2C[C@H](C(=O)NCC34CC5CC(CC(C5)C3)C4)N(C)S(=O)(=O)N2)c(C)n1 72335042 JESOFLVDRMRJSG-XXYORIAFSA-N 449.621 2.124 0 40 IEAB COCc1ccc(OC)c(CN2C[C@H]3CC[C@](O)(c4cnc(OC)nc4OC)[C@H]3C2)c1 72395416 NOBOGHSPGXJJRW-ICPLQIHGSA-N 429.517 2.378 0 40 IEAB COc1ccc(C(=O)N2CCC3(CC2)CC[C@@]2(C(=O)N(C)C)CN(C(C)=O)C[C@@H]32)cc1 96143789 BRDGHIZKYVHYCK-GBXCKJPGSA-N 427.545 2.264 0 40 IEAB CCOC(=O)CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCN1CCOCC1)C3 96298669 QQBZYVOCTPFIGF-UHFFFAOYSA-N 444.528 2.390 0 40 IEAB COCCCN(C(=O)/C=C\c1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 96866183 XQPRCKFKXBYCGM-HJWRWDBZSA-N 440.525 2.312 0 40 IEAB CCS(=O)(=O)N(CC(=O)N[C@@H](C)c1ccccc1OC)c1ccc2c(c1)OCCO2 224732034 YRENKTWODDDICF-HNNXBMFYSA-N 434.514 2.500 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)Nc1ccccc1OC 225328536 WZDFTICQYUBYBD-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB CCOCC(=O)N1CCC2(CC1)CN(C(=O)OC)Cc1nnc(-c3ccc(F)cc3)n12 306131144 JXUCDRFYYPDCML-UHFFFAOYSA-N 431.468 2.020 0 40 IEAB COc1cc([C@H](CC(=O)NCCCn2ccnc2)c2oc(C)cc(=O)c2O)ccc1O 524732153 ZOERPYATLYEMQV-INIZCTEOSA-N 427.457 2.293 0 40 IEAB biogenic CCOc1ccccc1NC(=O)CN1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148488 JTHZUWAPNVWRGH-UHFFFAOYSA-N 442.438 2.315 0 40 IEAB CS(=O)(=O)N1CCC(c2nnc3sc(-c4ccc(Br)o4)nn23)CC1 1501040195 DSEMLNCTNCIZLI-UHFFFAOYSA-N 432.325 2.347 0 40 IEAB Cn1cc(-c2cnc(OC3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)nc2)cn1 1889269654 ATASJWAUOMXEJW-UHFFFAOYSA-N 430.472 2.141 0 40 IEAB COCCNC(=O)[C@H]1C[C@@H](NC2CCC(F)(F)CC2)[C@H](c2cnc(C(C)C)[nH]2)[C@@H]1O 2332241885 AWYHASFCYYNUPR-BURFUSLBSA-N 428.524 2.296 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)Cc1ccc(F)cc1 1368406 JOANDXYVNAIMSB-UHFFFAOYSA-N 427.523 2.393 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)nn1 3010202 IDPUFFMSLVKDSX-UHFFFAOYSA-N 449.539 2.474 0 40 IEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)N1CCc3ccccc31)C2=O 5365195 YYRDVRCGGKRKLB-IQMFZBJNSA-N 427.501 2.256 0 40 IEAB CCN1C(C(=O)N2CCOCC2)=C(OC(=O)c2ccccc2)c2ccccc2S1(=O)=O 9305786 BXEVRVXVDGXEMO-UHFFFAOYSA-N 442.493 2.095 0 40 IEAB CCOC(=O)c1sc2ccccc2c1S(=O)(=O)N1CCN(c2ncccn2)CC1 9320825 FUQLWJPMPDHIAS-UHFFFAOYSA-N 432.527 2.379 0 40 IEAB C[C@@H](CCc1ccccc1)NC(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O 9502924 RPXAPBCSJLFZAZ-FYSMJZIKSA-N 437.496 2.406 0 40 IEAB COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccccc3)[nH]c2=O)cc1 9518111 TZRBFHBUXDPLFP-UHFFFAOYSA-N 425.470 2.344 0 40 IEAB Cc1ccc(-n2nnnc2CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 9570608 BWNCEUMYZKVFBC-UHFFFAOYSA-N 440.529 2.075 0 40 IEAB COc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)c1 9660718 WOSYFQLJUWCRER-UHFFFAOYSA-N 434.427 2.393 0 40 IEAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccc(C)c(C)c4)c(C)c(C)n23)n(C)c1=O 9829465 BVNWOOXWILQWII-UHFFFAOYSA-N 437.500 2.325 0 40 IEAB CCN(CC)C(=O)Cn1nc2n(CC(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc3n2c1=O 12117650 ORJKKHNEOQCLCE-IAGOWNOFSA-N 440.548 2.014 0 40 IEAB CC[C@@H](C(=O)N1CCC(c2c(S(C)(=O)=O)cnc3ncnn23)CC1)c1ccccc1 12158809 TVIMDMBQDVTDDT-QGZVFWFLSA-N 427.530 2.428 0 40 IEAB COc1ccc2nc(SCC(=O)Nc3csc4nc(=O)c(C)nn34)nc(C)c2c1 12388872 KXWXQTXFEUXUGG-UHFFFAOYSA-N 428.499 2.450 0 40 IEAB CC(=O)N1CCN(CC[C@H]2CN(C(=O)Nc3ccc(F)cc3)CC[C@H]2CC(=O)O)CC1 12481456 VDGAKSGRFJHQPI-ROUUACIJSA-N 434.512 2.325 0 40 IEAB biogenic,in-vitro C[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)Nc1ccc(N(C)C)cc1 12515650 WGJAZZBWYSPYRO-LLVKDONJSA-N 425.894 2.237 0 40 IEAB O=C(Cc1c(F)cccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 12860986 ZPWWREUAGAPJMR-UHFFFAOYSA-N 428.869 2.387 0 40 IEAB COc1ccccc1C(=O)N[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)nc1)C(C)C 12997185 GBXVABSEICHWDD-NRFANRHFSA-N 425.533 2.235 0 40 IEAB CC(C)NC(=O)COC(=O)[C@H]1CS[C@]2(c3ccc(Br)cc3)CCC(=O)N12 13147058 SIAUMCMMUBANPU-KDOFPFPSSA-N 441.347 2.408 0 40 IEAB C[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13570087 IMUFDTRKOHFJKS-LBPRGKRZSA-N 430.511 2.204 0 40 IEAB CNc1nc([C@H]2CCCN2C(=O)COc2ccc(F)cc2F)nc2c1CCN(C(C)=O)C2 19707504 FHFXIONJLCBMEK-GOSISDBHSA-N 445.470 2.444 0 40 IEAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)ncc1C(=O)Nc1ccccc1 19755347 DBYBWJXIEMGLNR-QGZVFWFLSA-N 426.502 2.297 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)cc1C 20016347 PLNDROZXKVURNB-OAHLLOKOSA-N 436.530 2.394 0 40 IEAB COc1ccc(S(=O)(=O)NCc2ccc(-n3ccnc3)cc2)cc1C(=O)NC(C)C 20453475 HHJNEIMCIZDKSR-UHFFFAOYSA-N 428.514 2.498 0 40 IEAB O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(C(=O)c2ccco2)CC1 20479545 MAWNVNHSDPINAX-UHFFFAOYSA-N 439.424 2.165 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(SCC(=O)NC(=O)NC2CCCCC2)nc1 22119521 USUSXOMWJHOBAE-UHFFFAOYSA-N 428.580 2.363 0 40 IEAB CCn1nc(C)c(CNC(=O)Cn2cnc3c([nH]c4cc(OC)c(OC)cc43)c2=O)c1C 23126004 XQTBHBYNIANVHS-UHFFFAOYSA-N 438.488 2.045 0 40 IEAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NCCCN1CCCC1=O 24428971 CFVIFWIQACGSRE-UHFFFAOYSA-N 425.732 2.402 0 40 IEAB COCCn1c(N)c(N2CCCCC2)c(=O)n(CCCOc2ccc(C)c(C)c2)c1=O 32815490 VQQSTDBYKLOJFQ-UHFFFAOYSA-N 430.549 2.315 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)o1 40154149 RKPINKVBNFUHSE-UHFFFAOYSA-N 444.513 2.149 0 40 IEAB COc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 61939541 LLWNIVQPHZVXCX-UHFFFAOYSA-N 431.514 2.125 0 40 IEAB CCOC(=O)N1CCC(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2C(C)C)CC1 67239518 OQWFOQBJJFPAON-UHFFFAOYSA-N 435.550 2.443 0 40 IEAB CCOC(=O)C1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3Cl)NC(=O)N2)CC1 67285808 ZSOWRIWIRXDITF-GOSISDBHSA-N 435.908 2.396 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2F)CC1 68883358 HQWDDTGDJMBNPN-AWEZNQCLSA-N 425.913 2.495 0 40 IEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 71850195 VRNUXNRZUVJRKI-KRWDZBQOSA-N 433.555 2.344 0 40 IEAB CCCN1CCN(C(=O)CCn2cnnn2)[C@@H](Cc2ccccc2-c2ccccc2)C1=O 72351608 YTSPUMNUPVMEFM-QFIPXVFZSA-N 432.528 2.422 0 40 IEAB CN1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)[C@H](CNC(=O)OC(C)(C)C)C1 79074133 NNWALNKDNLRJEI-QZTJIDSGSA-N 430.549 2.245 0 40 IEAB CC(C)COc1ccc(NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1Cl 84544462 MOUXSOMUPTWRRO-UHFFFAOYSA-N 449.939 2.481 0 40 IEAB COC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 95404770 PCTOJWJAKKDHLZ-LJQANCHMSA-N 432.498 2.285 0 40 IEAB Cn1ncnc1COc1ccc(S(=O)(=O)N(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1 95461944 SZCVFFUNLLXVSH-HXUWFJFHSA-N 446.504 2.420 0 40 IEAB COC(=O)c1ccc(C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)cc1 96024209 PYHQDQNFUGGUME-UHFFFAOYSA-N 434.496 2.209 0 40 IEAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2ccccc2)CC3)C1=O 96144133 DZNYPQCLBDNKQW-DEOSSOPVSA-N 426.561 2.074 0 40 IEAB COc1ccccc1CN1C(=O)N[C@@H](CC(=O)NCCCc2nc3ccccc3[nH]2)C1=O 96231965 SRFKTXMNTMRZFL-SFHVURJKSA-N 435.484 2.131 0 40 IEAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)c1 220219577 SXWFCVDXCPMCLJ-INIZCTEOSA-N 436.530 2.362 0 40 IEAB COc1cc(Cl)cc2cc(C(=O)N3CC[C@H](O)[C@@H](N4CCN(C(C)=O)CC4)CC3)oc12 257227330 FOUCSHYFRUXZFK-ROUUACIJSA-N 449.935 2.224 0 40 IEAB O=C(NCc1ccccc1)c1cn2c(nc1=O)[C@]1(CCN(C(=O)c3ccsc3)C1)CC2 306143637 YHJBBHGCEIZERO-QHCPKHFHSA-N 434.521 2.422 0 40 IEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)CCN(C)C(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 511002954 WEJJITYCMQYIFT-NLZGTENKSA-N 440.496 2.360 0 40 IEAB O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)N2CCOCC2)CC1 525618676 ZNUWUSUIDGFHTB-UHFFFAOYSA-N 432.908 2.420 0 40 IEAB O=C(N[C@@H](Cc1cccnc1)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1)c1ccccc1 603464617 SRIDAOTWTDZPEX-FQEVSTJZSA-N 443.463 2.118 0 40 IEAB CC(=O)N1Cc2ccccc2C[C@@H]1c1nc(-c2cccc([C@]3(C)NC(=O)NC3=O)c2)no1 685286430 GOKVPPYCPRMMLI-JPYJTQIMSA-N 431.452 2.437 0 40 IEAB CCn1cc(S(=O)(=O)N2CCC[C@@H](COc3ncc(Br)cn3)C2)nc1C 1775996318 WWISXXVIXMDGON-CYBMUJFWSA-N 444.355 2.244 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCc4ccccc43)CC2)cc1 3476666 SFHHYLRNJXVMCD-UHFFFAOYSA-N 441.553 2.197 0 40 IEAB CCCCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H](CC)N(C)C 4144627 QRDZBHKGPVQDNL-CVEARBPZSA-N 445.655 2.219 0 40 IEAB CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)O 4899456 FPFOYSCDUWTZBF-IHPCNDPISA-N 430.549 2.184 0 40 IEAB O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)cc1)NC[C@H]1CCCO1 6551483 CCPWGOJODMWBNF-MRXNPFEDSA-N 434.493 2.329 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 6973853 CIAIUJQZKJQAOG-UHFFFAOYSA-N 432.498 2.141 0 40 IEAB O=C(NCc1ccccc1F)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 8601546 JQUVTOQDBOBOPA-IBGZPJMESA-N 430.457 2.366 0 40 IEAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 8601572 ZLYLWEMSTXJRDL-GOSISDBHSA-N 427.526 2.397 0 40 IEAB COCCNc1nc(SC)nc2c1cnn2CCNC(=O)c1cc(OC)cc(OC)c1 8943441 DTEVYIDKGKWSBC-UHFFFAOYSA-N 446.533 2.054 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2ccccc2)cc1 9708512 AQIHARFNSGENFJ-UHFFFAOYSA-N 436.555 2.197 0 40 IEAB CCCNC(=O)[C@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2O1 10037746 XPYQXFSLIHQUJL-OAQYLSRUSA-N 436.512 2.311 0 40 IEAB COc1ccc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(C(C)C)C3)C[C@H]2c2cc(O)nc(C)n2)cc1 12163582 YGQAXSIUTVTNNH-YSIASYRMSA-N 438.528 2.466 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H](c3nn(C)c4ncccc34)C2)cc1 12253739 CBKLNPVEBWTAJG-QGZVFWFLSA-N 441.557 2.215 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c(=O)n2Cc1ccccc1 12559109 PEKYVRQFLPTKKN-ZIFCJYIRSA-N 437.544 2.369 0 40 IEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)C1=O 12633688 QHEQMLOOAVHFMG-QHCPKHFHSA-N 434.452 2.142 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1 12789223 ZQOQCBIAZSURSD-UHFFFAOYSA-N 441.469 2.392 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)c1 12807266 JUHZEGHVPTTXNH-HXUWFJFHSA-N 428.510 2.211 0 40 IEAB Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)c1 13057673 LPODPQSMNHCOFX-UHFFFAOYSA-N 430.526 2.302 0 40 IEAB COc1ccc(CCNC(=O)[C@H](C)NC(=O)N2CCn3c2nc2ccccc23)cc1OC 13592400 WAFBLIKTIQRESA-HNNXBMFYSA-N 437.500 2.331 0 40 IEAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2C)c1=O)c1ccccc1 14068740 VZDLJUZJGXLMAF-OAHLLOKOSA-N 430.468 2.260 0 40 IEAB COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)NC(C)C 15345060 LDKDEYJRJGWBIZ-UHFFFAOYSA-N 431.558 2.340 0 40 IEAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15608577 XNWRVHJWLCWRMX-INIZCTEOSA-N 445.541 2.488 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 16692639 XRHQFKBTLZELML-UHFFFAOYSA-N 425.894 2.097 0 40 IEAB CC(=O)N1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)Oc2ccccc21 19311958 UPHIMMWPZPYXKS-FQEVSTJZSA-N 431.514 2.306 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CN(C(=O)Cc3ccc(OC)cc3)Cc3cn(C)nc32)cc1 19701540 DORZPFNPWMNAEW-JOCHJYFZSA-N 448.523 2.422 0 40 IEAB O=C(Cn1nnc2ccccc21)N1CCO[C@@]2(CC=CCN(Cc3ccccc3)C2=O)C1 19704465 KVAKKVXIRLIWBD-DEOSSOPVSA-N 431.496 2.018 0 40 IEAB Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCN(C(=O)c4ccccn4)C3)nc2n(C)c1=O 19743332 VBLIZSNIJOJQCC-LBPRGKRZSA-N 447.417 2.066 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@@H](O)COCc2ccc(Cl)cc2)C1=O 21559558 KZELVNSFMGVEJY-VGSWGCGISA-N 446.887 2.456 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 22851213 OYCXGEPKWRHOES-QGZVFWFLSA-N 434.514 2.084 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCCN3CCN(C)CC3)ccc2C)cc1 22935072 QZLLCPBAAQDVJK-UHFFFAOYSA-N 444.601 2.472 0 40 IEAB CCOc1cc2c(cc1CNC(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1)O[C@@H](C)C2 24501602 ROPDAHUXQXPLEH-ZDUSSCGKSA-N 444.484 2.220 0 40 IEAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 36589850 MKTKLCLKUIBEIR-TZIWHRDSSA-N 428.554 2.263 0 40 IEAB CCN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(OC)cc1 39985399 KJDLHEBJNFXADI-UHFFFAOYSA-N 431.558 2.050 0 40 IEAB NC(=O)CCn1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1=O 40032381 RPGYTZZGBZGBQU-UHFFFAOYSA-N 425.510 2.115 0 40 IEAB COc1ccc2c(c1)CCN(C(=O)CN1CC[C@]3(CCC1=O)NC(=O)c1ccccc1N3)C2 72325970 TXFWJELEXBGRRW-VWLOTQADSA-N 448.523 2.144 0 40 IEAB O=C(CN1CCC(n2nnn(C3CC3)c2=O)CC1)NC(c1ccccc1)c1ccccc1 72335783 OCXRVJUAQAZCRU-UHFFFAOYSA-N 432.528 2.317 0 40 IEAB CC(COC(=O)c1cccc(-n2cncn2)c1)COC(=O)c1cccc(-n2cncn2)c1 84640308 SVJWAJIRTAZUNF-UHFFFAOYSA-N 432.440 2.498 0 40 IEAB CCOC(=O)Cn1c2c(sc1=O)C(C)(C)c1sc(=O)n(CC(=O)OCC)c1S2 96318905 XKXWWHLMADXDCE-UHFFFAOYSA-N 444.556 2.050 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=C(N)S[C@H]3C2=O)C(=O)Oc2ccccc24)cc1OC 107167184 SGNZOGHXIPCUNW-JFIYKMOQSA-N 438.461 2.182 0 40 IEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 222892489 UCTBNVHZCWXZQU-LJQANCHMSA-N 445.585 2.275 0 40 IEAB COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc(SC)cc2)cc1OC 223436016 AVJAPHFPFNFBNI-UHFFFAOYSA-N 438.571 2.405 0 40 IEAB CCSc1nnc(NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)s1 223695066 YRAGNAZSCXMWMD-SNVBAGLBSA-N 446.576 2.461 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2cc(CCOc3ccc(F)cc3)n(C)n2)C1 257241460 HYCIIWALYSNTDA-FQEVSTJZSA-N 440.541 2.141 0 40 IEAB COCCC(=O)N1CC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2F)C(=O)C3)C1 257254952 KFLKLLZLHOZCRO-KRWDZBQOSA-N 426.492 2.408 0 40 IEAB Cc1cc(N2CCC(O)(CN(C)C(=O)c3cccc(OCCN)c3)CC2)c2cnccc2n1 257267941 MJNJWLWNOHUHIQ-UHFFFAOYSA-N 449.555 2.379 0 40 IEAB C/C(=C\C(=O)N1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1)c1ccc(F)cc1 584908443 LYHPTYDIWFYYDS-PVGBUVFQSA-N 425.508 2.302 0 40 IEAB O[C@]1(CNCc2cccc(OCCN3CCCCC3)c2)CCCN(c2cnccn2)C1 585272384 KKXKEPKCUJSCET-DEOSSOPVSA-N 425.577 2.462 0 40 IEAB Cc1cnc(N(C)[C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)nc1 1889238093 YYCVEPYKFQEWFJ-LJQANCHMSA-N 443.573 2.311 0 40 IEAB CN1CCC(N[C@@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](O)[C@H]2c2cnc(C3CC3)[nH]2)CC1 2332241918 IPOAOPBIPKLTMG-KKSHJYNMSA-N 437.588 2.120 0 40 IEAB COc1ccc(S(=O)(=O)NC(C)(C)CO)cc1-c1nnc2c3ccccc3c(C)nn12 2447371 VDMZQNKNIIELEN-UHFFFAOYSA-N 441.513 2.311 0 40 IEAB CC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)CC1 3413854 QATKXRAQQAQUPU-MRXNPFEDSA-N 427.526 2.131 0 40 IEAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC2=O)c1 3513747 YRAHRFHKWODCNI-OAHLLOKOSA-N 442.493 2.132 0 40 IEAB CCN(CC)CCCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O 4791736 VMWRICDXVMUVPT-UHFFFAOYSA-N 439.354 2.081 0 40 IEAB O=C(O)CCCCCNC(=O)NCCCCCCNC(=O)NCCCCCC(=O)O 5368843 KJKBAJQIMNJHCD-UHFFFAOYSA-N 430.546 2.435 0 40 IEAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2F)CC1 9338495 MKLMKBMRYNKTOP-FQEVSTJZSA-N 444.532 2.238 0 40 IEAB Cc1ccc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1S(=O)(=O)N(C)C 9444283 QWQHEYBZPQAUBT-LIRRHRJNSA-N 428.576 2.382 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 9575363 UFMVRYSQZUQANH-GOSISDBHSA-N 445.479 2.271 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3cccc(OC)c3)CC2)C1=O 9728069 PTFQVSGHNZODCB-XMMPIXPASA-N 436.512 2.201 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(-c3ccco3)n1C)n2CC 9795362 DJOSSGWABPWZHT-UHFFFAOYSA-N 429.506 2.387 0 40 IEAB O=C(c1cc(=O)c2ccccc2o1)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142401 RQUGKEQIDAUVHM-UHFFFAOYSA-N 425.466 2.129 0 40 IEAB COCCCN(C(=O)c1ccc(C)cc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12766346 MXVNEIAQMZGMOG-UHFFFAOYSA-N 436.512 2.467 0 40 IEAB CC1CCN([C@H](CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2cccs2)CC1 12799414 VTYRSOMLXFDKEU-QGZVFWFLSA-N 434.587 2.135 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)CO 12881866 RDIHDMDDFNZAPU-MISNNMSASA-N 433.574 2.063 0 40 IEAB biogenic CCc1noc(C)c1C(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12921627 QQIBHGLVXJSHOC-UHFFFAOYSA-N 425.489 2.329 0 40 IEAB Cc1cccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)c1 13501940 UCBDFZOSHBQTID-KRWDZBQOSA-N 430.530 2.499 0 40 IEAB CCn1c(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nnc1-c1ccoc1C 14124307 PMGWSBLPFURSBT-UHFFFAOYSA-N 431.518 2.146 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 16596286 NMBPPKMKYWWBFY-FQEVSTJZSA-N 442.493 2.272 0 40 IEAB COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3Cl)n2)cc1 16954175 LOHLRQLCNMJZOG-UHFFFAOYSA-N 426.860 2.474 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 19741798 ZSXCEPIAOIUICE-LJQANCHMSA-N 439.491 2.203 0 40 IEAB O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)ccc21 20209228 YDJUGWSKVAQCAE-UHFFFAOYSA-N 425.554 2.492 0 40 IEAB Cc1ccccc1OC[C@@H](O)CN1CCN(C[C@@H](O)COc2ccccc2C)C[C@H]1C 22037755 FAGWHYGBKPHGSL-ZLNRFVROSA-N 428.573 2.489 0 40 IEAB CC(=O)c1cccc(N(CC(=O)NCc2ccccc2-n2ccnc2C)S(C)(=O)=O)c1 30852777 DUNUBEYTXLJACS-UHFFFAOYSA-N 440.525 2.466 0 40 IEAB CN1CCN([C@@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 32876212 CHWRAXKGLYMVHV-IBGZPJMESA-N 448.614 2.142 0 40 IEAB CS(=O)(=O)N(CCCNS(=O)(=O)c1ccc(F)c(Cl)c1)Cc1cccnc1 32925397 LKQNWFAJUNLYMZ-UHFFFAOYSA-N 435.930 2.004 0 40 IEAB CCOC(=O)c1c(CC)n[nH]c1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 48991688 PEAJVSBKMWZBKK-UHFFFAOYSA-N 426.926 2.313 0 40 IEAB COc1ccc(CNC(=O)Cn2cnc3c(c2=O)CN(Cc2ccccc2)CC3)cc1OC 49400752 WTGMQDQUEVWWPU-UHFFFAOYSA-N 448.523 2.135 0 40 IEAB O=C(CNC1=NS(=O)(=O)c2ccccc21)NCc1ccnc(OC2CCCCC2)c1 69950436 NHLSODXQZOEJPL-UHFFFAOYSA-N 428.514 2.148 0 40 IEAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)Cc1csc(C)n1)CC2 72372357 SUDSAVVEAJOHAH-GOSISDBHSA-N 428.562 2.484 0 40 IEAB COC(=O)CCN1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)[C@H](C)C1 95986100 KBBQTXIUVXGYLI-QGZVFWFLSA-N 425.533 2.257 0 40 IEAB COc1cn(CC(=O)NC2CCCC2)c(CN2CCO[C@@H](c3ccccc3)C2)cc1=O 96117375 PMZMTKPKUYYVHN-JOCHJYFZSA-N 425.529 2.489 0 40 IEAB CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CCN(S(=O)(=O)c1ccc(Cl)cc1)C2 96143485 NNPINRHBPBHKHO-HXUWFJFHSA-N 441.981 2.068 0 40 IEAB CCCCCCn1c(N2CCN(CCc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 96306423 TZKDTKLUBPHNHL-UHFFFAOYSA-N 438.576 2.368 0 40 IEAB COC(=O)c1ccccc1-c1ccc(/C=c2\s/c(=C\C(=O)c3ccncc3)[nH]c2=O)o1 103018505 VAXMSPKPXBENGA-FDYZEBBJSA-N 432.457 2.370 0 40 IEAB CCOc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)N2CCC(C(N)=O)CC2)ccc1O 199405684 HXEJGNARAWZGAX-OAQYLSRUSA-N 437.540 2.442 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222934152 IRTHPNUICXOQSC-LJQANCHMSA-N 431.558 2.314 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 224010372 DAGHVUADJFXXSU-UHFFFAOYSA-N 449.548 2.366 0 40 IEAB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)n1 224118557 UPQALTHYRFUIHC-UHFFFAOYSA-N 436.519 2.312 0 40 IEAB CC[C@H](Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224492134 FSPJRTJQDYAFKA-NRFANRHFSA-N 448.541 2.060 0 40 IEAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](Cc2n[nH]c(=O)n2-c2ccccc2F)C1 225550804 COCGPZJVFNUSGE-MRXNPFEDSA-N 447.474 2.375 0 40 IEAB Cc1cc(-c2cnn(C)c2)cc([C@H]2CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)n1 257246466 IUFYSQLMQPZURG-JOCHJYFZSA-N 446.511 2.044 0 40 IEAB CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 260574167 PNWWRUJGYSTVKD-QGZVFWFLSA-N 447.557 2.015 0 40 IEAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1Cc1ccccn1 306136980 QIESOWZWNGKKMD-PMACEKPBSA-N 440.500 2.452 0 40 IEAB CCOC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(CC)C2=O)cc1OC 409233729 HOMREZVXMQNADI-KPKJPENVSA-N 427.251 2.312 0 40 IEAB Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)Nc1ccc(C(=O)N2CCNC(=O)C2)cc1 1565525015 WSBIVIJCIKFBDI-UHFFFAOYSA-N 435.459 2.277 0 40 IEAB COC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2OC)c1 932190 UGAJZXHZBRQVOL-UHFFFAOYSA-N 429.458 2.197 0 40 IEAB CC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1 3217817 NEGZMPSFXDVEDD-UHFFFAOYSA-N 427.954 2.209 0 40 IEAB O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccco1)NC1CCCCC1 4388748 RVRNCDPUVWGURL-UHFFFAOYSA-N 441.484 2.216 0 40 IEAB CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)C1=O 9467487 OUGYKMZMBWWKPD-HXUWFJFHSA-N 430.486 2.161 0 40 IEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc1Cl 9525874 ADFQWJPZYVFSQV-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB COc1ccc(N[C@@H]2Sc3ccccc3NC2=O)cc1S(=O)(=O)N1CCOCC1 9767740 RKVAXDGOKVKJIC-LJQANCHMSA-N 435.527 2.199 0 40 IEAB NC(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 10851480 ZTIFPRGBYNCGEM-UHFFFAOYSA-N 433.394 2.097 0 40 IEAB COc1ccc(Br)cc1-c1nnc2n(C(C)C)c3c(=O)[nH]c(=O)n(C)c3n12 10969902 FUHPWEJLWAFVQI-UHFFFAOYSA-N 433.266 2.090 0 40 IEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)C1=O 11764540 PXMVKRXKHYGSDF-QFIPXVFZSA-N 439.541 2.360 0 40 IEAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1C1CCN(C(=O)c2cscn2)CC1 12133055 YMXPFKMNUDILJA-UHFFFAOYSA-N 429.527 2.418 0 40 IEAB C[C@@H](NC(=O)CCC(=O)N[C@H](C)[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 12383350 DZOGSZUWOBXAJH-AJAKECSLSA-N 440.496 2.456 0 40 IEAB COc1ccccc1-n1c(S)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 13534613 XFNZOWJXBZXTJY-UHFFFAOYSA-N 432.527 2.253 0 40 IEAB COc1ccc(Oc2c(C)oc3cc(OCC(=O)N4CCNC(=O)C4)ccc3c2=O)cc1 13722574 FFCCEPGKWCIENJ-UHFFFAOYSA-N 438.436 2.240 0 40 IEAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 16975080 JXUAIOSPJYAOAO-HNNXBMFYSA-N 428.557 2.334 0 40 IEAB CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCN(C(=O)C5CCC5)C4)nn3c(O)c2C1 19085976 GZFRFELTXHEORS-MRXNPFEDSA-N 425.533 2.482 0 40 IEAB CCCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699959 ROXLPMNXYWIVKT-FQEVSTJZSA-N 426.561 2.407 0 40 IEAB CNc1nc([C@@H]2CCCN2)nc2c1CCN(S(=O)(=O)c1cc(C)c(OC)cc1C)C2 19707108 URFJYWJVSSQVHX-INIZCTEOSA-N 431.562 2.315 0 40 IEAB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(OC)cc3OC)n2N)c1 23065528 QAMXEDHDWNYLOR-UHFFFAOYSA-N 445.501 2.328 0 40 IEAB CC(C)n1ncc2cc(C(=O)OCc3cccc(S(=O)(=O)N4CCOCC4)c3)cnc21 24882715 SRBSJBNXGFBCPE-UHFFFAOYSA-N 444.513 2.390 0 40 IEAB CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 27242563 NIVODRDSGVPNEW-UHFFFAOYSA-N 431.514 2.098 0 40 IEAB CCOC(=O)[C@@H](C)Oc1cccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c1 33914844 QLKSERPWNXSKNR-GPLLRDDGSA-N 442.424 2.490 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2nc(N3CCCC3)ncc2Cl)C1=O 40152730 QMJPBYCZYZAREB-NRFANRHFSA-N 442.907 2.318 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)CC1 62130266 GDVLQIVADJWXFN-UHFFFAOYSA-N 430.574 2.460 0 40 IEAB COC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 67204933 IBNVUGLPPFCVIU-GOSISDBHSA-N 448.495 2.159 0 40 IEAB COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)Cn4cnnn4)C=C3C)nc2n1 72320906 GTVHKQLHKYKINE-ULQDDVLXSA-N 438.536 2.167 0 40 IEAB biogenic,in-vitro O=C(Nc1ccc([C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2CO)cc1)c1cnccn1 72321422 JOQFCEMMANENDS-IFMALSPDSA-N 436.443 2.329 0 40 IEAB biogenic,in-vitro O=C(Cn1nnc2ccccc2c1=O)NCCn1ccc2ccc(Br)cc21 72401953 KBDPJUBBLFCDHY-UHFFFAOYSA-N 426.274 2.325 0 40 IEAB Cc1nnc2ccc(-c3ccc(NC(=O)[C@@H]4CCCN(c5ccc(=O)n(C)n5)C4)cc3)nn12 77100983 IUVCHQRJTOKMOA-QGZVFWFLSA-N 444.499 2.049 0 40 IEAB CCC[C@H](NC(=O)[C@H](C)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccccc1 78480246 GOJJHIYSDNVTBZ-AVRDEDQJSA-N 442.604 2.468 0 40 IEAB COc1cccc(-c2nc(C)c(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)s2)c1 79481169 JKBALFXHHVICBA-INIZCTEOSA-N 435.571 2.072 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3cc(C)on3)CN(C)C(=O)C2)cc1 96113301 WXSIEOSSXOUUNP-QZTJIDSGSA-N 442.516 2.055 0 40 IEAB biogenic,in-vitro CCOC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3CC[C@@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 100117912 KHNQLMYBHBBIAM-CLMWXKPWSA-N 426.517 2.275 0 40 IEAB CC1(C)[C@@H]2CC=C(COC[C@@H](O)CN3CCN(S(=O)(=O)c4ccccc4)CC3)[C@@H]1C2 108922026 VXYHEQRLQJPEOZ-URVUXULASA-N 434.602 2.363 0 40 IEAB COc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1 225220668 DFXNEIDMQDAWKT-LLVKDONJSA-N 428.536 2.277 0 40 IEAB CNC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)CC4(O)CCCCC4)CCO3)n2)cn1 257343006 ZRAFDPRBBJGPTN-OAQYLSRUSA-N 438.528 2.488 0 40 IEAB COc1cc2c3c(c1)C(CN1CCN(C(=O)c4ccco4)CC1)=CC(C)(C)N3C(=O)C2=O 409417918 PHXWJVVCMZZCMI-UHFFFAOYSA-N 435.480 2.451 0 40 IEAB N[C@H](CO)C(=O)N1CCOCCOc2ccc(-c3cccnc3)cc2Cc2cccc(c2)C1 643560928 MZXQIGRCNYLRRB-XMMPIXPASA-N 447.535 2.397 0 40 IEAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H]3CCc4ccccc4NC3=O)CCOCC2)o1 1547139582 ULRYMTVSQQDEGK-QGZVFWFLSA-N 426.469 2.162 0 40 IEAB biogenic COc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 2726467 RETBIWPWIWTCGR-UHFFFAOYSA-N 438.933 2.342 0 40 IEAB O=C(CC[C@@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc2c(c1)OCO2 8991006 WSNDTLLQWUQFMU-AWEZNQCLSA-N 425.397 2.188 0 40 IEAB CC(=O)CN1N=C(C)Cn2c1nc1c2c(=O)n(Cc2c(Cl)cccc2Cl)c(=O)n1C 9421547 OSXVIQXJAFLVDQ-UHFFFAOYSA-N 449.298 2.037 0 40 IEAB Cc1ccccc1Cn1c(=O)c2c(nc3n(CCCn4ccnc4)c(C)c(C)n23)n(C)c1=O 10233634 HUNFZECWUAYZFL-UHFFFAOYSA-N 445.527 2.410 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC1 10324487 XOFVVRIICIFKCD-INIZCTEOSA-N 429.542 2.368 0 40 IEAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC3(CC2)C[C@@]2(CO3)NC(=O)c3ccccc3N2)n1 12085505 VVWNOMRKOVXKJG-FYSMJZIKSA-N 437.544 2.469 0 40 IEAB CCn1c(=O)n(CC(=O)c2cccc(OC)c2)c2c(C(N)=O)nc(-c3cccc(F)c3)nc21 12251460 LFTQHPPXQSWODQ-UHFFFAOYSA-N 449.442 2.409 0 40 IEAB Nn1c(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nnc1-c1ccco1 12974453 SAGIRLUKFAJYAY-CQSZACIVSA-N 427.486 2.479 0 40 IEAB COC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc2c1CC[C@H](C)C2 13022167 IRZUQKCKWMUXBA-NSHDSACASA-N 448.522 2.443 0 40 IEAB NC(=O)c1ccc(C(F)(F)F)n(C[C@H](O)COc2ccc(Br)cc2)c1=O 15544368 HZSAYZFHYGJIKW-JTQLQIEISA-N 435.196 2.168 0 40 IEAB COc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc3c(c2)OCCO3)cc1 15935876 LJKDBZAPOHRTGW-UHFFFAOYSA-N 440.481 2.281 0 40 IEAB CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nnc2ccccn12 15972872 OJZQMVXMYQJANI-MRXNPFEDSA-N 433.559 2.204 0 40 IEAB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NCCCn2ccnc2)cc1Cl 16678165 DXJFEBKKGKPZCT-UHFFFAOYSA-N 428.942 2.152 0 40 IEAB CCN(C(=O)[C@H](C)OC(=O)c1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 16859835 GSDAOJHRFFXLGY-FUHWJXTLSA-N 433.530 2.070 0 40 IEAB O=C(O)CNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1 17143550 KLZUOKGSEPQTIW-NSIKDUERSA-N 447.241 2.150 0 40 IEAB CCCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1nc2c(s1)CCc1c-2cnn1C 19502489 JDGKNUNYCWFHNT-UHFFFAOYSA-N 437.591 2.057 0 40 IEAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)Cc2nnc(N)s2)CCO1 19697842 VRMYAQWWLIEPQC-LBPRGKRZSA-N 431.543 2.179 0 40 IEAB C[C@H](CN1CCOCC1)C(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 19745095 GNORTELEMCHWNH-GFCCVEGCSA-N 440.470 2.233 0 40 IEAB Cn1cnc2cc(C(=O)N[C@@H]3CCc4ccc(S(=O)(=O)N5CCOCC5)cc43)ccc21 19749564 WXCSHVGSIXOJEN-LJQANCHMSA-N 440.525 2.012 0 40 IEAB CC1(C)OC(=O)C[C@@H]1C(=O)N1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1 19757227 CKJZNEBJKXFDQC-GOSISDBHSA-N 428.533 2.272 0 40 IEAB COC(=O)CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C3 19816515 IHJVKSYRLDSDPG-GFCCVEGCSA-N 428.470 2.319 0 40 IEAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cc1 22228849 JATZQRRFNKXKEV-UHFFFAOYSA-N 435.933 2.422 0 40 IEAB CN(C)C1(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)CCCCCC1 24583611 FPPQFXFYTWDOIH-UHFFFAOYSA-N 432.384 2.481 0 40 IEAB COc1ccc(CNS(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)cc1 26746731 AVXXJVZHRRYLKX-UHFFFAOYSA-N 427.276 2.267 0 40 IEAB COc1cc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)c(C)cc1C 35598102 GHDHMHRJJXBCAR-UHFFFAOYSA-N 442.545 2.107 0 40 IEAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 36387050 UQUOXYXWSFVZRD-MRXNPFEDSA-N 438.553 2.479 0 40 IEAB C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ccc(O)cc2)CC1 58137358 WQKVWUAVSGJWFS-ZDUSSCGKSA-N 436.434 2.075 0 40 IEAB CC(C)Cn1c(N)c([C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O 58145675 NPGQQQKYNCHDHM-NRFANRHFSA-N 434.544 2.081 0 40 IEAB CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1 60377983 IAYOLSPVZLDOBH-UHFFFAOYSA-N 433.534 2.183 0 40 IEAB CCc1nnc2c(=O)n(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n12 64871604 YZHXTXAMNLOGCK-UHFFFAOYSA-N 434.475 2.095 0 40 IEAB CC(C)c1ccc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 70902543 ZLKHKAAUSSDCPI-UHFFFAOYSA-N 444.557 2.361 0 40 IEAB COC(=O)[C@](C)(c1ccccn1)N(C)C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 95462364 IUJRZDGZNVBRJH-MWTRTKDXSA-N 425.485 2.298 0 40 IEAB CCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2c(OC)ccc(OC)c21 100908871 HHPHZZPZWRWVBO-DQRAZIAOSA-N 425.466 2.463 0 40 IEAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(Br)cc1F 102396626 HRYWUDJEOGGZFB-RYUDHWBXSA-N 441.253 2.245 0 40 IEAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 223366698 LRVPMCQDAHMDDH-UHFFFAOYSA-N 432.454 2.326 0 40 IEAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-n2cnnc2)c1C 223715568 MZJXLXNRQXRMCW-WOJBJXKFSA-N 439.545 2.329 0 40 IEAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc(=O)n(C)c(=O)n3C)o2)c1 257317863 VLNDBCLSXHWHSW-GOSISDBHSA-N 438.484 2.039 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCCCO)Cc1ccccc1 408625638 WNILBHKPGNYORC-UHFFFAOYSA-N 426.922 2.038 0 40 IEAB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1 408654037 JEBHPIQIMPDCGM-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 500728815 GLWARABUHLCIOA-UHFFFAOYSA-N 439.438 2.382 0 40 IEAB Cc1cc(C)n2nc(C(=O)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nc2n1 515026912 PQEPDHLKALDTSD-UHFFFAOYSA-N 432.406 2.358 0 40 IEAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC3CCC(F)(F)CC3)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 604381687 LCTNLIBORYHABU-VXXGZENSSA-N 442.478 2.285 0 40 IEAB biogenic,in-vitro CCn1nc(C)c(CCC(=O)N2CCC[C@]2(COC(C)=O)CC(=O)N2CCCC2)c1C 643586868 GWBJWHWBFDYFHO-HSZRJFAPSA-N 432.565 2.389 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 1426156 KDJZEAYXXGMXNW-GOSISDBHSA-N 445.497 2.208 0 40 IEAB COC(=O)C1=C(C)Nc2sc(C(N)=O)c(N)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 9302616 JOTBQNZRZAUSBB-ZDUSSCGKSA-N 433.486 2.459 0 40 IEAB biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1 9476587 LBCAFIIUSYHPCP-HNNXBMFYSA-N 445.497 2.413 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 9640129 RCQPLZQESWOESH-FQEVSTJZSA-N 445.541 2.233 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1S(=O)(=O)N1CCCC1 9721756 CSWIPLWMAHLNIK-UHFFFAOYSA-N 445.541 2.148 0 40 IEAB CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2ccc(OC)cc2)cc1 9806774 CSAKKCCTOAVNLD-SFHVURJKSA-N 445.541 2.166 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc(OC)c(OC)c2)cc1 9806813 GBCZNLRZIKSVMQ-INIZCTEOSA-N 434.514 2.296 0 40 IEAB Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c1nc1n2C[C@@H](O)CN1c1ccccc1 10233915 XKFZCJHZPFOOFY-KRWDZBQOSA-N 437.887 2.111 0 40 IEAB CC(=O)N1CCC[C@@](C[C@@H]2CC(c3cccc(F)c3)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 12162935 RKGBEDJZRZNOIE-GRWTVWFQSA-N 432.540 2.404 0 40 IEAB COc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)c2c(n(C)c(=O)n(C)c2=O)N1 12427881 LTOOKNDKOQKSKB-UHFFFAOYSA-N 436.312 2.285 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 12917941 ABSYEWAEPRQGNI-UHFFFAOYSA-N 440.525 2.239 0 40 IEAB COc1cc(NC(=O)CC[C@@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)cc(OC)c1 13654509 UCWMLKOFMVBQHB-KRWDZBQOSA-N 441.440 2.476 0 40 IEAB C[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)Nc1ccc(Cl)cn1 14201112 KKEVGKWHVVIYQM-LBPRGKRZSA-N 425.894 2.011 0 40 IEAB COc1ccccc1C1(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CCOCC1 16975607 DSQQILNXSNBAEE-UHFFFAOYSA-N 426.469 2.270 0 40 IEAB CCN(CC)CC(=O)N1CCO[C@H](c2nc(N(C)C)ncc2-c2ccc(OC)cc2)C1 19692637 HHOLGXCMAGCSMF-FQEVSTJZSA-N 427.549 2.460 0 40 IEAB CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)S(=O)(=O)c3ccccc3)n2)CC1=O 19700984 JBAJATLIAYMTKY-INIZCTEOSA-N 431.562 2.088 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)N[C@H](C)c3nnc4ccccn34)CC2)c1 26277456 FSEDUQAVBPXXKM-QGZVFWFLSA-N 442.545 2.123 0 40 IEAB CN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 32780649 TZRCPCXKBWEYGC-YJBOKZPZSA-N 445.566 2.216 0 40 IEAB CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1ccc(F)c(F)c1 36395773 XKYOWHHTLSEXOF-UHFFFAOYSA-N 426.485 2.497 0 40 IEAB CC(C)CCC[C@H](C)NC(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1 36692616 YCAKFVJTQDOKNW-HOTGVXAUSA-N 425.599 2.298 0 40 IEAB CCOc1cc(C(=O)NCCn2nc3ccccn3c2=O)ccc1OCc1cccnc1 40158507 PHOPTSXLSXKASG-UHFFFAOYSA-N 433.468 2.299 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(O)c(C(=O)O)c3)c(Cl)c2)C1=O 41182035 JVXVHGSDHFUFAR-VIFPVBQESA-N 438.845 2.309 0 40 IEAB CCCCn1c(N2CCN(Cc3ccccc3Cl)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952393 VDCXAEHNBMBGEU-UHFFFAOYSA-N 430.940 2.199 0 40 IEAB Cn1cc(CN2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3S(C)(=O)=O)cn1 96036917 HBMLLOAOJDSEBV-UHFFFAOYSA-N 440.573 2.050 0 40 IEAB COc1ccc(S(=O)(=O)C2CN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)cc1 96121907 PSQQIUFNWRJXSP-UHFFFAOYSA-N 431.919 2.204 0 40 IEAB O=C(NCc1cccnc1)C1=NO[C@@]2(CCCN(C(=O)NCc3cccc(F)c3)C2)C1 96225076 ZYEZVLQSLLGNCE-QFIPXVFZSA-N 425.464 2.358 0 40 IEAB CCS(=O)(=O)[C@@](Br)(I)C(=O)c1cccc(N)c1 96518556 UWHSSPJTZVXTPR-JTQLQIEISA-N 432.077 2.370 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223037718 ZXAVVRFLSFKWKU-FQEVSTJZSA-N 449.548 2.454 0 40 IEAB CN(c1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1)S(C)(=O)=O 224302223 KTMAPVIVFQPPGZ-UHFFFAOYSA-N 449.554 2.182 0 40 IEAB CCCCOc1ccc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)cc1 224329262 HVKSLTHFTAANMT-UHFFFAOYSA-N 425.533 2.455 0 40 IEAB COc1ccc(NC(=O)N2CCC(O)(c3csc(CN4CCN(C)CC4)n3)CC2)cc1 225472443 NQPCLPODNVPOQS-UHFFFAOYSA-N 445.589 2.415 0 40 IEAB biogenic,in-vitro O=C(NCc1ccnc(N2CCOCC2)c1)c1cnc(OC2CCOCC2)c(Cl)c1 240067909 SDOXXLYATMJVSH-UHFFFAOYSA-N 432.908 2.454 0 40 IEAB CS(=O)(=O)N1CCCC[C@H]1c1nnc(C2CCN(C(=O)C[C@H]3CCCCO3)CC2)o1 247538675 RKNBSMPRJCOROK-SJORKVTESA-N 440.566 2.221 0 40 IEAB COc1ccccc1[C@H]1CN(C(=O)C(C)(C)NS(=O)(=O)c2cccs2)CCN1C 257262640 LMEMEUSLLCQMQJ-MRXNPFEDSA-N 437.587 2.329 0 40 IEAB CCc1noc(CCC(=O)N(C)[C@@H]2CC[C@@](CNC(C)=O)(c3ccccc3)CC[C@H]2O)n1 257333341 YBENGKIBOXMVRD-YOSAUDMPSA-N 442.560 2.401 0 40 IEAB O=C1COc2ccccc2CC=CC[C@H]2CN(C(=O)CCCN=c3nccc[nH]3)CC[C@H]2N1 2037818717 SWFAWQJRRWAXKV-LEWJYISDSA-N 449.555 2.005 0 40 IEAB COc1cc(C(C)=O)ccc1COc1ccc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc1OC 2646502 NQOXPGXXTGKKGE-CYBMUJFWSA-N 444.440 2.226 0 40 IEAB NS(=O)(=O)c1cc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)ccc1Cl 3388684 XKDPNPLMZUECPB-UHFFFAOYSA-N 431.297 2.157 0 40 IEAB Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)c1 8708926 CDUPXONLPRFFBF-GOSISDBHSA-N 436.560 2.479 0 40 IEAB O=C(CN1CCN(c2ccc(F)cc2)CC1)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 8710991 FRHOGEJUQYCKNE-NRFANRHFSA-N 437.581 2.296 0 40 IEAB COc1cccc([C@]2(C)NC(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)C2=O)c1 8850492 IRQHJRJDENRENW-PSLXWICFSA-N 436.468 2.226 0 40 IEAB CCCCc1c(O)nc(SCC(=O)N2CCOCC2)n(-c2ccccc2OC)c1=O 9183501 LLVQOKVZHVGLHJ-UHFFFAOYSA-N 433.530 2.240 0 40 IEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 9223047 AMBNVVHTLFHQQF-UHFFFAOYSA-N 426.502 2.479 0 40 IEAB COC(=O)c1cc(NC(=O)C[C@H]2OCCN(Cc3ccccc3)C2=O)cc(C(=O)OC)c1 9281895 GEZUUQMKMZPPML-LJQANCHMSA-N 440.452 2.016 0 40 IEAB C[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NCCc1ccc(F)cc1 9448171 CVLRJICHHHDLRK-VNMLXUOPSA-N 427.501 2.259 0 40 IEAB CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)n1 9660358 GLKMEMRJJPJBHV-ZDUSSCGKSA-N 440.891 2.471 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)Nc2ccccc2)cc1 9745666 WWUUCKAHMKZQRC-GOSISDBHSA-N 445.541 2.383 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)Cn1cnc3c(cnn3-c3ccccc3)c1=O)CC2 9951142 YMLUDDXISAEACX-UHFFFAOYSA-N 445.479 2.184 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c1 10213421 BCHSGJSXHREQLV-UHFFFAOYSA-N 426.516 2.435 0 40 IEAB CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)cc1 12520694 BWWAGKBLJICXOB-LLVKDONJSA-N 444.485 2.379 0 40 IEAB CC(C)(CNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12)N1CCOCC1 12557457 MHGXBYIZYREQKH-UHFFFAOYSA-N 434.562 2.008 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 12772090 ULVJBSBMFFBZHX-UHFFFAOYSA-N 446.507 2.461 0 40 IEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@@H](O)COc1ccc(Br)cc1 12855452 ACIVMAJDNNUYJF-JLTOFOAXSA-N 447.285 2.419 0 40 IEAB Cc1ccc2ncc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)c(=O)n2c1 12926139 DTLOUGINAKWERL-UHFFFAOYSA-N 426.498 2.430 0 40 IEAB Cc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 13501938 ALWGWJSTZRJGOH-INIZCTEOSA-N 430.530 2.499 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 13572044 OXQSEUVYGVMQOZ-QTNMRXCUSA-N 442.946 2.412 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 13647246 QTICTLNODHFHQW-UHFFFAOYSA-N 434.470 2.039 0 40 IEAB CN1C(=O)N(Cc2ccccc2)C(=O)[C@@H]2[C@@H]1N=C(NC[C@@H]1CCCO1)N2Cc1ccccc1 13940400 YTNJQVXMIQNRKJ-FDFHNCONSA-N 447.539 2.416 0 40 IEAB COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccc2)c1 14182750 KVRRASIPSRPEBY-UHFFFAOYSA-N 427.320 2.304 0 40 IEAB COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)N2CCOCC2)cc1 19222059 UOWQBBOMJYCXBO-QFIPXVFZSA-N 446.511 2.302 0 40 IEAB O=C(COC[C@@H]1CCCCO1)N1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 19292060 WOAFYKIMUPUYSV-AWEZNQCLSA-N 427.427 2.435 0 40 IEAB COc1ccc(CC(=O)N2CCC[C@@H](c3nc(O)c4c(n3)CCN(C)C4)C2)cc1OC 19590249 ZFJJUQXVBOKMNT-MRXNPFEDSA-N 426.517 2.136 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1ccsc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@@H]2CC[C@H]1O2 19640317 VAWQIHGWOSEKLB-YQFWSFKMSA-N 444.465 2.224 0 40 IEAB Cc1nn(C)c2nc(C3CCN(C(=O)C[C@@H]4C(=O)NCCN4C4CCCC4)CC3)ccc12 19744624 XSIOMPKXQLFPAJ-OAQYLSRUSA-N 438.576 2.116 0 40 IEAB CNc1cc(C(=O)N2CCO[C@@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)ccn1 19762721 DIQKIGOKTCRTCJ-OAQYLSRUSA-N 449.511 2.261 0 40 IEAB COc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N2CCN(C)CC2)cc1 22794108 JNNUVMMHRVBGOG-HXUWFJFHSA-N 443.544 2.440 0 40 IEAB CCOC(=O)N1CCC(NC(=O)[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C(C)C)CC1 24469879 YGXVEZAASMAESI-QZEGLACASA-N 437.562 2.338 0 40 IEAB CN(CC(=O)NCc1cccc(N2CCCC2=O)c1)S(=O)(=O)c1ccc(Cl)cc1 32312921 MJXFFQYJUJJONU-UHFFFAOYSA-N 435.933 2.404 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)NCCc3ccc(F)cc3)n2N)c(OC)c1 32719428 HXJBEJHMPZTSGR-UHFFFAOYSA-N 431.493 2.266 0 40 IEAB Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 32843605 CFQZOHJIKVIGGJ-GOSISDBHSA-N 432.542 2.241 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nnc2c3ccccc3c(C)nn12 34849553 OHEFTZDADRLJMA-UHFFFAOYSA-N 436.541 2.497 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1 35485432 PDSJGGLQYLHPKJ-NBJFJKGASA-N 431.558 2.083 0 40 IEAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1N1CCCC1=O 38697035 JWJDSHJICPRIPK-UHFFFAOYSA-N 443.525 2.395 0 40 IEAB CCS(=O)(=O)N(C)CCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 48299746 NNECEWRFFDLTEK-GASCZTMLSA-N 430.546 2.232 0 40 IEAB O=C(CN[C@H]1C=CS(=O)(=O)C1)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 72393457 LRAIYCSKDJJWES-NRFANRHFSA-N 449.592 2.118 0 40 IEAB COC(=O)CCNC(=O)c1cn(-c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccccc12 79485556 WLYFSTMEONBIDJ-UHFFFAOYSA-N 440.452 2.309 0 40 IEAB NC(=O)c1ccc(-c2cnc3n2CCC32CCN(S(=O)(=O)c3cccnc3)CC2)cc1 96080107 UBTJVKWLZZNXMQ-UHFFFAOYSA-N 437.525 2.170 0 40 IEAB O=C(C1CC1)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 96145883 YDKYWGDABGVQTL-OALUTQOASA-N 427.526 2.435 0 40 IEAB C/C(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 101087795 IBJQCOOBQPDYLJ-NBVRZTHBSA-N 431.452 2.453 0 40 IEAB Cc1ccc(S(=O)(=O)c2c[nH]c3c(S(=O)(=O)c4ccccc4)cnn3c2=N)cc1 101411451 IZGMXEIDIGZMGY-UHFFFAOYSA-N 428.495 2.116 0 40 IEAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1[C@@H]1CS(=O)(=O)C[C@@H]1O 102730246 FLUXADHATCIBOK-OCCSQVGLSA-N 425.919 2.183 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 222757443 VXQHRJOTGAZUST-UHFFFAOYSA-N 445.541 2.119 0 40 IEAB Cn1cnnc1S(=O)(=O)C1CN(C(=O)CCc2cccc(Oc3ccc(F)cc3)c2)C1 244986194 JJUFJXWERPZUCA-UHFFFAOYSA-N 444.488 2.364 0 40 IEAB CN1CCN(c2ccc(C(=O)NS(=O)(=O)c3cccc(Br)c3)cc2)CC1 257310966 UHJIBLNBLWJKCX-UHFFFAOYSA-N 438.347 2.320 0 40 IEAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CN(CC(=O)N1CCCc3ccccc31)CC2 257343902 ZUVIMYZCAYXHOT-LJQANCHMSA-N 448.571 2.192 0 40 IEAB CS(=O)(=O)N(CCCC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(F)c(F)c1 260907937 UMQMLJMSFWNJBY-HNNXBMFYSA-N 440.468 2.467 0 40 IEAB O=C(Nc1n[nH]c(C2CCC2)n1)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 545451457 JPAKHZSGKIOUJP-UHFFFAOYSA-N 425.461 2.390 0 40 IEAB CN(C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1)S(=O)(=O)c1cc(F)cc(F)c1 1565523226 JPDUIUMUVXXBLX-UHFFFAOYSA-N 436.488 2.209 0 40 IEAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccncc4)C(=O)[C@H]13)O2 8792465 JVWWLZIATOOHAQ-ILSIFQBBSA-N 428.492 2.204 0 40 IEAB biogenic C[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 8945449 PGCXXYSHDWDDJH-STQMWFEESA-N 432.860 2.435 0 40 IEAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c(O)nc(O)n(-c2ccccc2OC)c1=O 9014039 JKQFUBAPTJKCEZ-FQEVSTJZSA-N 434.452 2.377 0 40 IEAB biogenic COc1ccc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC 9019296 PHOOUDNDHWBZKA-UHFFFAOYSA-N 444.484 2.328 0 40 IEAB biogenic NS(=O)(=O)c1ccc(CCNc2nccn(-c3ccc(Br)cc3)c2=O)cc1 9320258 ZJWRAWXLNPZUCH-UHFFFAOYSA-N 449.330 2.297 0 40 IEAB Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1 9464840 LMQCQOLHHLSDKQ-BZZOAKBMSA-N 448.504 2.287 0 40 IEAB C[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 10732770 QTPMAXBMCNYTPC-CQSZACIVSA-N 426.454 2.461 0 40 IEAB C[C@H](Oc1ccccc1)C(=O)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071589 NXKFZCXBQJSYFM-INIZCTEOSA-N 435.459 2.364 0 40 IEAB O=C(COc1ccc(F)cc1)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071601 MLTVLHPDYSWAOS-UHFFFAOYSA-N 439.422 2.115 0 40 IEAB COCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2cccc(Cl)c2)n(C)c1=O 12231789 NRKJDABLDPAGTR-UHFFFAOYSA-N 442.907 2.047 0 40 IEAB O=S1(=O)CC[C@H](Cc2nnc(SCc3nc4ccc(Cl)cc4n3CCO)o2)C1 12516443 IZIQLBXANNJSFL-LLVKDONJSA-N 442.950 2.335 0 40 IEAB COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)CC(=O)Nc1ccccc1Cl 12995357 NYDRBYPZDQCWHM-LJQANCHMSA-N 429.904 2.337 0 40 IEAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 13141140 MSTLUTNBHRINSL-FQEVSTJZSA-N 445.541 2.101 0 40 IEAB Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCN(C(=O)CN4CCOCC4)CC3)c12 13608756 LSZBGDGUGJXWEX-UHFFFAOYSA-N 448.571 2.077 0 40 IEAB CS(=O)(=O)c1ccc2nc(NC(=O)CCn3cnc4ccccc4c3=O)sc2c1 16468281 UYUMCNNBUFPEAE-UHFFFAOYSA-N 428.495 2.439 0 40 IEAB COc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 19930681 YAMFOBFWRQWTOS-UHFFFAOYSA-N 443.569 2.417 0 40 IEAB CN(C)CCCNC(=O)c1c(O)[nH]c2c(Br)cc(Br)cc2c1=O 20533166 WWWXICBCBMABJH-UHFFFAOYSA-N 447.127 2.440 0 40 IEAB COc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C 22227851 AGIXVVHAQKSIHD-UHFFFAOYSA-N 426.560 2.211 0 40 IEAB CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)CN1C(=O)c2ccccc2C1=O 22704222 BZGLQLNWHWXHPE-UHFFFAOYSA-N 432.379 2.086 0 40 IEAB C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)Cc2ccccc2C(=O)O1 23122691 REZMEIIDMTTWSO-OAQYLSRUSA-N 448.928 2.345 0 40 IEAB COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1NC(C)=O 25573163 LBFCKLRQAIPGFK-UHFFFAOYSA-N 427.429 2.239 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C1=NN(c2ccccc2)C(=O)CC1 32810620 IKIDRDUASMWOKK-UHFFFAOYSA-N 440.525 2.399 0 40 IEAB Cn1c(=O)c2cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cnc2n(C)c1=O 32902067 XVXBVSHPUXPRMR-UHFFFAOYSA-N 435.509 2.262 0 40 IEAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 40069318 YLOZQPRVTCSLLS-INIZCTEOSA-N 429.970 2.372 0 40 IEAB O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1ccc(F)c(F)c1 40478108 LXMNJHLJYLOQMY-UHFFFAOYSA-N 432.337 2.231 0 40 IEAB CC(C)Cn1c(N2CCN(Cc3ccc(Cl)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952480 MSCKMAGSKKWSJP-UHFFFAOYSA-N 430.940 2.055 0 40 IEAB CCN(C(=O)[C@H](C)N1CCN(c2cc(Cl)ccc2C)CC1)[C@H]1CCS(=O)(=O)C1 57478003 UPEVHLJMHDZXID-WMZOPIPTSA-N 427.998 2.195 0 40 IEAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccc(OCC)cc1 67287654 JPKXVOGLBISDTP-HXUWFJFHSA-N 445.516 2.095 0 40 IEAB NC1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCc2ccccc2C(=O)N3)CC1 72334414 PLBHUFGRLIHQES-JYFHCDHNSA-N 432.568 2.183 0 40 IEAB Cc1nn(C)c(Cl)c1S(=O)(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 72340753 ZGXTZQPAEIUJLV-UHFFFAOYSA-N 431.909 2.008 0 40 IEAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)COCCN2CCCC2=O)C1 72352224 KEESMWQITRBLMB-OAHLLOKOSA-N 429.542 2.216 0 40 IEAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2ccc(C)cc2)CC3)C1=O 96144426 PVUSXAYACQRCKA-RUZDIDTESA-N 440.588 2.382 0 40 IEAB CC(C)[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 101786788 YMLJWSIWMJJMGD-QIWMUBKGSA-N 436.555 2.165 0 40 IEAB CCCCN1C(=O)[C@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 103088084 AEIZHXWFYSWLLE-AZXNSQLWSA-N 437.471 2.295 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N(C)Cc2nc(-c3cccs3)no2)Oc2ccccc21 218796372 OGFKRJFJARMVHR-HNNXBMFYSA-N 448.526 2.374 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2sncc2c1 222710898 DKOHHNBYOWIPCK-UHFFFAOYSA-N 433.511 2.335 0 40 IEAB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCC(C)CC2)s1 225509686 YKHVOUZHPQMELQ-UHFFFAOYSA-N 437.591 2.499 0 40 IEAB CNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3c(OC)cccc3OC)C2)nc1C 257215907 CSDNHGNLAJKIGY-INIZCTEOSA-N 426.517 2.419 0 40 IEAB CCN1CCN(CC(=O)Nc2ccn(C)n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257262349 LLBREHHSHIQKBR-NRFANRHFSA-N 446.555 2.444 0 40 IEAB CCOC(=O)COc1cc(Br)c(/C=C2/NC(=O)N(C)C2=O)cc1OCC 409195688 RPRCBLJUWRLSLP-WUXMJOGZSA-N 427.251 2.312 0 40 IEAB CC1=NNC(=O)[C@H]1CCC(=O)N1CCCN(C(=O)CC(C)C)c2ccccc2CNCC1 643557112 DUXHRJSTAKNTSC-FQEVSTJZSA-N 441.576 2.290 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc3c(c1)OCO3)n2C 6153573 YVEPIHPMDPHCAZ-UHFFFAOYSA-N 430.486 2.124 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NCCCN2CCCC2=O)c1 7738014 LZVAZWMRMBWLRZ-UHFFFAOYSA-N 426.608 2.324 0 40 IEAB COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCC(C)CC3)c2C)cc1C 8611325 ITGZFGSEUMVLRY-UHFFFAOYSA-N 441.575 2.475 0 40 IEAB COc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)[C@H]2C(=O)c2cccnc2)cc1OC 8741789 XFIDXAICANIFSG-VKJFTORMSA-N 425.363 2.203 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)O 8791118 HORMGZBYZMQGQC-XAFIJRRZSA-N 447.557 2.155 0 40 IEAB biogenic Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2SCc2ccccc2)n(C)c1=O 9416099 RAZPGYMLCLQCNL-UHFFFAOYSA-N 435.509 2.365 0 40 IEAB C[C@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1ccccc1 9787655 ASSJGOHZYACNSZ-HOTGVXAUSA-N 443.525 2.314 0 40 IEAB COC(=O)c1c(NC(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)sc2c1CCC2 9837656 FWPBBIKMLADSCV-UHFFFAOYSA-N 437.495 2.222 0 40 IEAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9960443 QBGXAAXAFFQVNG-LLVKDONJSA-N 435.506 2.388 0 40 IEAB COc1ccc(NC(=O)CSCC(N)=O)cc1S(=O)(=O)Nc1ccccc1Cl 12976395 LNSUWKAHWXZPSN-UHFFFAOYSA-N 443.934 2.306 0 40 IEAB CC(=O)N1CCc2c(O)nc([C@@H]3CCCN3C(=O)[C@@H](C)Oc3ccccc3F)nc2C1 19078766 VNADIXDHVBTMGU-ACJLOTCBSA-N 428.464 2.357 0 40 IEAB Cn1cc(CN2CCN(S(=O)(=O)c3c[nH]nc3-c3ccncc3)CC2)c2ccccc21 19290452 XSVYLZOKNQLUOE-UHFFFAOYSA-N 436.541 2.470 0 40 IEAB CCNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)c2cnccn2)CCO1 19529319 JELOWAMLRFWEKZ-DEOSSOPVSA-N 431.496 2.129 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 19709631 ILERKZQXRMRGGV-MRXNPFEDSA-N 449.552 2.228 0 40 IEAB COc1ccccc1N1CCN(C(=O)CC2(CC(=O)N3CCN(C)CC3)CCCC2)CC1 19849922 QXSRECBJQFSCIG-UHFFFAOYSA-N 442.604 2.458 0 40 IEAB COC(=O)[C@H](NS(=O)(=O)c1ccc(-n2c(=O)c(C(C)C)cn2C)cc1)c1ccccc1 20512654 BHZVYZGIMSGNFR-HXUWFJFHSA-N 443.525 2.492 0 40 IEAB COc1ccc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)cc1 21873561 FOCAGAKZIYSZBG-UHFFFAOYSA-N 430.530 2.081 0 40 IEAB C[C@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22330798 NJNJZBDFRLBOHS-ZDUSSCGKSA-N 444.962 2.387 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O 22918535 PRJUTIZBHRVRIE-XMMPIXPASA-N 436.512 2.348 0 40 IEAB O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12 22919361 SMJWCRNMTSHRLG-UHFFFAOYSA-N 446.551 2.494 0 40 IEAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc1 23134674 JEXJMCSHLMPVAG-UHFFFAOYSA-N 430.468 2.035 0 40 IEAB CN1CCc2c(c(N3CCOCC3)nc3sc(C(=O)Nc4nccs4)c(N)c23)C1 31806909 IJHWSEWFNCNHMY-UHFFFAOYSA-N 430.559 2.412 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 33164688 FIQXKSACKVTMCZ-KRWDZBQOSA-N 445.541 2.102 0 40 IEAB Cc1cc(-c2cc(=O)n(CC(=O)N3CCC4(CC3)OCCO4)nc2-c2cccs2)on1 72337048 RXZCFONYNBAXDR-UHFFFAOYSA-N 442.497 2.301 0 40 IEAB COCCCn1c(=O)c2ccccc2n2c(SCCCNC(=O)C(F)(F)F)nnc12 83902660 JPWUWTKHQHBGJA-UHFFFAOYSA-N 443.451 2.241 0 40 IEAB COc1ccc(S(=O)(=O)NCCNc2cc(Nc3ccccn3)nc(C)n2)cc1OC 90607963 GYXVYZNNAOUSEI-UHFFFAOYSA-N 444.517 2.331 0 40 IEAB Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)NCC(=O)N4CCc5ccccc5C4)c3)cc21 95945793 LXIJCRISYOXODO-UHFFFAOYSA-N 441.491 2.243 0 40 IEAB CC(C)CCC(=O)N1C[C@@H]2[C@H](C1)c1nc(NCc3ccccn3)ncc1CS2(=O)=O 96252118 INISBIJVIDIIAV-ZWKOTPCHSA-N 429.546 2.143 0 40 IEAB CN1CCN(NC(=O)c2ccc(S(=O)(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)cc2)CC1 101712439 FUGXMGBXTRTRHG-GCJKJVERSA-N 434.606 2.168 0 40 IEAB CN(c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1)S(C)(=O)=O 219975140 JQQXOLJRWSWZID-UHFFFAOYSA-N 437.543 2.119 0 40 IEAB O=C(NCC(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1)OCc1ccccc1 220865447 CEFBRFOAIDNWJD-KRWDZBQOSA-N 436.472 2.234 0 40 IEAB COc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C)C(=O)NCCN2CCOCC2)cc1 222991290 YQWJMBOPVDPUJG-FQEVSTJZSA-N 439.556 2.103 0 40 IEAB CCOc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C 224494790 GIJTWLHEOBVPTM-UHFFFAOYSA-N 448.541 2.223 0 40 IEAB NC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 225870949 SZASGJMNAKGGOX-UHFFFAOYSA-N 437.890 2.344 0 40 IEAB CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(C(F)(F)F)cc1 260892983 FRZOEYGZZGJFOA-HNNXBMFYSA-N 444.431 2.428 0 40 IEAB COc1ccc(CC(=O)N2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)cc1OC 390829977 HWWDYOCVGNQABS-UHFFFAOYSA-N 445.541 2.439 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCCCOC(C)C)C2)c1 408558059 IGQMKDJIAOTFQH-INIZCTEOSA-N 428.551 2.036 0 40 IEAB CN(C)c1ncc(CNC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)n1C 511218595 WHVRJXNBBNRMQD-UHFFFAOYSA-N 439.541 2.168 0 40 IEAB COCC(=O)N1CCCN(C(C)C)CCN(C(=O)CCn2ccnc2)Cc2ccccc21 643554166 BPIFEFOSMDZFOS-UHFFFAOYSA-N 441.576 2.396 0 40 IEAB Cc1nnc2ccc(N3C[C@@H]4CN(C(=O)Cc5ccccc5Br)C[C@H]4C3)nn12 1888901311 JLKUCGVQVWSDEF-HZPDHXFCSA-N 441.333 2.333 0 40 IEAB O=S(=O)(c1cc(F)cc(F)c1)N1CC[C@@H](COc2ccc3nnc(C4CC4)n3n2)C1 1888926769 XZTOZSBHNBZIBO-GFCCVEGCSA-N 435.456 2.370 0 40 IEAB COc1ccc2c(COC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)cc(=O)oc2c1 3438306 FEVLOTAWJAQVBJ-LBPRGKRZSA-N 435.429 2.351 0 40 IEAB Cc1ccc(NC(=O)COC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)cc1Cl 3448597 YSASBIRVYVEQOQ-LBPRGKRZSA-N 435.889 2.257 0 40 IEAB CCCCNC(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 9128671 GOAJXWBDBOJABL-FQEVSTJZSA-N 435.590 2.303 0 40 IEAB C[C@@]1(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)CCS(=O)(=O)C1 9415808 DZYKHTRKBREHDK-HXUWFJFHSA-N 446.554 2.372 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl 9569975 ZOAZXOVGTVRWJT-UHFFFAOYSA-N 425.913 2.361 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1 9642807 LIGHCGLXMLVCRD-UHFFFAOYSA-N 441.538 2.166 0 40 IEAB O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9950788 OGCPVRJBRIBQSV-UHFFFAOYSA-N 449.554 2.164 0 40 IEAB CC(C)C[C@@H](C(=O)OCC(=O)Nc1sccc1C(N)=O)N1C(=O)c2ccccc2C1=O 9958334 VCYBEBCMXJYLJP-HNNXBMFYSA-N 443.481 2.040 0 40 IEAB COc1ccc(C(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)c(O)c1 12979294 MOHNVVHCDACNGF-UHFFFAOYSA-N 437.246 2.075 0 40 IEAB C[C@@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 15276040 MECHLOOAVALOHP-DEBBHNNCSA-N 440.297 2.390 0 40 IEAB CCOc1ncc(C2(O)CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)c(OCC)n1 19531693 RWEZHUYLRIRKRS-UHFFFAOYSA-N 429.473 2.169 0 40 IEAB COC(=O)C1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)CC1 22396691 KUKZDJWCFQNVCA-UHFFFAOYSA-N 440.518 2.494 0 40 IEAB O=C(CN1CCN(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)CC1)NC1CC1 22783351 QWXFDBDEJSDWCS-JOCHJYFZSA-N 434.540 2.050 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(Cc3ccsc3)CC2)cc1 23989889 HZGURDJATUTPLB-HXUWFJFHSA-N 449.598 2.254 0 40 IEAB O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 26983952 GMNARIPOJZFRBK-AWEZNQCLSA-N 426.844 2.371 0 40 IEAB NC(=O)[C@@H](c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl 34447026 ASCDSDXZLHMPQY-AWEZNQCLSA-N 425.659 2.498 0 40 IEAB O=C(CCNC(=O)N[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(C(F)(F)F)c1 36360941 HRUZFPATMYDZMD-JTQLQIEISA-N 427.832 2.174 0 40 IEAB C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCN(C(=O)N(C)Cc2ccccc2)CC1 36398287 VQJBWBIWSLBMJC-LJQANCHMSA-N 437.544 2.271 0 40 IEAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4cccc(SC)c4)cnc32)c1 40478146 IPILQDFPLWGNSN-UHFFFAOYSA-N 436.497 2.406 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1 62165885 FNCPLKGZGMVRRS-HNNXBMFYSA-N 440.481 2.393 0 40 IEAB Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 69846071 NSKPKPUAHJXSIJ-IYBDPMFKSA-N 440.548 2.301 0 40 IEAB CCN1CCc2noc(C3CCN(C(=O)Cn4nc(C)c5ccccc5c4=O)CC3)c2C1 72392397 FTSGKBOCNXKDOA-UHFFFAOYSA-N 435.528 2.477 0 40 IEAB COc1cc(CC(=O)N2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc(OC)c1OC 72394218 ZQDHRDYWBIBGLM-MRXNPFEDSA-N 448.541 2.460 0 40 IEAB Cn1cc(CN2C[C@@H]3CN(Cc4cccs4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 96056186 QWHNWAPTHNQHOJ-REWPJTCUSA-N 443.617 2.055 0 40 IEAB O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2ccc(F)cc2)CC1 96117758 HQFYKRUUIOUQOI-NRFANRHFSA-N 438.503 2.437 0 40 IEAB Cc1ccccc1CC(=O)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 97943477 KPMQZGSGGCBSCB-JOCHJYFZSA-N 445.523 2.385 0 40 IEAB C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccco1 101474184 DVZJLEANHPSHPF-OKZBNKHCSA-N 447.557 2.185 0 40 IEAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cccs2)[C@H]31 102786299 DVRQTSNAVXBUAN-OTNOVVEMSA-N 448.547 2.056 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)OC)[C@@H]2C1=O 103996932 TZIHBFDCGFSPRF-NMLBUPMWSA-N 432.432 2.162 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1nc(-c2ccccc2)no1 225171573 DBAVRXAHAIPVPH-UHFFFAOYSA-N 444.513 2.245 0 40 IEAB O=C(NCc1ccccc1)[C@H]1[C@@H]2C(=O)N(C3CC3)[C@@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 245229743 FBEYRBZCIYJZCO-CGISYENWSA-N 449.551 2.065 0 40 IEAB Cc1ccc2nccc(N3CCC(O)(CN(C)C(=O)c4cccc(OCCN)c4)CC3)c2n1 257215044 COKAJZAHKLQRJN-UHFFFAOYSA-N 449.555 2.379 0 40 IEAB CN1CCN([C@H]2CC[C@](CNC(=O)[C@@H]3CCCOC3)(c3ccccc3)CC[C@@H]2O)CC1 257232603 GLPLWFNQUTZSIN-GIQJJWITSA-N 429.605 2.018 0 40 IEAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 257281686 OQMKAZZBTTVZEE-XMMPIXPASA-N 447.583 2.333 0 40 IEAB Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCOCC2)C1 257315533 VBVXNNJYZMIYCU-UGKGYDQZSA-N 440.544 2.114 0 40 IEAB CCOC(=O)Nc1cc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)ccc1OCC 408586705 PVEUEFUJCNRPID-UHFFFAOYSA-N 429.495 2.117 0 40 IEAB COc1c2c(c(CNC(=O)/C=C/c3ccc4c(c3)OCO4)c3c1C(=O)N(C)CC3)OCO2 604404550 PIDABUVBJZXLSY-GQCTYLIASA-N 438.436 2.110 0 40 IEAB biogenic Cn1ccnc1[C@]1(CNC(=O)c2cc3sc4ccccc4c3s2)NC(=O)NC1=O 1616034968 IMMHQRWSCFBAEF-IBGZPJMESA-N 425.495 2.314 0 40 IEAB FC(F)(F)c1nnc2ccc(N3CCN(c4nccc(-c5ccccn5)n4)CC3)nn12 2087045953 YASCBHLDQPTNJQ-UHFFFAOYSA-N 427.394 2.322 0 40 IEAB COc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 3247024 YRSIWWNWSFODOM-UHFFFAOYSA-N 446.525 2.343 0 40 IEAB Cc1cc(=O)c(C(=O)N2CCN(C(=O)C3CC3)CC2)nn1-c1ccccc1C(F)(F)F 9385653 NOSSQTGDBGQXRU-UHFFFAOYSA-N 434.418 2.254 0 40 IEAB CCOC(=O)c1c(C)oc2nc(COC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)nc(N)c12 11396550 NIDILSNGCXWQCL-LBPRGKRZSA-N 430.461 2.124 0 40 IEAB O=C1NC2(CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)C(=O)N1Cc1ccccc1 11612499 PWNDGENQKHAACB-UHFFFAOYSA-N 435.452 2.240 0 40 IEAB O=S1(=O)CC[C@H](n2nc(-c3ccc(Cl)cc3)cc2NS(=O)(=O)c2c[nH]cn2)C1 11795835 DYDGHMZILLGZKN-ZDUSSCGKSA-N 441.922 2.087 0 40 IEAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@@H](C(F)(F)F)C1 12858677 HEFXRTINFPMTAU-JKSUJKDBSA-N 433.496 2.182 0 40 IEAB O=C(NCCCc1ccccc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 12897251 ISMJPIZKTNKKRE-RBODFLQRSA-N 432.476 2.451 0 40 IEAB CCCn1c(=O)n(CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c2ccccc21 12993418 MRAHKMSKZAGKAX-UHFFFAOYSA-N 444.557 2.186 0 40 IEAB COCCn1nnnc1CN(CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O 13033265 GTRWLOSRUPDQSC-UHFFFAOYSA-N 448.527 2.415 0 40 IEAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c1 13246836 AFRPJHBGNOVPDD-OAHLLOKOSA-N 443.930 2.416 0 40 IEAB O=C(CN(C(=O)c1csnn1)c1ccc2c(c1)OCCO2)NCc1ccc(F)cc1 15935951 GDPKDCAHAYRNOH-UHFFFAOYSA-N 428.445 2.412 0 40 IEAB CC(=O)N1CCCN(C(=O)CN2C[C@@H](c3csnn3)[C@H](c3ccc(C)cc3)C2)CC1 19211990 OBDJLSSSWQLVEX-VQTJNVASSA-N 427.574 2.110 0 40 IEAB O=C(COC[C@@H]1CCCCO1)N1CCC[C@@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19406982 VKCYBSRFGMFJOE-FXUDXRNXSA-N 431.459 2.390 0 40 IEAB COc1ccccc1CNC(=O)c1cnc(C2CCN(CC(=O)N3CCC3)CC2)nc1C 19766563 OGOBZINHCKQVPS-UHFFFAOYSA-N 437.544 2.135 0 40 IEAB O=C(CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)NC[C@H](O)c1ccccc1 20722048 BFJPSFPDGSNZES-QFIPXVFZSA-N 448.523 2.082 0 40 IEAB Cc1nc(SCC(=O)O[C@@H](C)C(=O)NCCc2ccccc2)c(C(N)=O)c(C)c1C 20974553 CJEUMSLZFCXHAB-INIZCTEOSA-N 429.542 2.488 0 40 IEAB CC1CCN(c2ccc(NC(=O)CN3CCN(CC(=O)N4CCCC4)CC3)cc2)CC1 22802163 YZYGPRPJHXMFAY-UHFFFAOYSA-N 427.593 2.101 0 40 IEAB CCn1cccc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2C)c1=O 23136308 IKPFFJCBINXZJM-UHFFFAOYSA-N 429.502 2.412 0 40 IEAB CC(C)(COC[C@@H](O)CNCc1ccccc1)COC[C@@H](O)CNCc1ccccc1 26897811 MGRVCATYPCDQCG-ZEQRLZLVSA-N 430.589 2.347 0 40 IEAB CCCc1ccc(N2C[C@@H](C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)CC2=O)cc1 29884539 LTEQPQHLIJIZSG-SFHVURJKSA-N 440.544 2.363 0 40 IEAB COc1cc([C@@H]2NC(=O)N[C@@](O)(c3ccc(F)cc3)[C@H]2C(=O)C(F)(F)F)ccc1O 35099423 OSUXVINHXSIPRE-RVKKMQEKSA-N 428.338 2.487 0 40 IEAB O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H](c1ccc(F)cc1)c1cccs1 36007165 CYXFSUAYTHDBHF-GHTZIAJQSA-N 431.533 2.416 0 40 IEAB C[C@@H](c1cccc(C(F)(F)F)c1)N(CC(=O)N1CCN(S(C)(=O)=O)CC1)C1CC1 40155726 XSXGJTCBMZSBAF-AWEZNQCLSA-N 433.496 2.335 0 40 IEAB O=S(=O)(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cnn(-c2ccccc2)c1 57997165 ZLVACFVGCXCWGF-OAQYLSRUSA-N 430.505 2.363 0 40 IEAB Cc1ccc(-n2c(O)nc3nc(N4CCN(c5ccccn5)CC4)ncc3c2=O)c(C)c1 67283389 NSWAABXORFDFEL-UHFFFAOYSA-N 429.484 2.220 0 40 IEAB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2COc3ccc(Br)cc32)C1=O 95976370 IBNUTJRXFIUCTI-LIRRHRJNSA-N 430.258 2.424 0 40 IEAB COc1ccc(-c2nn([C@@H](C)C(=O)NCc3c(C)nn(C)c3C)c(=O)cc2OC)cc1 96101010 ZYARKLWJAJCYIW-HNNXBMFYSA-N 425.489 2.155 0 40 IEAB Cc1cccc(/C=c2\s/c(=C/C(=O)c3ccco3)n(CC(=O)NC3CCCC3)c2=O)c1 96920409 RPGCZDBGXSKNFD-SXCHYNCESA-N 436.533 2.362 0 40 IEAB O[C@H]1C[C@@H](SC2=N[C@H](C(F)(F)F)C[C@@H](c3ccc4c(c3)OCO4)N2)[C@@H]2CO[C@@H]1O2 101670830 HWZQGAWBBFDJRA-VFRWPDSZSA-N 432.420 2.345 0 40 IEAB COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(S(C)(=O)=O)cc1 206798918 BEJVFQBPWXVWCR-VQIMIIECSA-N 449.500 2.383 0 40 IEAB Cc1ccc(-c2noc(CNC(=O)CN(c3ccccc3F)S(=O)(=O)N(C)C)n2)cc1 219244996 AAOVNPCPLDKZNE-UHFFFAOYSA-N 447.492 2.113 0 40 IEAB COC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 220209154 PQEYSRTXWVOJTJ-ZDUSSCGKSA-N 436.486 2.284 0 40 IEAB CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(CN4CCCC4=O)cc3)ccc21 223867100 HSVKLLAEQVKFTP-UHFFFAOYSA-N 427.526 2.197 0 40 IEAB O=C1CCCN1CC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 257218733 DEGHURKWVPKHFZ-LJQANCHMSA-N 432.908 2.207 0 40 IEAB Cc1ccc(Oc2ncccc2C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(N)=O)cn1 257261819 LIXIWITVPPLSQG-OAQYLSRUSA-N 431.496 2.389 0 40 IEAB CNc1cc(N2CCC[C@@](O)(CNC(=O)c3ccc(CN4CCCCC4)cc3)C2)ncn1 257282554 OUFLYLBALJIUPJ-XMMPIXPASA-N 438.576 2.266 0 40 IEAB CN(C)c1cncc([C@H]2CCCN2C(=O)c2ccccc2OCCN2CCOCC2)n1 257301459 RYNHCEGOUPXSAA-HXUWFJFHSA-N 425.533 2.231 0 40 IEAB O=C(c1ccccc1)N1CCc2nc3n(c(=O)c2C1)CC1(CCN(c2ncccn2)CC1)C3 306135931 PESJVABXUZZKLB-UHFFFAOYSA-N 442.523 2.075 0 40 IEAB COC[C@H](C)NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 408636709 TZYDWOOTMNJCNG-SFHVURJKSA-N 434.558 2.388 0 40 IEAB COCCNC(=O)Cn1cc(/C=C2\SC(=O)NC2=O)c2cc(Br)ccc21 409148029 WYJMINPURAQQFR-NSIKDUERSA-N 438.303 2.490 0 40 IEAB Cc1ccc(NC(SCC(=O)NCc2ccco2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409370920 VKWKBMXSVZDOPZ-UHFFFAOYSA-N 442.497 2.312 0 40 IEAB Cc1ccc(C)c(-n2cnc(=O)n2Cc2cc(=O)n3cc(Br)ccc3n2)c1 538897527 NDWOHMZXHVOUPR-UHFFFAOYSA-N 426.274 2.470 0 40 IEAB Cc1cc(C)cc(S(=O)(=O)N2CC3(C2)OCC[C@@H]3CCNC(=O)c2cscn2)c1 575405740 ZPLLQUOEJAVAOR-INIZCTEOSA-N 435.571 2.360 0 40 IEAB Cc1ccc2nc(CN3C(=O)C[C@H]4[C@@H]3CCN4Cc3ccnc(N4CCOCC4)c3)cn2c1 585109014 NXCDCPAVZGWGMF-VXKWHMMOSA-N 446.555 2.250 0 40 IEAB C[C@]1(c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c2)NC(=O)NC1=O 642597341 XPMDCTHRLKAQHU-IQMFZBJNSA-N 438.459 2.371 0 40 IEAB Cc1ocnc1C(=O)N1CCCCNC(=O)c2cc(Cl)ccc2OC[C@@H](C)NC(=O)C1 643559605 ZYCWDIUEMLXYJQ-CYBMUJFWSA-N 448.907 2.186 0 40 IEAB O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2 2975345 NSPWPGIBOCGCTA-UHFFFAOYSA-N 427.438 2.223 0 40 IEAB O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1cccs1 8601463 VPTHHOXNWZZPEO-QGZVFWFLSA-N 432.523 2.331 0 40 IEAB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccc(Br)cc1 8927380 VYDYNYVODSDUMG-HNNXBMFYSA-N 445.269 2.369 0 40 IEAB Cn1c(=O)c2c(nc3n(-c4ccc5c(c4)OCCO5)c(-c4ccc(F)cc4)cn23)n(C)c1=O 9086175 SAZYGQQIYLMYIW-UHFFFAOYSA-N 447.426 2.253 0 40 IEAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC[C@@H]2COc3ccccc3O2)c1 9255410 FJSUZHZWVOCMQT-MRXNPFEDSA-N 445.541 2.107 0 40 IEAB CC(C)c1nc(SCC(=O)Nc2ccc(F)cc2F)c2c(=O)n(C)c(=O)n(C)c2n1 9382353 HOGJSJXMXGPQHU-UHFFFAOYSA-N 435.456 2.160 0 40 IEAB Cc1ccc(C)c(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 9425429 DWUOHNRHKQIPCX-UHFFFAOYSA-N 446.525 2.428 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1Cl 9674868 PGIKYWJVLCQYQP-IAGOWNOFSA-N 431.811 2.420 0 40 IEAB COc1ccc(CN[C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC 9792158 ACFUXOWSEDEGCL-HNNXBMFYSA-N 435.546 2.379 0 40 IEAB Cc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1 12789509 QGGJJECEHABABD-UHFFFAOYSA-N 432.498 2.009 0 40 IEAB CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1F 13690675 XPWBECDXQMSTKB-UHFFFAOYSA-N 428.463 2.092 0 40 IEAB CCOc1ccccc1NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 15047816 WLFZRJNOWAUJMI-OAQYLSRUSA-N 425.485 2.150 0 40 IEAB COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 15950140 NYKDWTMTGALFSA-UHFFFAOYSA-N 437.949 2.284 0 40 IEAB O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCc1ccc2c(c1)OCO2 16851164 UVAQRFTUQLDOFO-UHFFFAOYSA-N 426.454 2.061 0 40 IEAB COc1ccc2c(c1)O[C@@]1(CCC(=O)N(CC(=O)N(C)C3CCCCC3)CC1)CNC2=O 19585833 SDFYIGZFWSZKBM-XMMPIXPASA-N 443.544 2.360 0 40 IEAB Cc1cnc(NC(=O)CN2CCO[C@@]3(CC=CCN(Cc4ccccc4)C3=O)C2)s1 19704439 WKLLUCFGBXRDKY-QFIPXVFZSA-N 426.542 2.450 0 40 IEAB COc1cccc(OCc2nnc(SCC(=O)N3CCc4sccc4C3)n2N)c1 22317305 XUWMTGGFOJAUQF-UHFFFAOYSA-N 431.543 2.318 0 40 IEAB O=S(=O)(c1ccc(Cl)s1)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 23409965 SNZVIFRCVATPNU-HNNXBMFYSA-N 448.969 2.425 0 40 IEAB COc1ccc(Cc2nnc(SCC(=O)Nc3c(C)cccc3C)n(N)c2=O)cc1 27752218 OJIJQAISLZPHAE-UHFFFAOYSA-N 425.514 2.299 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCN(C)CC4)cc3)CC2=O)cc1OC 28435166 RMZCKBJZJBOQBY-KRWDZBQOSA-N 438.528 2.447 0 40 IEAB COc1ccc(C(=O)c2c(N)c(C(=O)NCCCN3CCOCC3)c3ccccn23)cc1 32611762 OSVKYUGZBVJZPH-UHFFFAOYSA-N 436.512 2.213 0 40 IEAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)O[C@H]2O 67665224 LXQCMXKVEDZJIB-HRSBDIQVSA-N 449.500 2.015 0 40 IEAB in-vitro CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)C2CCCCC2)CC1 72335922 TUKBSUNPGOADJX-UHFFFAOYSA-N 436.578 2.003 0 40 IEAB CC(=O)NCC(=O)N1CCO[C@](Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)N(C)C)C1 72389159 CUKOFESLUFKJLI-VWLOTQADSA-N 437.540 2.026 0 40 IEAB COC(=O)[C@]1(Cc2ccc3c(c2)C[C@H](O)C(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1 84724161 NSXYYYUKWBLFQH-MHECFPHRSA-N 440.448 2.447 0 40 IEAB biogenic COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]32)c(OC)c1 96319858 DWWRNJUUMBJLQP-QZTJIDSGSA-N 443.847 2.289 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 105547852 RIIDCRVWVZUQIQ-HNNXBMFYSA-N 443.953 2.041 0 40 IEAB COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1OCC(=O)O 205817781 AFOZIZFQFAGKDN-XNTDXEJSSA-N 434.470 2.207 0 40 IEAB CCc1ccc(OCCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 223659997 IRYVBBAIQIZTAF-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1 224566620 GEQJTLFZZYMALJ-OAHLLOKOSA-N 437.543 2.098 0 40 IEAB Cc1nc2ccccc2n1CCCC(=O)N[C@H]1CCC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257297376 RGZDCZIRTXWKAT-MDKPJZGXSA-N 448.531 2.118 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)NC(C)C)cc2)cc1OC 409201058 USGUWABYRCWCRI-UHFFFAOYSA-N 436.530 2.128 0 40 IEAB CCc1ccc(NC(SCC(=O)NCC(C)C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409374883 AXARLMVOQRNWSC-UHFFFAOYSA-N 432.546 2.428 0 40 IEAB CN(C)CCOc1ccccc1N1CCN(C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 510308734 YQKVALXJZMWICT-HXUWFJFHSA-N 438.576 2.133 0 40 IEAB CCCn1cc(C(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)cn1 585286115 NCRDMSTXVAGTDT-NRFANRHFSA-N 434.924 2.421 0 40 IEAB Cc1cc(C)n([C@H](CNC(=O)C(=O)NCc2ccc3c(c2)OCO3)c2ccsc2)n1 825148910 IRXSQVWSDLUWJF-QGZVFWFLSA-N 426.498 2.312 0 40 IEAB CCn1cc(S(=O)(=O)N2CCN(c3ncnc(-c4ccccc4)c3F)CC2)nc1C 1775971463 OUMFWROEDXDSHO-UHFFFAOYSA-N 430.509 2.318 0 40 IEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3358142 ZBOKUVFEKNWVJT-UHFFFAOYSA-N 449.444 2.443 0 40 IEAB Cc1c(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c(=O)n(-c2ccccc2)n1C 3592909 ADCUKKHZZFMRIA-UHFFFAOYSA-N 425.489 2.068 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)O 8791314 HRCMHRFKYHUSDF-XPGWFJOJSA-N 437.496 2.100 0 40 IEAB biogenic C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1ccc(-n2ccnc2)cc1 9378134 GLFGCYACNIWWKU-GOSISDBHSA-N 429.480 2.121 0 40 IEAB COc1cccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)NC4CC4)c3)CC2)c1 9792119 NZGLWXFCZFLOKG-UHFFFAOYSA-N 445.541 2.107 0 40 IEAB COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccccc3C(N)=O)cs2)cc1 9828677 FYDYHBBPEGTPAG-UHFFFAOYSA-N 446.510 2.233 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(C[C@@H]3CCCO3)c(=O)c2[C@@H]1c1ccc(OC)cc1 10166074 RNAMSZDQJHRUNK-WMZOPIPTSA-N 426.469 2.212 0 40 IEAB Cc1nn(CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(=O)c2ccccc12 12915041 XQGUOUXSRQJRHB-UHFFFAOYSA-N 432.933 2.322 0 40 IEAB CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)c1ccc(C)cc1 13006560 RGLJCCDFRNDKRP-JOCHJYFZSA-N 440.519 2.484 0 40 IEAB COc1ccc2c(CN3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc(=O)oc2c1 13042504 BQHDLCJZQBABLN-JOCHJYFZSA-N 436.464 2.286 0 40 IEAB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCC(=O)N1CC(=O)Nc2ccccc21 13149171 DYQMAFFOBUAJME-UHFFFAOYSA-N 439.512 2.238 0 40 IEAB CCOC(=O)Cc1c(C(=O)OCC)nnc2c(-c3ccc(OC)c(OC)c3)c(C)nn12 13639258 FFLLVYUGNJQXIG-UHFFFAOYSA-N 428.445 2.399 0 40 IEAB Cc1csc(CC(=O)N2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)n1 14022997 VKEVDXLUMMUKEN-UHFFFAOYSA-N 426.542 2.101 0 40 IEAB NC(=O)c1ccsc1NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N 14142265 CGQAWJYPHSGHBP-UHFFFAOYSA-N 440.457 2.152 0 40 IEAB O=C(c1ccccc1Br)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 16689896 NFXYOZABNOKZLI-UHFFFAOYSA-N 432.322 2.038 0 40 IEAB Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3ncccc32)cc1 17042273 CCSQPTBAKIJMNO-UHFFFAOYSA-N 444.447 2.282 0 40 IEAB O=C(Cn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21)N[C@@H]1CCS(=O)(=O)C1 19332264 HXRWBKVXCGCKLN-CQSZACIVSA-N 449.891 2.363 0 40 IEAB Cc1nc(C)c(C(=O)N2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccccc4C(=O)N3)C2)s1 19559978 CQUJTFDFJNGRME-VGSWGCGISA-N 426.542 2.035 0 40 IEAB COCCNC(=O)c1sc2ccccc2c1[C@H]1CN(C(=O)c2cccnc2N)CCO1 19697847 IJTPKAUBSFOPDB-MRXNPFEDSA-N 440.525 2.468 0 40 IEAB Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)sc2ncn(C)c(=O)c12 23561910 FQDKAFCCWSGSIM-MRXNPFEDSA-N 430.505 2.246 0 40 IEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 28209580 KRWVLRSEQSCSFG-OAQYLSRUSA-N 441.553 2.019 0 40 IEAB CCc1c(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cnn1-c1ccc(OC)nn1 40089577 FKTUJEMBHMDQKM-MRXNPFEDSA-N 440.548 2.344 0 40 IEAB COc1cccc2cc(C(=O)NCCn3nc(C4CC4)n(-c4ccccc4)c3=O)c(=O)oc12 77197995 RMHVVBPRFRJBBS-UHFFFAOYSA-N 446.463 2.456 0 40 IEAB CNC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)CC1 78976276 MXCXJNNAWQVCIB-UHFFFAOYSA-N 430.530 2.201 0 40 IEAB Cc1ccc(-c2cc3c4nn(CC(=O)Nc5ccc6c(c5)OCO6)c(=O)n4ccn3n2)cc1 85643114 NAPPOQJGZKOUQR-UHFFFAOYSA-N 442.435 2.487 0 40 IEAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N3CCc4ccccc4C3)C2=O)cc1OC 96222756 CNMVSAVMKFDRJX-IBGZPJMESA-N 437.496 2.489 0 40 IEAB biogenic 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COc1ccccc1CCC(=O)N1CCO[C@](COc2ccc(F)cc2)(CC(N)=O)C1 585282975 LBYKNQWOXGFAPX-HSZRJFAPSA-N 430.476 2.319 0 40 IEAB CO[C@@H]1CC(=O)[C@H]2[C@H]3C(=C(/C=C/C=C/C=C/C(=O)O)O[C@H]31)C(=O)O[C@@H](C)CCC[C@H]2O 1772591673 KZMINERHJZACPQ-PDHBOLEISA-N 432.469 2.089 0 40 IEAB Cc1sc(NC(=O)CN2CCN(C(=O)/C=C/c3ccccc3)CC2)c(C(N)=O)c1C 1368439 OIJNJJOUHRBMAD-CMDGGOBGSA-N 426.542 2.260 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 1426230 PWRWWNARZVSFOM-SFHVURJKSA-N 447.513 2.454 0 40 IEAB CCOC(=O)CNC(=O)CSc1nnc(-c2cccc(OC)c2)n1Cc1ccco1 2447518 MYSBEJPLICQZBY-UHFFFAOYSA-N 430.486 2.366 0 40 IEAB COC[C@H](C)n1c(SCC(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc2c1=O 2621981 XCACBDAHKGAJHX-ZDUSSCGKSA-N 426.498 2.434 0 40 IEAB CC(C)CN(C(=O)COC(=O)/C=C/c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 3368812 BQPZNBJTOACUNP-BPJJOFIESA-N 448.335 2.270 0 40 IEAB O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CCCC1)OCO3 6446655 RVJZIWZTCLCUNX-NRFANRHFSA-N 430.468 2.477 0 40 IEAB 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COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCS(=O)(=O)c1ccccc1 206798345 ORFNAFZXWNTYBI-CRAIPNDOSA-N 435.473 2.211 0 40 IEAB CC[C@H](C(=O)NCCCN1CCOCC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220738113 LTWDAAFKHACEOC-GOSISDBHSA-N 431.986 2.032 0 40 IEAB COC(=O)c1cn(S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c2ccccc12 222648211 DCIYOSJKEHQEJO-UHFFFAOYSA-N 442.449 2.327 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2c3ccccc3C[C@@H]2C)cc1 222924766 RMHTUKJGZCGEMP-KRWDZBQOSA-N 431.558 2.273 0 40 IEAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)c1 222957298 TYWSNKITEKJTAP-UHFFFAOYSA-N 428.492 2.119 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223661450 AWIBUAUJXRFZQO-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB COC(=O)[C@H]1CN(C(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c2ccccc2O1 225971732 FZXNZWZWXMJDAW-QGZVFWFLSA-N 438.889 2.317 0 40 IEAB Cc1cc(C)n(CCCC(=O)N2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)c(=O)n1 257224497 FCAYFNTVNVYVLM-NRFANRHFSA-N 434.500 2.092 0 40 IEAB CN(C)c1ncc(C(=O)N2CCC3(CC2)CO[C@H]([C@@]2(C)CC[C@@H](C(C)(C)O)O2)C3)cn1 257299201 RPCRQYLQNKKLSF-NPPFBWRTSA-N 432.565 2.263 0 40 IEAB COc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 408659528 SSRAOEWCSYJDRP-CYBMUJFWSA-N 445.859 2.024 0 40 IEAB O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1csc([C@H]2CCCO2)n1 534422412 BOFYAGDCSWXZEL-DOTOQJQBSA-N 444.561 2.020 0 40 IEAB COc1c2c(c(CNC(=O)c3cncc(Br)c3)c3c1C(=O)N(C)CC3)OCO2 604404661 PZMIJPBSLREBGU-UHFFFAOYSA-N 448.273 2.140 0 40 IEAB biogenic COc1ccccc1C(=O)N1CCC2(CCCCOCCCNC(=O)[C@H](C)NC2=O)CC1 643565380 YGVYOOOVYVMSBA-SFHVURJKSA-N 445.560 2.129 0 40 IEAB COc1ccc(-c2ncnc(N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)c2F)cc1 1775972644 PJRVNIQSMGLNMX-UHFFFAOYSA-N 447.492 2.407 0 40 IEAB COCCn1cnc2c(N3C[C@@H]4CN(c5ccc(C(F)(F)F)nc5)C[C@H]4C3)ncnc21 1888913564 IWXNGJBRUYRSLN-KBPBESRZSA-N 433.438 2.459 0 40 IEAB O=C(OCC(=O)N1CCc2ccccc21)C1CCN(S(=O)(=O)c2cccs2)CC1 3319943 ZQQQMOVDAYWZLO-UHFFFAOYSA-N 434.539 2.281 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2OC)c1 3620426 CEWVHTCNVXCJBG-UHFFFAOYSA-N 434.514 2.199 0 40 IEAB CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 6764535 JKYHTXXZQANRDI-UHFFFAOYSA-N 426.510 2.028 0 40 IEAB Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)COc3ccccc3F)c2=O)c1 9016170 PAALUAUKJJWBHB-UHFFFAOYSA-N 435.459 2.284 0 40 IEAB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2 9263225 CTEHYDTYRHVDAB-UHFFFAOYSA-N 425.470 2.456 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(Cl)c4)[C@H]3C2=O)cc1OC 9675552 PDHHBNXFPFCOHX-QZTJIDSGSA-N 443.847 2.289 0 40 IEAB CCc1cccc(C)c1NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 9962216 JHWPFQKPOMMGAC-UHFFFAOYSA-N 429.498 2.168 0 40 IEAB Cc1ccccc1Cn1c(=O)c2c(nc3n(CCCn4ccnc4)c(C)cn23)n(C)c1=O 10233356 BTZZHHOGOXIAIP-UHFFFAOYSA-N 431.500 2.101 0 40 IEAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)C2=O)cc1 11010230 RVYXBTGQWUWOHE-JOCHJYFZSA-N 443.525 2.448 0 40 IEAB CCCn1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 11796853 WSTCOZPXIWXRQM-UHFFFAOYSA-N 443.935 2.065 0 40 IEAB O=C1COc2ccc(S(=O)(=O)Nc3ccccc3C(=O)NCc3ccco3)cc2N1 12521048 XBANPVXSUNXXCT-UHFFFAOYSA-N 427.438 2.341 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CCNC(=O)c2cccs2)s1 12766025 YWUMRSOFSOEZAS-UHFFFAOYSA-N 429.589 2.276 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)c(C)c1 13009442 HESYKLRBHZUZRV-UHFFFAOYSA-N 426.546 2.407 0 40 IEAB CCCCn1c(N)c(N(CCC)C(=O)CC[C@H]2Cc3ccccc3NC2=O)c(=O)[nH]c1=O 14849449 ZPMKGABEYXUPMQ-INIZCTEOSA-N 441.532 2.253 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)cc1 16687861 SPAXROIKIVKIJL-UHFFFAOYSA-N 436.486 2.140 0 40 IEAB COc1cccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)c1OC 16737408 AOJQIUKIMZAHAA-BOPFTXTBSA-N 441.896 2.320 0 40 IEAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)[C@H]4CCCO4)C3)n2)CC1 19085281 NRXVYWWWDLLPKQ-IEBWSBKVSA-N 430.549 2.429 0 40 IEAB CCCn1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)CC)C3)cn1 19526085 OIGRHPFMFKRQRD-SFHVURJKSA-N 426.521 2.039 0 40 IEAB Cc1nn(C)c(C)c1NC(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3)c21 19577822 NWSDBJSZIICDIE-UHFFFAOYSA-N 432.488 2.254 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)C1 19696128 WZXWMAVJDYIISJ-LJQANCHMSA-N 441.576 2.487 0 40 IEAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 20022250 ZKXGSCCZQLCGJW-KRWDZBQOSA-N 448.541 2.281 0 40 IEAB c1csc([C@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)c1 20649198 GOJASSPUJZFDBA-FQEVSTJZSA-N 437.573 2.363 0 40 IEAB COc1ccc(-c2noc(CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)n2)cc1 23259338 IMHPMYFMHDNDRJ-FQEVSTJZSA-N 436.468 2.229 0 40 IEAB O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NCCc1cn2ccccc2n1 23319049 GDDSSMWYOFNTPP-UHFFFAOYSA-N 440.447 2.380 0 40 IEAB CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 27377099 JNDWLBGGAWWFSA-UHFFFAOYSA-N 445.541 2.346 0 40 IEAB C[C@@H]1C[C@@H](OC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)C(=O)O1 32736376 MKWQZKTYUSNPTJ-OXQOHEQNSA-N 444.509 2.058 0 40 IEAB O=C(NCCSc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 32768693 YQFUYAPJLWYAGQ-UHFFFAOYSA-N 429.951 2.211 0 40 IEAB CCN(CC)C(=O)CN1CCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 35271318 DJDZMMWIHATRJW-QGZVFWFLSA-N 438.981 2.156 0 40 IEAB COc1ccc(C2=NC3(CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)NC2=O)cc1 35432422 PPWVFHCXCLGVAE-UHFFFAOYSA-N 427.526 2.412 0 40 IEAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 40122816 WXMOKAOTHPJUTG-UHFFFAOYSA-N 445.523 2.238 0 40 IEAB CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)c1 72359153 NOUZVJVGXAMZFG-QGZVFWFLSA-N 440.529 2.404 0 40 IEAB COCCN1CC2(CCN(Cc3ccncc3)CC2)COc2ccccc2S1(=O)=O 96037179 RIMUSIOEUHLKOB-UHFFFAOYSA-N 431.558 2.394 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 96269301 WDPQEYATNKJGKN-SFHVURJKSA-N 426.498 2.386 0 40 IEAB biogenic,in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(I)cc1 108157936 MMCJYQRUFIUEIT-RISCZKNCSA-N 436.315 2.264 0 40 IEAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223877249 QBISUFIXAUEVNJ-YTQUADARSA-N 443.519 2.410 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3c(OC)cccc3OC)CC2)cc1 226074677 RKMSATYESCZMHZ-UHFFFAOYSA-N 448.541 2.430 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)CC2=O)c(OC)c1 408657313 JJFANOLSGWBVQX-INIZCTEOSA-N 440.452 2.441 0 40 IEAB Cc1ccc(C)c(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccccc2)c1 409024869 IKOHNRJEQTXQTB-UHFFFAOYSA-N 429.542 2.223 0 40 IEAB O=C([C@H]1CCS(=O)(=O)c2ccccc21)N1CCN(c2ncnc3ccsc23)CC1 551237921 MMIPSPUJALFKCE-HNNXBMFYSA-N 428.539 2.301 0 40 IEAB Cc1ncnc(OCC2CCN(C(=O)C[C@@H]3CSc4ncc(C)c(=O)n43)CC2)c1C 1565522882 USCYQEJCXHHWOW-QGZVFWFLSA-N 429.546 2.313 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3C[C@H]4CCC[C@@]4(COc4ncc(F)cn4)C3)ccc2N1 1888903959 MWIABBXMAUTCIS-VFNWGFHPSA-N 446.504 2.370 0 40 IEAB O=C(NC1CC1)c1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 1346154 UFISWOANTJKWKU-UHFFFAOYSA-N 445.516 2.301 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)no1 2652164 PJIRTVIRZJVUGO-UHFFFAOYSA-N 429.454 2.257 0 40 IEAB Cc1ccc(C(=O)Nc2cc(C(=O)N3CCOCC3)cc(C(=O)N3CCOCC3)c2)cc1 3626353 FODUQTYVCMWERR-UHFFFAOYSA-N 437.496 2.192 0 40 IEAB CCN1CCN(c2ccc(NC(=O)CCCN3C(=O)NC4(CCCC4)C3=O)cc2)CC1 8723582 PEJOBEYFOAVYON-UHFFFAOYSA-N 427.549 2.412 0 40 IEAB CSCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)O 9537132 LASPGCUIKGITES-CQSZACIVSA-N 434.967 2.451 0 40 IEAB COc1cccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(C)(=O)=O)c1 9667736 AFGGRPTUVLGGFD-UHFFFAOYSA-N 431.558 2.427 0 40 IEAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O 9731015 DXPZRWUDJYWFPS-VWLOTQADSA-N 448.523 2.418 0 40 IEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9821480 PTAXZWRITYVQMR-QGZVFWFLSA-N 442.493 2.356 0 40 IEAB C[C@H]1C[C@H](OC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)O1 9835346 JYMQMAIGGKJKIQ-NHYWBVRUSA-N 435.420 2.353 0 40 IEAB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 11758627 ZKCBIEKORCFYAF-UHFFFAOYSA-N 438.444 2.487 0 40 IEAB O=C(Nc1cccc2cccnc12)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030787 GDPTXXHBCVPMIP-KRWDZBQOSA-N 430.507 2.448 0 40 IEAB COCCc1nnc(NC(=O)[C@H](C)N2CC3(CCOCC3)Oc3ccccc3C2=O)s1 12086874 GIRLDXFWIDSZNX-AWEZNQCLSA-N 446.529 2.138 0 40 IEAB Cc1nc2cc(C(=O)N3CCC[C@H]([C@@H]4Nc5ccccc5S(=O)(=O)N4)C3)ccc2n1C 12088092 CKIBYHCKUJSYDE-HRAATJIYSA-N 439.541 2.464 0 40 IEAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@@H]1CCCN(C(=O)c2cscn2)C1 12132898 ADSOKVNYOZGJRP-CQSZACIVSA-N 429.527 2.418 0 40 IEAB COc1ccc(CNC(=O)CSc2nnc(N3CCOCC3)n2Cc2ccco2)cc1 12216485 QOPIGBWLZZSAHN-UHFFFAOYSA-N 443.529 2.173 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)O 12885358 OTKIBBDKIOYGGC-ICSRJNTNSA-N 437.496 2.100 0 40 IEAB biogenic C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1CCCO)c1ccc2c(c1)OCO2 14114096 LDFGVOSLCPECOQ-CQSZACIVSA-N 441.509 2.477 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)c1 14201429 YKTBMWIXZWHHNY-BFYDXBDKSA-N 438.546 2.279 0 40 IEAB COc1cccc2c1O[C@@H](CN1CCN(C[C@H]3COc4cccc(OC)c4O3)CC1)CO2 19365948 KHRMPWAELMUFBE-ROUUACIJSA-N 442.512 2.301 0 40 IEAB CCOC(=O)[C@H]1CCc2sc3ncn(CC(=O)NC(=O)Nc4ccccc4)c(=O)c3c21 19797243 GFCFYAXIOXEQBC-ZDUSSCGKSA-N 440.481 2.399 0 40 IEAB Cc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1 20140639 UXSQYLZPGDXOHH-FPOVZHCZSA-N 436.516 2.301 0 40 IEAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1 20613974 BKTNLYIBGWXTER-KRWDZBQOSA-N 431.876 2.197 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)Nc3nnc(SCCN4CCOCC4)s3)CC2=O)cc1 22627804 ZNKXEFMVSADRHX-OAHLLOKOSA-N 447.586 2.262 0 40 IEAB C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 22790487 CUBADWAPTSNUEK-FUHWJXTLSA-N 449.983 2.301 0 40 IEAB CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(OC)cc4)sc3nc2=O)cc1 26779354 HKFZOCVFFBTIIM-XSFVSMFZSA-N 435.505 2.447 0 40 IEAB CCCCn1c(CN2CCN(Cc3cc(C)no3)CC2)nc2cc(S(N)(=O)=O)ccc21 27562962 ALHXUOXNBRZTLI-UHFFFAOYSA-N 446.577 2.098 0 40 IEAB COc1cc([C@@H]2NC(=O)N[C@@](O)(c3ccc(F)cc3)[C@@H]2C(=O)C(F)(F)F)ccc1O 27754475 OSUXVINHXSIPRE-RLFYNMQTSA-N 428.338 2.487 0 40 IEAB O=C(Nc1nonc1-c1ccccc1)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 27985872 LUGQZMFUHJRBPJ-AWEZNQCLSA-N 427.486 2.424 0 40 IEAB CCCCCC[C@H](O)CCCCCC/C=C/[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](N)C(=O)O 31156846 OOEOVXMORBPOKC-AHNDFMKZSA-N 431.570 2.280 0 40 IEAB biogenic,in-vitro O=C(CCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1ccc(F)cc1 32983321 XRXQUVIJFAXEIE-NRFANRHFSA-N 426.444 2.299 0 40 IEAB COc1cc(C(=O)OCc2cccc(OC)c2OC)ccc1OCC(=O)N1CCOCC1 32990854 QISKACUYRRMQEF-UHFFFAOYSA-N 445.468 2.307 0 40 IEAB Cc1cc(Cl)c2c(c1)[C@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 35374794 AGIHIDZNRIRCTO-YVZOWHPPSA-N 445.947 2.472 0 40 IEAB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1)C(=O)NC1CCCC1 56945684 XGWMAWJRKBTCEP-FQEVSTJZSA-N 428.508 2.457 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@@H](C)O1 58309913 HWGOUXKXNIABSL-GASCZTMLSA-N 439.534 2.289 0 40 IEAB Cc1cc(NC(=O)CSCC(=O)NC2CCN(c3nc4ccccc4[nH]3)CC2)no1 65589720 XMZPYFNXSDMYPP-UHFFFAOYSA-N 428.518 2.316 0 40 IEAB CCOc1ccccc1NC(=O)c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)c1C 71327470 VRZZNAOHKOYUNM-UHFFFAOYSA-N 437.456 2.283 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCN1CCc2ccccc21 72272842 BGVOIIHJZRMGEE-LJQANCHMSA-N 433.599 2.266 0 40 IEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 72296801 AVOXALIOYHXVNU-ARFHVFGLSA-N 448.589 2.196 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3nnc(-c4ccsc4)o3)C2)ccc1OC 72390536 KMMQOUYJMOPACO-CYBMUJFWSA-N 448.526 2.345 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1 96099395 NCVAPKFZQHETTG-UHFFFAOYSA-N 436.555 2.015 0 40 IEAB CCN(C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 96620000 NVKSBMSIKLKOEQ-HZGBGQKMSA-N 443.554 2.435 0 40 IEAB CC(C)NC(=O)Cn1c(=O)/c(=C/c2ccc(Cl)cc2)s/c1=C/C(=O)c1ccco1 96920415 NMCLKESQPPZEAK-WRUJMICBSA-N 430.913 2.173 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 100286120 AIWUHOMYUGXUCX-HAGHYFMRSA-N 440.477 2.031 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 101656200 NWSJRKVKWADPHV-APYUEPQZSA-N 443.916 2.496 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)sc2c1CCC2 104927310 WGVJKHRKSVLMIC-UHFFFAOYSA-N 441.465 2.446 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2F)c(Cl)c1 222833792 PDNAFHDTGVSXTG-UHFFFAOYSA-N 444.912 2.441 0 40 IEAB COCCNS(=O)(=O)Cc1cccc(NC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)c1 223239375 ADYAGIDIXQUJCE-NRFANRHFSA-N 449.504 2.413 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1(c2ccccc2)CCOCC1 223357153 IUUHOEGGSATYQM-UHFFFAOYSA-N 430.526 2.394 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c(OC)c1 223654218 HSGCDWILIACEDG-UHFFFAOYSA-N 442.921 2.318 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2OC)cc1C(=O)N1CCOCC1 225810783 LLFNVIDVAFPKFF-OAHLLOKOSA-N 434.514 2.216 0 40 IEAB Cc1ccc2nccc(N3CC[C@@](O)(CNC(=O)c4ccc(OCCCN)cc4)C3)c2n1 257297932 RJKRKXJEELUTNW-XMMPIXPASA-N 435.528 2.037 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 260838572 SVHFTGFJAYCGAX-JTSKRJEESA-N 444.509 2.171 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(Cc4cccnc4OC)C[C@H]2C3)cc1 306135406 OPZZYQAJTFWXKK-IAGOWNOFSA-N 434.500 2.247 0 40 IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(=O)OCC)CC2)c(Cl)c1 408558202 PVAAUTYIUKLFDD-UHFFFAOYSA-N 446.953 2.209 0 40 IEAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCOc1ccc(Br)cc1 524733760 NOZYTSKBUNCFRK-INIZCTEOSA-N 432.274 2.085 0 40 IEAB Cc1ccc(CC(=O)N2CCO[C@]3(C2)C(=O)N(CCN(C)C)C[C@H]3c2ccccc2)cc1 585106741 HAJDXASMFRHZFM-OZXSUGGESA-N 435.568 2.323 0 40 IEAB O=C(c1ccccc1Cn1cccn1)N1CC[C@](O)(CN2CCN(c3ccccc3)CC2)C1 585262136 CFRYWLUROPYLRP-SANMLTNESA-N 445.567 2.331 0 40 IEAB OC1(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCN(c2cccc(F)c2)CC1 585287782 RMXNEBCVJRXQRO-DEOSSOPVSA-N 448.510 2.438 0 40 IEAB COc1ccccc1S(=O)(=O)N1CCC(Oc2ncc(Br)cn2)CC1 1259298446 KDJNDMMZLBDACK-UHFFFAOYSA-N 428.308 2.480 0 40 IEAB O=c1ccc(-c2ccncc2)nn1C1CN(S(=O)(=O)c2ccccc2Br)C1 1775976630 CLWWPZXPVHLAPW-UHFFFAOYSA-N 447.314 2.313 0 40 IEAB COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1 932170 OZGSFMPJKVDQMY-UHFFFAOYSA-N 429.458 2.182 0 40 IEAB CN(CC(=O)OCC(=O)Nc1cccnc1Cl)S(=O)(=O)c1ccc(Cl)cc1 2664763 BXFUEOIUXDZTKA-UHFFFAOYSA-N 432.285 2.191 0 40 IEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3305155 WICRXWJOBXXOLK-UHFFFAOYSA-N 440.422 2.345 0 40 IEAB CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 3315312 JQMSCDBCLUAADS-UHFFFAOYSA-N 431.514 2.333 0 40 IEAB COc1ccc(-c2nc3s/c(=C\c4cccc(OC)c4OC)c(=O)n3n2)cc1OC 3637290 PJTFKFHBQXMKAD-BOPFTXTBSA-N 425.466 2.400 0 40 IEAB NC(=O)COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 3655721 VYIITDUCBABFKX-KRWDZBQOSA-N 434.433 2.258 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1cccc(-n2cnnn2)c1 8995350 GFKBGRYIRJXRIR-GOSISDBHSA-N 446.558 2.009 0 40 IEAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 11694377 OLQMRZFMTQNNKY-UHFFFAOYSA-N 432.477 2.030 0 40 IEAB O=C(Cn1nnc2ccccc2c1=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 11767619 NMQRRRBYVPWMJW-UHFFFAOYSA-N 432.509 2.445 0 40 IEAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCO2 12196738 COLCRFXROCGPHO-SFHVURJKSA-N 431.514 2.123 0 40 IEAB CCn1c(=O)n(CC(=O)N2CCCCCC2)c2c(C(N)=O)nc(-c3ccc(C)cc3)nc21 12276783 KJACREHLTXUDAI-UHFFFAOYSA-N 436.516 2.090 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cc(C(=O)O)cc(C)c1C 12507866 LQWFRHQHXYNTEA-UHFFFAOYSA-N 426.516 2.361 0 40 IEAB COC(=O)c1ccc(OC[C@@H](O)CN2CCC(C(=O)Nc3ccccc3O)CC2)cc1 12770170 XKACDEZMUSRZFF-SFHVURJKSA-N 428.485 2.269 0 40 IEAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CNC(=O)c1cccc(OC)c1 12786749 PENFWXJOEQOZBG-UHFFFAOYSA-N 428.876 2.364 0 40 IEAB COc1ccc(Cl)cc1NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 12885941 HVWAEASPELTZNO-UHFFFAOYSA-N 437.949 2.435 0 40 IEAB O=C(CSc1nnc(NCc2ccco2)s1)N1CCN(C(=O)c2ccco2)CC1 13164393 VHUJUDBMHKZHQV-UHFFFAOYSA-N 433.515 2.413 0 40 IEAB Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)S(C)(=O)=O)cc1 13844310 KHWOAEJUHIEDHT-GOSISDBHSA-N 445.541 2.309 0 40 IEAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 14023115 VUPSJHYAKJHRAP-GXTWGEPZSA-N 440.616 2.391 0 40 IEAB O=C(CN1CCCCCC1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1 16806096 UCJCFFDHOZPBBN-UHFFFAOYSA-N 438.575 2.132 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 18113312 LZWBPGAFQUBDGB-OAHLLOKOSA-N 442.468 2.153 0 40 IEAB O=C(c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3)N1CCC[C@@H](O)C1 19372405 PRJKWSPAILPVQZ-HXUWFJFHSA-N 432.524 2.052 0 40 IEAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19375996 VFSZAVCQJZKWNZ-INIZCTEOSA-N 445.523 2.105 0 40 IEAB C[C@H](CN1CCOCC1)C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19456226 NGESXXMWTNVSRW-MRXNPFEDSA-N 430.574 2.248 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC1)CNC2=O 19496202 JRJYJJIJSYACCC-WVCKHHOPSA-N 443.544 2.264 0 40 IEAB CN1C[C@@H](c2cc(N(C)C)nc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)CC1=O 19697346 ZKPYMBMLQBFCMK-KRWDZBQOSA-N 443.573 2.057 0 40 IEAB Cc1cc(NC(=O)CN2CCN(CC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)no1 22841113 GFQWDOLMHKYTJW-SFHVURJKSA-N 439.560 2.295 0 40 IEAB Cc1ccc2c(c1)C(=O)C(=O)N2CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 23846614 QOLKBDWLURUFBX-UHFFFAOYSA-N 431.489 2.018 0 40 IEAB CC(C)[C@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCCCO2 27633645 IFLXNKRZEHYJRB-QHCPKHFHSA-N 425.533 2.273 0 40 IEAB O=C(CNC(=O)c1cccc(Br)c1)NCc1ccc(Cn2cncn2)cc1 32868968 WGMTZNBJUPEELL-UHFFFAOYSA-N 428.290 2.135 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(C)c2)C(=O)N3)cc1 35445357 YGTLFCSZIDXUMK-UHFFFAOYSA-N 425.510 2.298 0 40 IEAB CN(Cc1cccnc1)C(=O)CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 58171074 YCSMIDZLGLYUGC-UHFFFAOYSA-N 425.439 2.423 0 40 IEAB COCCc1ccc(OC[C@@H](O)COC[C@@H](O)COc2ccc(CCOC)cc2)cc1 67665191 HHZVYUDYADUPTD-SZPZYZBQSA-N 434.529 2.261 0 40 IEAB in-vitro O=C(NCCO)c1sc2ccccc2c1[C@@H]1CCN(C(=O)CN2CCCCCC2=O)C1 72352254 CBVOMCODHLDLNJ-MRXNPFEDSA-N 443.569 2.342 0 40 IEAB CCc1ccc(N2C(=O)C[C@H](N(O)[C@@H]3CC(=O)N(c4ccc(CC)cc4)C3=O)C2=O)cc1 101028338 ABMKAEDAQORVDR-BGYRXZFFSA-N 435.480 2.467 0 40 IEAB COc1ccc(CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 105548038 JAZJNHQFZYYYHI-CAMMJAKZSA-N 436.574 2.200 0 40 IEAB CN(c1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1)S(C)(=O)=O 222496125 LZDDHDIBZNDHMV-UHFFFAOYSA-N 445.950 2.384 0 40 IEAB O=C(NCC(F)(F)F)c1cc(C2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)n[nH]1 225564481 ABSLQTWBGOQQKF-UHFFFAOYSA-N 438.406 2.379 0 40 IEAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3ccsc3)C[C@H]2N1Cc1ccccn1 306130739 JOHGAYLQFUWRTM-QZTJIDSGSA-N 428.539 2.374 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408670904 XQORLHQAJKEZCE-BTDZUBADSA-N 436.386 2.383 0 40 IEAB NC(=O)CSC1=Nc2ccccc2C2=N[C@H](CCC(=O)NCc3cccs3)C(=O)N12 2967489 USJKKYQKLGPPLI-OAHLLOKOSA-N 441.538 2.022 0 40 IEAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3c2c(=O)n(C)c(=O)n3Cc2ccccc2)c(C)c1 3328120 AEDXVPXJKMDVEH-QGZVFWFLSA-N 432.480 2.277 0 40 IEAB CN1CCC(N(C)CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 6379314 SPKNCMSPYYWKJA-UHFFFAOYSA-N 428.986 2.089 0 40 IEAB CCCCN1C[C@@H](C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1=O 8271141 IPHUYRGLCHBQEG-HNNXBMFYSA-N 425.551 2.313 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCOc2ccccc2)c1 9031539 KDYAWLJYGCMHIO-GOSISDBHSA-N 434.514 2.052 0 40 IEAB Cc1ccc(NC(=O)CSc2nc(C(C)C)nc3c2c(=O)n(C)c(=O)n3C)c(C)c1 9382352 MCMOMUOWJPLPOG-UHFFFAOYSA-N 427.530 2.498 0 40 IEAB COC[C@H](C)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1=O 9426560 ASWAUTKFGGEBME-IRXDYDNUSA-N 437.562 2.073 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 9427812 HSIQQUGHKMADQR-UHFFFAOYSA-N 442.453 2.492 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)c2cn(C)cc3c(=O)n(-c4ccccc4)nc2-3)n1 9661369 STOOLCMSVBHWEE-UHFFFAOYSA-N 437.481 2.490 0 40 IEAB CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9662118 YKPIBNYSFGARLT-INIZCTEOSA-N 446.554 2.324 0 40 IEAB O=C1CN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)C2(CCCCC2)C(=O)N1 9883530 SHVOCYVQKJRCSN-UHFFFAOYSA-N 439.541 2.425 0 40 IEAB COc1ccc(CNC(=O)CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 12893178 ALKURESWSYIDIL-UHFFFAOYSA-N 427.501 2.487 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2cccc(C)c2C)cc1 13669867 ICJAOLOLARVOHU-UHFFFAOYSA-N 429.542 2.108 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)cc1 14242923 MJUFNTWJSNZMJR-HLLBOEOZSA-N 438.546 2.279 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)c1 16208405 FZYQAJPGDQQXLC-GOSISDBHSA-N 448.472 2.112 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(S[C@H](C(=O)NC3CC3)c3ccccc3)nc2)CC1 17934796 OCAXBYYUXVOGOR-FQEVSTJZSA-N 446.598 2.130 0 40 IEAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1 17982063 YRTMHMQOAAGHEU-JOCHJYFZSA-N 436.464 2.093 0 40 IEAB CC(=O)N1CCC(C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3cccc(F)c3)c2N)CC1 19016740 LQWSDMQHLQAJNL-LJQANCHMSA-N 427.480 2.026 0 40 IEAB C[C@@H](CN1CCOCC1)C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1 19456312 TUZGCIFEZJPUCT-INIZCTEOSA-N 426.546 2.153 0 40 IEAB COc1ccc(CNC(=O)CN2C(=O)N3CCN=C3c3cnn(-c4ccccc4)c32)cc1 19555741 UELCVVCTUCXWOX-UHFFFAOYSA-N 430.468 2.200 0 40 IEAB CC[C@H]1CCCCN1CC(=O)N1CCc2nc(N)c(C(=O)NCc3ccccn3)cc2C1 19701060 DMDNNLHHQRCVAP-IBGZPJMESA-N 436.560 2.138 0 40 IEAB Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)N2 20635775 SXANLRVBZZCWJF-GFCCVEGCSA-N 437.287 2.267 0 40 IEAB COc1ccc(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1Br 21005493 XSSNFCNOUNMRPH-UHFFFAOYSA-N 432.226 2.480 0 40 IEAB CC(C)NC(=O)NC(=O)[C@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1 24976531 IUBWMGAYWZPBAM-JTQLQIEISA-N 434.909 2.477 0 40 IEAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1nc(-c2cccnc2)no1 32876105 QTDMVLXHSNNCIC-CQSZACIVSA-N 446.558 2.316 0 40 IEAB CC(C)CCC[C@@H](C)NC(=O)CSc1nnc(CCC(N)=O)n1C[C@H]1CCCO1 36692617 YCAKFVJTQDOKNW-HZPDHXFCSA-N 425.599 2.298 0 40 IEAB COC(=O)CCNC(=O)c1ccc(NC(=O)N2CCN(c3ccccc3O)CC2)cc1 40104515 LFKFXLKRUSJBHX-UHFFFAOYSA-N 426.473 2.039 0 40 IEAB COc1cccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)c1 67235352 WYACMKJTEOHWRW-UHFFFAOYSA-N 432.480 2.031 0 40 IEAB CCn1nc(C)c(NC(=O)CN2C(=O)N3CCN=C3c3cnn(-c4ccccc4)c32)c1C 72347697 YRDQSDLDPWWIKX-UHFFFAOYSA-N 432.488 2.346 0 40 IEAB O=C(NCCc1nccs1)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95472063 OVWHHFCRNYESKM-SNVBAGLBSA-N 434.319 2.494 0 40 IEAB O=S1(=O)c2ccccc2[C@@]2(CCN(S(=O)(=O)C3CC3)C2)N1Cc1ccc(F)cc1 96143148 UCXDUYNPFRXMBG-FQEVSTJZSA-N 436.530 2.423 0 40 IEAB Cc1ccc2[nH]c(CCC(=O)N3C[C@@H](O)[C@H](n4ccc5cc(C(N)=O)ccc54)C3)nc2c1 257276122 NSLDUEPSJWAPNR-NHCUHLMSSA-N 431.496 2.302 0 40 IEAB CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCOC[C@@H](Cc2ccc3nccn3c2)C1 257318709 VPAQTQBNVZEUBE-NRFANRHFSA-N 434.540 2.489 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@@H](c2cccc(Nc3ccc(F)cn3)n2)C1 257336790 YQAXYHSERFJLFJ-MRXNPFEDSA-N 432.481 2.461 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1 408657907 PWZJKCSZKOPVNB-CYBMUJFWSA-N 445.859 2.024 0 40 IEAB C[C@]1(c2ccc(-c3noc([C@@H]4CCN(c5ccc(F)cc5)C4=O)n3)cc2)NC(=O)NC1=O 544913594 IFAGPLZUFHMSEL-KSFYIVLOSA-N 435.415 2.451 0 40 IEAB O=C(c1cccc2ccccc12)N1CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1 1117327470 BBSVVFVALPSSPD-FQEVSTJZSA-N 426.538 2.339 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)NC2COC2)C12CCN(C(=O)C1CCC1)CC2 1549174606 LZURQXJDGYXZKZ-NRFANRHFSA-N 439.556 2.311 0 40 IEAB FC(F)(F)c1ccc(N2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)nn1 1888910715 XPNVUDJDLRMACD-ZDUSSCGKSA-N 434.426 2.141 0 40 IEAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5ccc(C)cc5)C[C@H]4C3)ncnc21 1888930618 KCLHUYKWLWVFRX-HDICACEKSA-N 426.546 2.053 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(S(=O)(=O)Cc5ccccc5Cl)C[C@H]4C3)nn12 1888941716 OCGXSWBUNWFLAB-IYBDPMFKSA-N 446.964 2.238 0 40 IEAB COCCn1c(C)cn2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc12 6444624 MUDXDBRKGHFVTR-UHFFFAOYSA-N 436.299 2.459 0 40 IEAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)o1 9054342 FUDZDUUHHZLEJV-UHFFFAOYSA-N 433.255 2.454 0 40 IEAB CC(C)C[C@H](C(=O)OCC(=O)N1CC(=O)Nc2ccccc21)N1C(=O)c2ccccc2C1=O 9128340 UYSCENNHHXZBKN-LJQANCHMSA-N 449.463 2.226 0 40 IEAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1OCc1ccc(F)cc1 9491833 KXUDKHYTBBEXND-GOSISDBHSA-N 448.516 2.170 0 40 IEAB CC(=O)Nc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ncccc32)c1 9660563 CIYFCPZTQPXQRH-UHFFFAOYSA-N 443.463 2.204 0 40 IEAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCCC2)cc1 9750915 YRXAEJHNSBJAJV-UHFFFAOYSA-N 445.541 2.263 0 40 IEAB CCOc1ccccc1N1CCN(Cc2ccc(C(=O)NC[C@H]3CCCO3)c(=O)[nH]2)CC1 12150369 LYEAOMCJDMRMKT-LJQANCHMSA-N 440.544 2.005 0 40 IEAB Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1 12686182 STTAWXNQBRGMOW-UHFFFAOYSA-N 427.577 2.416 0 40 IEAB Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1F 12780372 IKPJIZIGCSSRLV-UHFFFAOYSA-N 445.969 2.472 0 40 IEAB CCSc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1 15301332 JCURDCLBKIEKJN-UHFFFAOYSA-N 428.561 2.232 0 40 IEAB CNc1nnc(SCC(=O)Nc2c(Cl)cc(S(N)(=O)=O)cc2Cl)s1 17979686 ZPKMRBYCUNLQHZ-UHFFFAOYSA-N 428.348 2.265 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)CSCc2ccccc2C)c(=O)[nH]c1=O 19013514 AHWIXRQUSXGUPJ-UHFFFAOYSA-N 434.562 2.140 0 40 IEAB O=C(C1CCC1)N1CCC[C@@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699852 IIYDCDOSWLZRCF-OAQYLSRUSA-N 438.572 2.407 0 40 IEAB CN1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)c3c4c(nn3C)CCCC4)nc2)CC1 19708502 BCVKSWJTNBATND-OAQYLSRUSA-N 436.560 2.059 0 40 IEAB COC(=O)c1ccc(OC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 21587015 SCUCDYNRKYYSGI-MRXNPFEDSA-N 433.482 2.488 0 40 IEAB CCN1CCN(C(=O)[C@H](C)Sc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CC1 21738233 VASHLQLHEGDJHH-ZDUSSCGKSA-N 436.534 2.407 0 40 IEAB CCOc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCN(C(C)=O)CC2)cc1OC 22627518 AKANXOFRHVNPGA-GOSISDBHSA-N 445.545 2.466 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 23075690 FRQUHZQGNMUDEI-UHFFFAOYSA-N 438.488 2.476 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)CC1 24461762 DOUMTFNATDVOFH-UHFFFAOYSA-N 439.559 2.275 0 40 IEAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 26661644 AHLKPTRKYFFACH-HNNXBMFYSA-N 429.498 2.101 0 40 IEAB Cn1ncc(C(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1-n1cccc1 27143674 NLDSVTACPAXLEZ-UHFFFAOYSA-N 435.484 2.245 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCSCc2c(F)cccc2Cl)C1 30869252 VGORROWFAFVWHO-ZDUSSCGKSA-N 437.990 2.347 0 40 IEAB Cc1ccc(C2=NC3(CCN(CC(=O)Nc4ccc5c(c4)OCCO5)CC3)NC2=O)cc1C 35430836 CHPPMYOHXXLHJO-UHFFFAOYSA-N 448.523 2.424 0 40 IEAB biogenic COc1ccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c(=O)cc2OC)cc1OC 49407610 IHDLXDPQYSTPQM-UHFFFAOYSA-N 425.397 2.239 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)Cc1c[nH]c3ncccc13)n2CCC 79094353 VTHVJQFEPSQTKK-UHFFFAOYSA-N 438.488 2.259 0 40 IEAB CC(C)CCN1Cc2c(C(=O)N3CC[C@@H](N(C)C)C3)ncn2-c2ccccc2S1(=O)=O 96147518 XIZGTPKCINPFMJ-QGZVFWFLSA-N 445.589 2.199 0 40 IEAB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224800837 CUHLEEGIYYLPCU-UHFFFAOYSA-N 439.486 2.479 0 40 IEAB CC1(C)NC(=O)N(CC(=O)N2CCO[C@@H](c3cccc(-c4c(F)cccc4F)n3)C2)C1=O 257204771 AWFIVWHUGLKTPW-QGZVFWFLSA-N 444.438 2.257 0 40 IEAB CCOc1cc(NC2CCN(C(=O)NCc3cnn(CC(F)(F)F)c3)CC2)ncn1 546641147 NGBVHPQZYQIXGD-UHFFFAOYSA-N 427.431 2.420 0 40 IEAB CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 2438625 SGTIONNAGRYVCE-UHFFFAOYSA-N 437.572 2.329 0 40 IEAB O=C(C[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2ccccc2F)CC1 2968791 DIPOCPBPIMLASD-KRWDZBQOSA-N 437.500 2.232 0 40 IEAB O=C(N[C@]1(C(F)(F)F)C(=O)O[C@H]2CCC[C@@H]21)NS(=O)(=O)c1ccccc1Cl 4127205 XBANLHASJIBGNH-BXGCZWRVSA-N 426.800 2.355 0 40 IEAB COC(=O)c1cn([C@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccc(C(C)(C)C)cc4)CO[C@@H]32)nn1 4260871 CRJJLUOQYWONKR-BSDSXHPESA-N 430.461 2.318 0 40 IEAB biogenic,in-vitro CO[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O 4721307 WYAMNJUPQNEGOI-ZLFMQQKDSA-N 436.504 2.449 0 40 IEAB biogenic,in-vitro CCC[C@@H](C(=O)NCCC(C)C)N(CCCOCC)C(=O)c1snc(C(N)=O)c1N 6501144 YCVGYLGUEQDLKX-AWEZNQCLSA-N 441.598 2.024 0 40 IEAB CC[C@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6632173 FGHQAUCJMSFTGH-CYBMUJFWSA-N 433.534 2.173 0 40 IEAB CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 8719440 FNRUSCNALSNFNT-NSHDSACASA-N 440.157 2.453 0 40 IEAB O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)N1CCN(c2ncccn2)CC1 8824796 AVXWALOIJFEYRE-UHFFFAOYSA-N 449.964 2.267 0 40 IEAB CC(=O)C1=NO[C@H](CN(N(C)c2ncc(C(F)(F)F)cc2Cl)S(C)(=O)=O)C1 8857034 MBHFRCWRDMDANJ-JTQLQIEISA-N 428.820 2.101 0 40 IEAB CCOC(=O)C1CCN(C(=O)C(=O)c2cn(CC(=O)N(CC)CC)c3ccccc23)CC1 9518815 FHFVELYNJAPSFF-UHFFFAOYSA-N 441.528 2.494 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 9590502 GDAWKVHQDRGVKV-UHFFFAOYSA-N 448.566 2.073 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)Nn3cnc4c(cnn4-c4ccccc4)c3=O)CC2=O)cc1 10251345 IRPDLFVKVNXAGC-INIZCTEOSA-N 428.452 2.014 0 40 IEAB CC(=O)CN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C 10369237 NFVUOTWXOGULIU-LBPRGKRZSA-N 446.870 2.083 0 40 IEAB COC(=O)Cc1csc(NC(=O)Cc2c(C)c3c(OC)cc(OC)cc3oc2=O)n1 12296756 XRKVRRICPCSQHG-UHFFFAOYSA-N 432.454 2.472 0 40 IEAB biogenic COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4cccnc4)nn3)CC2)cc1F 12443487 GVWQNVFBDOFSJS-UHFFFAOYSA-N 429.477 2.197 0 40 IEAB CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@H](C(N)=O)Oc2ccccc21 12765090 IFSPUNDMMMRSKL-OAHLLOKOSA-N 441.303 2.289 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1C 12778263 KNKRKUUEUCXSTR-JOCHJYFZSA-N 425.441 2.299 0 40 IEAB O=C(CCNC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)Nc1ccc2c(c1)OCO2 13683217 MRPIOFJXHSQNOR-YCRPNKLZSA-N 425.466 2.130 0 40 IEAB COc1cc(C)c(C)cc1S(=O)(=O)N(C)Cc1nc([C@@H]2CCCNC2)cc(N(C)C)n1 19710039 RGKAHPMPWYEHTM-QGZVFWFLSA-N 447.605 2.456 0 40 IEAB CNc1nc([C@H]2CCCN(CC(=O)Nc3ccccc3F)C2)nc2c1CN(C(C)=O)CC2 19710461 IHFCOTQINROICM-INIZCTEOSA-N 440.523 2.380 0 40 IEAB Cc1nc2cc(C(=O)N3CCC[C@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)ccc2[nH]1 19755752 VTKDSTFGBHYMNS-FQEVSTJZSA-N 434.500 2.419 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2CC)CC1 20605368 BYFAOJLYLCGUAP-UHFFFAOYSA-N 443.529 2.291 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)NCC3(N4CCN(C)CC4)CCCCC3)CC2=O)c1 20676900 LSPOKJHCYXAFEZ-IBGZPJMESA-N 428.577 2.115 0 40 IEAB CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(c3nc4ccccc4[nH]c3=O)CC2)CC1 22581001 JYPKDIFNAYQGJU-UHFFFAOYSA-N 441.532 2.219 0 40 IEAB C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2)CCN1S(=O)(=O)Cc1ccc(F)cc1 25372211 KQRVWOKMFFMAOU-HNNXBMFYSA-N 444.525 2.331 0 40 IEAB COc1ccc(OC)c(C(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)c1 25538678 QNFHUGUONBODOG-JOCHJYFZSA-N 426.425 2.168 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)cc1 27988643 ZGERGERITIBCHD-UHFFFAOYSA-N 437.271 2.133 0 40 IEAB COc1cccc([C@@H]2CCN(CC(=O)NCCc3ccc(OC)c(OC)c3)C[C@@H]2O)c1 57718590 HNIWTUPMNMQCFA-SFTDATJTSA-N 428.529 2.222 0 40 IEAB CON(C)S(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)ccc1Cl 59019668 IMDDWQHPNYCHTP-UHFFFAOYSA-N 439.799 2.481 0 40 IEAB C[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)n1nc(-n2cccn2)ccc1=O 70874101 HEVIJWBVIYZSMH-OAHLLOKOSA-N 446.433 2.358 0 40 IEAB CCC[C@H](NC(=O)[C@@H](C)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccccc1 78480238 GOJJHIYSDNVTBZ-GCJKJVERSA-N 442.604 2.468 0 40 IEAB COc1ccc(C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)cc1OC 96024214 CRCUVRWFNHARJZ-UHFFFAOYSA-N 436.512 2.440 0 40 IEAB CC(C)CCN1Cc2c(C(=O)N(C)CCN(C)C)ncn2-c2ccccc2S1(=O)=O 96147519 NQTUDNCLBMVGHI-UHFFFAOYSA-N 433.578 2.056 0 40 IEAB COc1ccc(CC(=O)N2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)cc1 96263293 IQMYBRPEVAZDLW-UHFFFAOYSA-N 434.544 2.298 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]21)NC12CC3CC(CC(C3)C1)C2 102982091 RSKHFIQGQRMHLL-LKTSBXNISA-N 425.464 2.204 0 40 IEAB CCc1ccc2c(c1)[C@@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 105348032 ZUBIIHQUYPUKHA-RJPVGMBJSA-N 425.529 2.073 0 40 IEAB CN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCN(S(C)(=O)=O)c2ccccc2O1 222750243 KSVVZEUGWLCSLO-HNNXBMFYSA-N 448.526 2.374 0 40 IEAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C)CC1 408586837 CBYJMUYYZAUFLC-UHFFFAOYSA-N 443.569 2.289 0 40 IEAB Cc1cc(=O)c(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)nn1-c1ccccc1C(F)(F)F 533113922 HHVBKVQERRETLY-GFCCVEGCSA-N 433.394 2.093 0 40 IEAB Cc1c(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cnn1-c1ccc(O)nn1 588648546 QHAJHRSUJFIUCF-UHFFFAOYSA-N 431.412 2.215 0 40 IEAB COCc1nnc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)s1 604418907 UADMVHYBIJWBJG-SFHVURJKSA-N 435.465 2.438 0 40 IEAB CCC(=O)N(c1nnc(SCCOc2ccc(S(N)(=O)=O)cc2)s1)C1CC1 9461270 QTNHNNCWNSRBPY-UHFFFAOYSA-N 428.561 2.262 0 40 IEAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccccc1CN1CCCC1 9666822 MDNAIJVYERZHPL-INIZCTEOSA-N 426.542 2.026 0 40 IEAB Cn1c(=O)c2c(nc3n2CC(c2ccc(F)cc2)=NN3CCc2ccccc2)n(C)c1=O 9707558 PUAFTIVRQIYONM-UHFFFAOYSA-N 432.459 2.040 0 40 IEAB O=C(NCCc1ccccc1)C(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 9747017 XDOFQSPGSBVJSH-SFHVURJKSA-N 449.598 2.157 0 40 IEAB O=C(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)NC(=O)NCc1ccco1 9956193 RDWYQNQWCFJJJI-XMMPIXPASA-N 446.463 2.295 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)CC1 10961005 HEIBVZPCLRUGNO-LBPRGKRZSA-N 435.502 2.298 0 40 IEAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)no1 12028797 RDGXXJLFVKNDEQ-SFHVURJKSA-N 440.481 2.006 0 40 IEAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(N2CCCS2(=O)=O)cc1 12263273 LREICFGWRVZBMP-UHFFFAOYSA-N 426.498 2.424 0 40 IEAB O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1 12597411 LGKMKEKCHMRYMN-UHFFFAOYSA-N 443.529 2.472 0 40 IEAB CC1=NN(C(=O)CCCCC(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)[C@@](O)(C(F)(F)F)C1 12624187 QLGANAMEXRXKCO-OKILXGFUSA-N 446.348 2.265 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5c(c4)OCO5)C[C@]34C=C[C@H]2O4)cc1 12895535 RWGPKGVITQZWFM-BBNRHVKASA-N 448.475 2.069 0 40 IEAB biogenic C[C@@H](Sc1nc2cc(C(=O)O)ccc2c(=O)n1C)C(=O)NC(=O)NCc1ccccc1 13019229 RDLNQIVOAWYRBQ-GFCCVEGCSA-N 440.481 2.138 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc4c(c3)OCO4)C2)cc1OC 13566430 MZDQNNVZMLLMCM-CQSZACIVSA-N 448.497 2.472 0 40 IEAB CC[C@@]1(C)NC(=O)N(NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)C1=O 14117590 HKSAQBTVAUZZAZ-OAQYLSRUSA-N 439.497 2.185 0 40 IEAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1=O 14162874 HZWOAMNQXWDRMM-HSZRJFAPSA-N 438.484 2.193 0 40 IEAB Cc1ccc(NC(=O)NC(=O)COC(=O)c2sc3ncn(C)c(=O)c3c2C)c(C)c1 15517167 LZXWFLPWSVFYNS-UHFFFAOYSA-N 428.470 2.425 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C(C)C)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1 15957782 IQCOJZDMHYTKKF-CMCWBKRRSA-N 433.464 2.193 0 40 IEAB biogenic CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1 15987033 SXAWMYQDSKGJHW-BQJUDKOJSA-N 447.422 2.348 0 40 IEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1 17171334 UOZSKDNVEHNDJZ-UHFFFAOYSA-N 431.558 2.354 0 40 IEAB CN(C)c1ncc(-c2ccccc2F)c([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 19694015 TWSGNHVUIZHHBX-QGZVFWFLSA-N 427.524 2.387 0 40 IEAB Cc1nc([C@@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2Cc1ccccc1 19740358 RVHNXNUPZUZIHH-SFHVURJKSA-N 429.546 2.208 0 40 IEAB COc1ccc(C2(C(=O)N3CCC[C@@H](c4ncc(C(N)=O)c(C)n4)C3)CCOCC2)cc1 19763717 QTADRLCYYIVOII-QGZVFWFLSA-N 438.528 2.347 0 40 IEAB COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccccc1 19818042 LNZNCYCIMHBZSR-MOPGFXCFSA-N 426.904 2.478 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3F)CC2)N[C@H]1c1ccc(F)cc1 20674821 YCFYSUODLCAMTQ-UXHICEINSA-N 442.466 2.493 0 40 IEAB CCNS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3c4c(sc3n2)CCCC4)c1 22357437 PVVAOZISKNPHCV-UHFFFAOYSA-N 447.538 2.290 0 40 IEAB COc1cc([C@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)cc(OC)c1OC 22784298 OPPMPUKWUNMSQB-MRXNPFEDSA-N 433.534 2.167 0 40 IEAB CCc1ccccc1NC(=O)CN1CCN(CN2C(=O)NC3(CCCCC3)C2=O)CC1 22785801 UMVQPWMXPMBNKR-UHFFFAOYSA-N 427.549 2.017 0 40 IEAB Cc1cc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)ccc1F 22798297 AEDUCCFLJCQEBR-LJQANCHMSA-N 435.521 2.130 0 40 IEAB CCOC(=O)N1CCN(C(=O)Cc2c(C)nc(SCc3ccccc3F)[nH]c2=O)CC1 23138631 YZEDDNOXJAAWDK-UHFFFAOYSA-N 448.520 2.353 0 40 IEAB O=S(=O)(N1CCCCCC1)N1CCN(Cn2c(C(F)(F)F)ccnc2=S)CC1 24974358 AVHFFZPSBHLCON-UHFFFAOYSA-N 439.529 2.327 0 40 IEAB COCCNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2cccc(C)n2)c1 24987662 WCFNFSSSKVTZNB-UHFFFAOYSA-N 428.308 2.330 0 40 IEAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C1 31772949 YVQNGIAIQUSKDD-INIZCTEOSA-N 449.959 2.102 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)NCCOc3cccc(C)c3)n2N)c(OC)c1 32719459 OGGWJCLMFHHUJM-UHFFFAOYSA-N 443.529 2.272 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NC[C@H]2COc3ccccc3O2)cc1 32862788 NMYBCNSWNOKUKR-SFHVURJKSA-N 433.530 2.154 0 40 IEAB CN(C)C(=O)c1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 39640542 DGFAUXMCLGSBJN-UHFFFAOYSA-N 441.528 2.203 0 40 IEAB COc1ccc(Cl)cc1NC(=O)Cn1cccc(S(=O)(=O)N2CCCCC2)c1=O 49409064 NKJVWLSAZKSCQS-UHFFFAOYSA-N 439.921 2.324 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccc3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 57414597 MTOLFLRLXJNOFD-JOCHJYFZSA-N 436.512 2.298 0 40 IEAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NCCC(=O)Nc1ccncc1 58216592 BUWKIDJXSADLDP-UHFFFAOYSA-N 425.514 2.267 0 40 IEAB COc1cccc(CN2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccccc4C(=O)N3)C2)c1OC 72334357 RDJUGGCTFBSBKX-NLFFAJNJSA-N 437.540 2.339 0 40 IEAB O=C(c1nonc1O)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352346 XOPQMJMKANMWRT-GFCCVEGCSA-N 428.470 2.092 0 40 IEAB Cc1nnc(N2C[C@@H]3CN(C(=O)NC4CCCCC4)CCC[C@]3(C(=O)NCC3CC3)C2)o1 96251456 PUTBUXRLPVGEOL-MBSDFSHPSA-N 444.580 2.465 0 40 IEAB CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NCc3cccs3)cn12 96268037 RCQKMWUJVCWYEM-QGZVFWFLSA-N 434.529 2.004 0 40 IEAB O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)NC[C@@H]1COc2ccccc2O1 96908290 BZGGPSBTGKAZLJ-QGZVFWFLSA-N 438.553 2.370 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1Cl 100033092 PGIKYWJVLCQYQP-IRXDYDNUSA-N 431.811 2.420 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cnn(C[C@@H]3COc4ccccc4O3)c2)cc1 207999209 MCHKPNUXLMNMGX-QGZVFWFLSA-N 442.497 2.226 0 40 IEAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222819600 ARQGXZUNBSOPEJ-OAHLLOKOSA-N 431.986 2.111 0 40 IEAB O=C1CCc2cc(S(=O)(=O)NCC3CCN([C@H]4CCSC4)CC3)cc3c2N1CC3 225574381 IVMJUFQXILFQCY-SFHVURJKSA-N 435.615 2.018 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ncn[nH]2)C2CCCCC2)cc1 226000229 OHSXRMGADOGLKC-UHFFFAOYSA-N 437.591 2.345 0 40 IEAB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408662813 PPVIJDUFZGQBTG-BMEPFDOTSA-N 449.301 2.270 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1COCCN1C(=O)NCCc1nnc2n1CCC2 508337818 CZJWLFBKTNERRT-FQEVSTJZSA-N 449.559 2.412 0 40 IEAB C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O)N1C(=O)NC2(CCCC2)C1=O 521927652 PXMJSLRGEPTEOK-XJKSGUPXSA-N 432.908 2.157 0 40 IEAB CC(C)n1nccc1NC(=O)CCCN1C(=O)[C@@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524733545 VJSBDWVQCXMHNC-LERMDLETSA-N 439.516 2.409 0 40 IEAB O=S1(=O)CC[C@@H](CNC(=S)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)C1 575420220 ARJUBRXUAVWBSG-NSHDSACASA-N 425.557 2.302 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C)CC2)C12CN(C(=O)C(C)(C)C)C2 1549174742 PYVQSZGIGXCRET-FQEVSTJZSA-N 440.588 2.036 0 40 IEAB Cn1cc(-c2ccc3c(c2)NC(=O)CN2CCN(C(=O)CC(C)(C)C)C[C@H]2CO3)cn1 1772594758 WFRZZTQOKILLAW-SFHVURJKSA-N 425.533 2.367 0 40 IEAB COCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 8816428 JRDNGOJTTGXBJO-OAHLLOKOSA-N 449.504 2.132 0 40 IEAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1COc2ccccc2O1 8896236 JNXJTOZGCCOKKL-HXUWFJFHSA-N 429.432 2.353 0 40 IEAB C[C@H]1CN(C(=O)COC(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)C[C@H](C)O1 9493589 GCZKHSQTFNHBLM-HOTGVXAUSA-N 436.464 2.275 0 40 IEAB COCCn1c(CCC(=O)Nc2cccc(C)c2C)nc2c1c(=O)[nH]c(=O)n2CC(C)C 9508040 MUJKUTXVYWDGEF-UHFFFAOYSA-N 441.532 2.377 0 40 IEAB CCCCc1nc(SCC(=O)c2ccc(OC)cc2)c2c(=O)n(C)c(=O)n(C)c2n1 9517436 RDOYXQPJRBOFGA-UHFFFAOYSA-N 428.514 2.353 0 40 IEAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1ccc(Cl)cc1 9547953 UXNDJPJQFSQHBL-OAHLLOKOSA-N 435.933 2.496 0 40 IEAB COc1ccc2c(COC(=O)CCNS(=O)(=O)c3ccc(F)cc3)cc(=O)oc2c1 9639134 WLTFQXBEUFAXJZ-UHFFFAOYSA-N 435.429 2.353 0 40 IEAB COC(=O)c1cc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc(C(=O)OC)c1 10324691 AGXXENYKAXVIAF-GFCCVEGCSA-N 446.481 2.223 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 10640715 CCKPCVVXANUXOB-FQEVSTJZSA-N 448.585 2.378 0 40 IEAB CCc1cc(CC)n(-c2nc3c(c(=O)n(CC)c(=O)n3C)n2Cc2ccc(OC)cc2)n1 11613337 IZBSLTSHGLOQDL-UHFFFAOYSA-N 436.516 2.284 0 40 IEAB O=C(c1cn2cc(Cl)ccc2n1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12323821 BYXQVWXSWNARSG-GOSISDBHSA-N 426.860 2.112 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)NCCCN(C)c3ccccc3)n2N)cc1 12521711 RSMYVCQBHAESCO-UHFFFAOYSA-N 426.546 2.402 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCC[C@H]1c1cccn1C 12818155 DQEZKZAMJUPRAE-NRFANRHFSA-N 430.574 2.392 0 40 IEAB CCn1cc(C(=O)N[C@@H](CCSC)C(=O)NC(C)C)c(=O)c2cc3c(cc21)OCO3 13609395 SUYCCQFIZNFJFR-HNNXBMFYSA-N 433.530 2.126 0 40 IEAB Cc1cc(=O)[nH]c(S[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2)n1 13844223 OKZLGLNLHHBNOV-KRWDZBQOSA-N 430.511 2.198 0 40 IEAB CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)CC1 16643493 IUQBUWWPTOWTIK-UHFFFAOYSA-N 449.960 2.465 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 17170056 MUOTZAZGUQAYSW-INIZCTEOSA-N 426.510 2.028 0 40 IEAB COc1cc(C(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc2c1OCCO2 19361157 UZHPRKYFOULUHH-UHFFFAOYSA-N 442.468 2.337 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3ccc(C)nc3)CC1)C2=O 19700672 GQDJVNILAALXJR-UHFFFAOYSA-N 427.549 2.039 0 40 IEAB Cc1noc(CCC(=O)N2CCC[C@@H](c3ncc(C(=O)N4CCCCC4)c(C)n3)C2)n1 19763339 UKUPKFNOTYJXAC-QGZVFWFLSA-N 426.521 2.441 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)NCCc3ccccc3OC)n2N)c(OC)c1 24174000 RGPWQDNCGHYKRX-UHFFFAOYSA-N 443.529 2.136 0 40 IEAB Cc1ccc([C@@H](CNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)N2CCOCC2)o1 25399462 VKGPZFVEVHUKQJ-PKOBYXMFSA-N 427.501 2.282 0 40 IEAB C[C@@H]1c2cccn2CCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 29380665 FAPHYEDOGHADNO-OAHLLOKOSA-N 429.546 2.161 0 40 IEAB O=C(Nc1ccncc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 32726978 RUOAPDPGQBTYRM-UHFFFAOYSA-N 426.292 2.117 0 40 IEAB O=C(Nc1ccc(CC(=O)N2CCC(O)CC2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 44036976 JGEDPRGEYHUERV-QGZVFWFLSA-N 439.487 2.343 0 40 IEAB CS(=O)(=O)N1CCN(CCNC(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1 48264985 ASXJRGHAOQSWMB-HXUWFJFHSA-N 433.599 2.213 0 40 IEAB COC(=O)CN(Cc1ccccc1Cl)C(=O)c1nc(N2CCOCC2)ncc1Cl 58009371 BGORTDMJHWJHPW-UHFFFAOYSA-N 439.299 2.435 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 58156718 TXEQHEJGVJSWGZ-KRWDZBQOSA-N 449.548 2.239 0 40 IEAB CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@H](c1nc(-c3cccnc3)no1)C(C)C)C2=O 65624670 ZGBKPGALAHIWBF-QQHGCPPCSA-N 440.504 2.446 0 40 IEAB COc1cccc(CNC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)c1OC 67235184 OKBMQKLEHIBUMI-UHFFFAOYSA-N 433.468 2.200 0 40 IEAB O=C(O)[C@H]1[C@H](C(=O)NCc2ccccc2)[C@H]2O[C@H]1C(Br)=C2Br 100352251 DEWFVKCHJHZNRI-RBJBARPLSA-N 431.080 2.402 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102817929 IBVMBBMYHBTRJM-CAFLLTJSSA-N 432.517 2.306 0 40 IEAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C(C)=O)cc3)CC2=O)c1 139008771 TWJBHVXKBLOXBX-MRXNPFEDSA-N 440.452 2.441 0 40 IEAB C[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 223875743 XBCYTMOOYYSCHA-MRXNPFEDSA-N 438.571 2.368 0 40 IEAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 224826221 DHCOKEPEMCWOQA-UHFFFAOYSA-N 435.454 2.003 0 40 IEAB COc1ccc(C(=O)NS(=O)(=O)c2cccc(Cl)c2C)cc1S(=O)(=O)N(C)C 257221950 DRGQPEQTQAWQGK-UHFFFAOYSA-N 446.934 2.026 0 40 IEAB O=S1(=O)CC[C@@H](N(C[C@H]2CCCO2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575422252 APDHSYWXTMNCCZ-VXGBXAGGSA-N 428.359 2.350 0 40 IEAB CNC(=O)C12CCCCN(C(=O)CCOC)CCOc3ccccc3C(=O)N(CC1)CC2 643574297 OERAHEKAMSBFJJ-UHFFFAOYSA-N 445.560 2.083 0 40 IEAB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1ccccc1 687550 PTWIVOVJZXDDOB-UHFFFAOYSA-N 425.470 2.205 0 40 IEAB CCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nnc1-c1ccccc1 2622084 ITAQDFAMGKTDKB-UHFFFAOYSA-N 442.545 2.039 0 40 IEAB CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)NC[C@@H]2CCCO2)nc1 7225038 BXGPGVYMZXKELQ-INIZCTEOSA-N 427.592 2.422 0 40 IEAB CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCC(O)CC2)s1 8912390 GRCOAJMYJIIRLX-UHFFFAOYSA-N 430.573 2.039 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 9190896 JAIQEHCAYUCJON-AWEZNQCLSA-N 449.916 2.465 0 40 IEAB COc1ccc(OC)c(C(c2c(O)cc(C)n(C)c2=O)c2c(O)cc(C)n(C)c2=O)c1 9304891 FWTWUPJAFLYJRW-UHFFFAOYSA-N 426.469 2.309 0 40 IEAB COc1ccc(N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1OC 9438492 FCCJVYFZBSSILV-HNNXBMFYSA-N 449.529 2.164 0 40 IEAB C[C@@H]1CN(C(=O)COC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)C[C@@H](C)O1 9492315 NNWKKJSAXDUTQD-HZPDHXFCSA-N 438.480 2.395 0 40 IEAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 9495978 CYRQBRGZYOPUDI-VQHVLOKHSA-N 428.510 2.145 0 40 IEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 9738849 QLPSLFQYAMJDGV-UHFFFAOYSA-N 444.557 2.296 0 40 IEAB Cc1nn(C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 10142511 MDOILRRZCAIXBX-UHFFFAOYSA-N 445.372 2.419 0 40 IEAB CCOC(=O)Cn1c(=O)c2c(nc3n(-c4ccc(C)c(Cl)c4)c(C)c(C)n23)n(C)c1=O 10271896 IXPTWWRCFHGAPG-UHFFFAOYSA-N 443.891 2.280 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(SC)c4)[C@H]3C2=O)cc1 10272398 CFJXHEAUNJCDTB-QZTJIDSGSA-N 425.470 2.349 0 40 IEAB CN(Cc1ccccc1N1CCOCC1)C(=O)CNC(=O)c1ccc(Br)o1 10901225 ROZQUJZMVGMSMG-UHFFFAOYSA-N 436.306 2.267 0 40 IEAB COc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1S(=O)(=O)N(C)C 12688915 IVNYCUXMAJLOMJ-INIZCTEOSA-N 435.527 2.387 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 12808570 QCENQVWDRVHILF-UHFFFAOYSA-N 447.435 2.416 0 40 IEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 12871747 CVNIWNJLYLYPHB-CQSZACIVSA-N 445.497 2.084 0 40 IEAB CC(C)C[C@@H](C(=O)N[C@H](C)C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 12880257 XIIBSDVOMUVKRA-ZZKQDXLVSA-N 440.500 2.207 0 40 IEAB biogenic O=C([C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCCO3)c2ccccc2O1)N1CCOCC1 12995977 AWZAXEBJFMHFTO-XOPAWIAISA-N 436.464 2.124 0 40 IEAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2CCN(C(=O)c3ccccn3)CC2)c1 13021006 GEQDHPMXBYONJC-NRFANRHFSA-N 438.528 2.220 0 40 IEAB CCn1c(=O)n(CC(=O)NCCc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 13592880 SJFBYPXJVOUXGH-UHFFFAOYSA-N 441.553 2.455 0 40 IEAB O=C(COc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1)N[C@H]1CCS(=O)(=O)C1 13735566 UGOHHTXCAVJHSN-INIZCTEOSA-N 449.431 2.420 0 40 IEAB CCSc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)s1 15301331 NSYSJJBPCVEPDC-UHFFFAOYSA-N 428.561 2.232 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2ncccc21)NCc1ccc(F)cc1 17170264 DSYRAAOOEBQIBD-UHFFFAOYSA-N 436.418 2.201 0 40 IEAB CN1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2nc3ccccc3nc21 17364266 KQVVJXVZNGMRSX-UHFFFAOYSA-N 425.514 2.367 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 19702751 QYECSNSIRQYDES-AWEZNQCLSA-N 449.558 2.100 0 40 IEAB Cc1nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2CC1CCCCC1 19738844 UTQZYBYQHDRHBE-KRWDZBQOSA-N 435.594 2.240 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(OC)c(OC)c1 19818070 GSEOROMSUQVCRU-LEWJYISDSA-N 437.496 2.468 0 40 IEAB C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(N2CCOCC2)nc1 21521513 GQJYIVQJGONASC-QNHAZURESA-N 426.561 2.256 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H](C)Oc2ccccc2F)CC1 23129544 GFUGUCXIAMKAAU-HNNXBMFYSA-N 425.482 2.121 0 40 IEAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 32845646 NEQIDTNMUNAZNQ-SFHVURJKSA-N 445.516 2.449 0 40 IEAB CCN1CCN(C(=O)[C@@H](C)OC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 32858520 VUWLXIVOMRVMKO-MLGOLLRUSA-N 425.938 2.239 0 40 IEAB O=C1C[C@H](C(=O)Nc2cccc(OC(F)(F)F)c2)c2c(nc(N3CCCC3)[nH]c2=O)N1 40283919 BXOSMIUDJVPKSP-LBPRGKRZSA-N 437.378 2.333 0 40 IEAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1nnc([C@H]2CCCO2)s1 71333325 PXOBKNKIABKUEX-GDBMZVCRSA-N 430.534 2.248 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c1 72350327 OCLFGNNMINUIJB-QGZVFWFLSA-N 425.514 2.149 0 40 IEAB O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124140 RLXIFNPXOZHEHJ-CQSZACIVSA-N 433.501 2.431 0 40 IEAB COc1ccc2nc(NC(=O)CN3[C@@H]4CC[C@@H]3CC(O)(c3nccn3C)C4)sc2c1 100127997 ZDLSUAZAZCZYPX-ZIAGYGMSSA-N 427.530 2.492 0 40 IEAB C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224559063 LVKMOHORJDGCQB-KRWDZBQOSA-N 449.548 2.129 0 40 IEAB C[C@H]1C[C@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NC[C@@H]3CCCO3)n2)C1 225907757 BZXSPPXXXLKOLE-ULQDDVLXSA-N 434.610 2.261 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CN2CCC[C@](C(N)=O)(c3ccccn3)C2)c(Cl)c1 257269510 MQHMEEFGHVFPHP-OAQYLSRUSA-N 429.908 2.151 0 40 IEAB COCCn1nc([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)n(C2CC2)c1=O 585233590 HVFRUMUKYHANRA-AWEZNQCLSA-N 440.953 2.248 0 40 IEAB Cn1c(=O)c2c(nc(N3CCCCC3)n2CC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O 5226172 IUABQVDRXDPASY-UHFFFAOYSA-N 439.560 2.210 0 40 IEAB biogenic CCN(CC)CCn1c(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)nc2ccccc21 6313826 FATJGJMVWKGCES-IRXDYDNUSA-N 425.533 2.492 0 40 IEAB C[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 8631495 GUXKGWJGIOSUNN-CQSZACIVSA-N 436.917 2.482 0 40 IEAB Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)cc1 8733583 XBOQEFTYYFEUMS-AWEZNQCLSA-N 429.947 2.401 0 40 IEAB O=C(Nc1nc(-c2ccncc2)cs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9632208 PBZIPINZOIHDRM-UHFFFAOYSA-N 430.511 2.478 0 40 IEAB COc1ccccc1N1C[C@H](C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)CC1=O 9670705 IUZJFIHMDOCPGG-CQSZACIVSA-N 434.456 2.302 0 40 IEAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9741598 PBGIHNFZWVKMJL-JOCHJYFZSA-N 438.487 2.497 0 40 IEAB Cc1cc(C)n2nc(SCC(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)nc2n1 9964003 AZKQHWQPQYQCCK-UHFFFAOYSA-N 434.547 2.031 0 40 IEAB COc1cc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC 10718499 SMHRCSCSXCLOBJ-UHFFFAOYSA-N 432.448 2.357 0 40 IEAB CCN(Cc1ccc(Br)s1)C(=O)Cn1nnn(-c2cccs2)c1=O 10815143 NZXISHNVYFSFLN-UHFFFAOYSA-N 428.337 2.363 0 40 IEAB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2N)cc1 10921824 XIYQECJUMXIOMN-UHFFFAOYSA-N 426.502 2.281 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ccc(-c3ccco3)nn2)CC1 11693992 WPSCKDGPHZRDTF-UHFFFAOYSA-N 428.470 2.019 0 40 IEAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCc1ccccc1Cl 11905945 ZMHXSPCYOVCXFV-UHFFFAOYSA-N 428.919 2.193 0 40 IEAB CCn1nc(CC(=O)N2CCC[C@H]2c2cc3nc(C)cc(O)n3n2)c2ccccc2c1=O 12154056 HJNDKPOWJUJLRP-IBGZPJMESA-N 432.484 2.379 0 40 IEAB CCOC(=O)N1CCC(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)cn2C)CC1 12166632 PUQCDOYYPOFWKW-UHFFFAOYSA-N 431.464 2.454 0 40 IEAB CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1 13010753 LNMGUDZQWSHXKC-UHFFFAOYSA-N 431.558 2.477 0 40 IEAB CC(=O)c1ccc(N2CCN(CC(=O)N(C)CC(=O)Nc3ccc(F)cc3)CC2)cc1 13061019 PNQCZIZXQDYUCV-UHFFFAOYSA-N 426.492 2.247 0 40 IEAB O=C(CN(C[C@H]1CCCO1)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1 13501269 WWEZZZQEMYKBPL-HXUWFJFHSA-N 438.528 2.167 0 40 IEAB O=C(NCCN1CCOCC1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 13580390 CYANAHJGFQXGDN-UHFFFAOYSA-N 449.960 2.153 0 40 IEAB C[C@H]1CN(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)C[C@@H](C)O1 14360898 YKNWSMNHFHNBNO-JZXOWHBKSA-N 430.526 2.268 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCNC(=O)c1ccc(Br)cc1 14933234 TWPPUTIJVILRJA-UHFFFAOYSA-N 443.301 2.464 0 40 IEAB O=C(CSCc1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 15930142 VFFSBSHPSUIQMM-UHFFFAOYSA-N 448.545 2.468 0 40 IEAB CCOc1ccc(Oc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)cc1 16046427 LSTNVUAXRKGVDR-UHFFFAOYSA-N 449.467 2.263 0 40 IEAB O=C1N[C@@]2(CCC(=O)N(CC(=O)N3CCC[C@H](c4ccccc4)C3)CC2)Nc2ncccc21 19369940 YOKMECAYEQFNCB-UQBPGWFLSA-N 447.539 2.352 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)c4c[nH]nc4C)C3)nc2C)c1 19758269 MTRGSCIIHUPPIL-KRWDZBQOSA-N 434.500 2.385 0 40 IEAB CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 20105945 ZBHPNKDREATMOP-LJQANCHMSA-N 431.514 2.382 0 40 IEAB COC[C@H](C)NC(=O)c1cc(OC)c(OC)cc1N(Cc1ccccc1)S(C)(=O)=O 22253743 WXKCFWBJSITJFK-HNNXBMFYSA-N 436.530 2.435 0 40 IEAB Cc1ccc(NC(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)c(Br)c1 22932557 PXSHUBMBYSVHGJ-UHFFFAOYSA-N 437.382 2.326 0 40 IEAB NC(=O)Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 24490826 OGYOOAFFGQHUAO-OAHLLOKOSA-N 435.933 2.407 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1C 34800088 BEBLUUKPJXRGPF-UHFFFAOYSA-N 447.557 2.224 0 40 IEAB Cc1ccc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccc6c(c5)OCO6)no4)[C@H]3C2=O)cc1 38487656 IGPQBGKISNLPQO-QZTJIDSGSA-N 432.396 2.267 0 40 IEAB Cc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1S(=O)(=O)N(C)C 57286428 MLTQEOWWNDKRRU-UHFFFAOYSA-N 434.537 2.145 0 40 IEAB COc1ccc(N2Cc3nn(CC(=O)NCc4cccc(Cl)c4)c(=O)n3C2=O)cc1 66091479 CTEKZBYKRBAWPH-UHFFFAOYSA-N 427.848 2.012 0 40 IEAB COc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)cc1 67235351 LOXKDNVDGVKWJV-UHFFFAOYSA-N 432.480 2.031 0 40 IEAB C[C@H]1CCc2n[nH]c(C(=O)N3CCC([C@@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c2C1 72338853 MTQITXYTDQBUHZ-RNODOKPDSA-N 429.546 2.117 0 40 IEAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2cc3cccc4c3n(c2=O)CCC4)o1 96116045 OQSXSFJCXCYMMX-INIZCTEOSA-N 425.437 2.448 0 40 IEAB biogenic CS(=O)(=O)N1CCC(Cc2nccnc2N2C(=O)OC[C@@H]2Cc2ccccc2)CC1 257211494 BZBDWTYRPIDXKJ-SFHVURJKSA-N 430.530 2.259 0 40 IEAB Cn1c(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc(=O)n(C)c1=O 257241004 HWFOWHRDARHXJK-INIZCTEOSA-N 428.876 2.294 0 40 IEAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccc(OC)c(Cn2cccn2)c1 257289606 PZKGIYZDUPUEGM-JOCHJYFZSA-N 447.539 2.013 0 40 IEAB Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c1 408614659 GAJJFJBRURPEGV-MSOLQXFVSA-N 439.512 2.171 0 40 IEAB Cc1ccc(N(Cc2ccc(C(=O)NCCN3CCOCC3)cc2)S(C)(=O)=O)cc1C 408616566 HAURXAQVWKPUOV-UHFFFAOYSA-N 445.585 2.332 0 40 IEAB O=C1NCCN1CCOc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 585270612 ADXMFSWFQQZEFX-DEOSSOPVSA-N 425.529 2.497 0 40 IEAB CN(C(=O)NCc1ccc(F)cc1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775971901 XKLFPXKTQZBUKV-UHFFFAOYSA-N 432.463 2.356 0 40 IEAB CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1 2644194 DWYZHCQBUQPWOG-UHFFFAOYSA-N 431.543 2.463 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)Nc2ncn(Cc3ccc(Cl)cc3Cl)n2)CC1 2804749 BOQIQDJFIXJTDW-UHFFFAOYSA-N 432.333 2.243 0 40 IEAB COc1ccc(-c2nc3ccccc3c(=O)n2N=c2c(=O)c3ccccc3c2=O)cc1OC 3131496 WYNILBZIVIYJHS-UHFFFAOYSA-N 439.427 2.194 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3260572 DZRJCGLLHOWLAB-UHFFFAOYSA-N 432.285 2.157 0 40 IEAB aggregator CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O 6190658 BITNSDDIECHEHD-WMZOPIPTSA-N 435.521 2.029 0 40 IEAB COCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C 8725037 ZXDJKRVQROGVRR-CYBMUJFWSA-N 430.896 2.002 0 40 IEAB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CCOc2ccc(Cl)cc2)cc1 8853100 LTCPDFSQPRVJSM-UHFFFAOYSA-N 432.951 2.290 0 40 IEAB O=C(COc1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 8894682 NQBJTVVKGLHKGI-UHFFFAOYSA-N 445.541 2.325 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)c1cccs1)c(=O)n2Cc1ccccc1 9315028 DSVUETKGXDCULX-HNNXBMFYSA-N 437.525 2.367 0 40 IEAB O=C(CCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)N[C@@H]1C=CS(=O)(=O)C1 9429777 UJFXWGNNDWGDNV-OJLMPMFISA-N 426.903 2.193 0 40 IEAB COc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1S(=O)(=O)NC1CC1 9575436 NEEFMRHXABMOAL-CQSZACIVSA-N 441.513 2.208 0 40 IEAB COc1ccc(-c2n[nH]c(=S)n2CC(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1 11360432 OHCAKCSNPZYZBF-UHFFFAOYSA-N 447.542 2.304 0 40 IEAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 11976296 MSSUAVAXBWZRRA-GOSISDBHSA-N 448.614 2.456 0 40 IEAB COc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4C)cnc32)cc1OC 12072101 VWBLUADNFAVZME-UHFFFAOYSA-N 447.495 2.397 0 40 IEAB CCCc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1 12906750 HMYQLDZPKFRNLN-UHFFFAOYSA-N 426.542 2.382 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)C1 13004096 JAGSGSNDQIOVIM-MRXNPFEDSA-N 440.525 2.456 0 40 IEAB Cc1ccc(-c2nc(C(N)=O)c3c(n2)n(C(C)C)c(=O)n3CC(=O)N2CCCCC2)s1 13227471 ZOKQLLDCIVPEHU-UHFFFAOYSA-N 442.545 2.322 0 40 IEAB CSc1nc2n(n1)[C@@H](c1c[nH]c3ccccc13)CC(=C1C(=O)N(C)C(=O)N(C)C1=O)N2 13591292 ISBRGRUMOWRQQH-CQSZACIVSA-N 437.485 2.191 0 40 IEAB Cn1ccc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)cc2)n1 14899729 PWXGXRZXEXZUFA-AWEZNQCLSA-N 427.324 2.365 0 40 IEAB O=C(c1cccs1)N1CCc2c(nc([C@@H]3CCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19400032 AYLGRXAPZXESHX-KRWDZBQOSA-N 435.509 2.402 0 40 IEAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(CC(=O)Nc1ccc(F)cc1)CC2 19710323 UPCXXRJSAQYBSQ-MRXNPFEDSA-N 440.523 2.380 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)Nc4cccc(Cl)c4)c(=O)c3s2)CC1 21886383 OHTDQFVNRMQJMQ-UHFFFAOYSA-N 432.937 2.287 0 40 IEAB COc1ccc(OC)c(COC[C@H](O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 22918079 OPXDRRRHPRGCFU-HXUWFJFHSA-N 444.528 2.128 0 40 IEAB CCNC(=O)COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 24990998 ONXHDHNFHLLAFT-UHFFFAOYSA-N 431.514 2.238 0 40 IEAB CS(=O)(=O)N1CCC(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC1 29993229 UTMYUBZYFIFWLF-UHFFFAOYSA-N 428.514 2.067 0 40 IEAB COc1ccc(NC(=O)C[S@@](=O)CC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 35311227 QJCOIMJQVKFJJS-HKBQPEDESA-N 443.569 2.348 0 40 IEAB CN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 58105324 VFZXERUAVQCETQ-UHFFFAOYSA-N 425.580 2.425 0 40 IEAB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N[C@H]1CCCCNC1=O 59123874 HGSRMYYLORTEJD-IBGZPJMESA-N 449.960 2.316 0 40 IEAB O=C1CCCN1CC(=O)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352470 GDOJSQBKVRRLSU-MRXNPFEDSA-N 441.553 2.312 0 40 IEAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1c(F)ccc(S(C)(=O)=O)c1F 79072044 YYJDGUBBCCPYFL-UHFFFAOYSA-N 426.441 2.478 0 40 IEAB O=C(Nc1ccccc1-c1ccc(=O)[nH]n1)C1CCN(c2ccc(-n3cccn3)nn2)CC1 90614041 LAOKHPOECNHVRJ-UHFFFAOYSA-N 442.483 2.268 0 40 IEAB COC(=O)[C@@]1(NCC(=O)NCc2cccc(OC)c2)CCCN(Cc2ccccc2)C1 95454694 SEVQSTZIIXVLQF-XMMPIXPASA-N 425.529 2.109 0 40 IEAB COc1cccc(NC(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@]32CCN(C)C2=O)c1 96144073 JXABVRSFGDTSIY-QHCPKHFHSA-N 443.548 2.155 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]32)c(OC)c1 101416233 DWWRNJUUMBJLQP-ROUUACIJSA-N 443.847 2.289 0 40 IEAB O=C(O)CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2C2(CCCCC2)[C@H]31 107440475 FUPMLKHYFHMFNU-AMJSTUSJSA-N 448.566 2.454 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)c1 108879043 YKTBMWIXZWHHNY-ZOBUZTSGSA-N 438.546 2.279 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc(I)cc1 222369768 ZICDEKHPZFJWES-IFMAEWBWSA-N 448.260 2.283 0 40 IEAB O=C1N[C@@]2(C[C@H]3CC[C@H]2C[C@H]3C(=O)NC2CCN(C(=O)C3CC3)CC2)Oc2ccccc21 247468043 DHNJZHYMIYWKGL-OQZIJSJASA-N 437.540 2.459 0 40 IEAB Cc1ccc(CN(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 260930932 LHORWKBVAPRLRQ-MRXNPFEDSA-N 438.571 2.038 0 40 IEAB Cn1cc(CN2CCN(CC3CC3)[C@@H](c3cn4c(N5CCOCC5)cccc4n3)C2)cn1 306133146 MDGQHEQVYBSRJO-JOCHJYFZSA-N 435.576 2.173 0 40 IEAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCCCN1CCOCC1 408629893 JVKMABULZWOSKT-UHFFFAOYSA-N 431.558 2.105 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)no1 408668642 VGRDALFXPQXXSF-JLZZUVOBSA-N 425.441 2.704 0 40 IEAB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2)n1C 409170442 VSSWSDWQLVNANB-UHFFFAOYSA-N 439.497 2.483 0 40 IEAB NS(=O)(=O)C[C@@H]1CCCN(C(=O)C2(c3ccc(Br)cc3)CCOCC2)C1 558055490 WNCYCSZGKKNOQZ-CQSZACIVSA-N 445.379 2.024 0 40 IEAB COc1cc(CNC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc(OC)c1 585286347 ZDSXOFHAURURLE-UNMCSNQZSA-N 434.920 2.085 0 40 IEAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)N3CCCN(C)CC3)ccc21 643584216 XUYGOWWTNXVUJR-UHFFFAOYSA-N 430.593 2.497 0 40 IEAB COc1ccc(-n2ncc3c(=O)n(CC(=O)Nc4ccc(NC(C)=O)cc4)cnc32)cc1 1330769 CMWUDVLJWWQELS-UHFFFAOYSA-N 432.440 2.188 0 40 IEAB Cc1c(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c(=O)n(-c2ccccc2)n1C 2356758 WLZASSBTACJRIE-UHFFFAOYSA-N 428.452 2.236 0 40 IEAB COc1ccc(CC(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CS(=O)(=O)C3)cc1 3009429 UXKBCCQNHDWPBK-UHFFFAOYSA-N 427.482 2.499 0 40 IEAB CC(C)CCn1nc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc2c1=O 3433125 FDCRYQZWQYEQCU-UHFFFAOYSA-N 436.468 2.337 0 40 IEAB COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1S(=O)(=O)NC1CC1 8861431 IUMUGFZJAWQESP-UHFFFAOYSA-N 431.514 2.225 0 40 IEAB NC(=O)c1oc2ccccc2c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 8896660 SQECQSPSFYHPNE-OAHLLOKOSA-N 431.445 2.463 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(-c2cccnc2)o1 9493034 GUTCGFKNDWGSPH-UHFFFAOYSA-N 449.514 2.121 0 40 IEAB Nc1c(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c(=O)[nH]c(=O)n1C1CC1 9637173 XUKQPEACVJKHQR-UHFFFAOYSA-N 449.876 2.044 0 40 IEAB CCOC(=O)Cn1c(C)cn2c3c(=O)n(Cc4cccc5ccccc45)c(=O)n(C)c3nc12 10103939 GWZHZOIOSUNODC-UHFFFAOYSA-N 445.479 2.222 0 40 IEAB O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCN(C(=O)c2ccco2)CC1 10217617 CBMFCCDJUJEEGV-UHFFFAOYSA-N 445.541 2.443 0 40 IEAB CCOC(=O)Cn1c(C)c(C)n2c3c(=O)n(Cc4ccc(Cl)cc4)c(=O)n(C)c3nc12 10233729 FWLVVJBUIBKGFH-UHFFFAOYSA-N 443.891 2.031 0 40 IEAB O=C(CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1)Nc1cccnc1Cl 11338027 XDFCDQNYRDPORK-CYBMUJFWSA-N 438.941 2.073 0 40 IEAB O=C(C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1)OCCCc1ccccc1 12293916 FGPJVXIGHCAFQU-IBGZPJMESA-N 439.537 2.068 0 40 IEAB O=C(CN1CCOc2ccccc2C1)N1CCC[C@@H](CNS(=O)(=O)c2cccs2)C1 12299137 AGZDMUSAIIYJMK-KRWDZBQOSA-N 449.598 2.160 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 12443457 UVMZCVWLBPBIEK-UHFFFAOYSA-N 425.514 2.367 0 40 IEAB O=C(NC1=NCCS1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 12777050 ZQRLMDFMBAQOQY-ZDUSSCGKSA-N 432.365 2.211 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccsc3)CC2)cc1 13000141 VLXWBSGJRMJPQP-UHFFFAOYSA-N 436.555 2.391 0 40 IEAB Cc1cccc(N2C(=O)[C@H]3C=C[C@@H](n4nc(O)n(Cc5ccccc5)c4=O)C[C@@H]3C2=O)c1 16349510 ZQSQZUXEKWFBQC-AABGKKOBSA-N 430.464 2.414 0 40 IEAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3CCS(=O)(=O)C3)cc2n1 19522255 IYQPHWNWGNRNGZ-RISCZKNCSA-N 430.452 2.409 0 40 IEAB O=C(NC1CCN(C(=O)CCCN2C(=O)NC3(CCCC3)C2=O)CC1)c1ccccc1 22471415 HZXBBMOGKYMIKL-UHFFFAOYSA-N 426.517 2.052 0 40 IEAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCc1nnc2ccccn12 23645002 BVEZKWNJLVMVKM-UHFFFAOYSA-N 425.470 2.039 0 40 IEAB CC(C)c1ccc(-n2nnnc2SCc2nc3ccccc3c(=O)n2CC(N)=O)cc1 24510265 HHDORXOQADKPJN-UHFFFAOYSA-N 435.513 2.273 0 40 IEAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(Br)c1 24985625 VXHXODQIUSLQKD-ZFWWWQNUSA-N 443.319 2.150 0 40 IEAB CCOC(=O)C1=C(CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)NC(=O)N[C@@H]1c1ccco1 31801574 WJCBJGARSLBHEB-FZKQIMNGSA-N 438.440 2.308 0 40 IEAB CC(C)[C@@H](NC(=O)CN1CCN(c2ncccn2)CC1)c1ccc2c(c1)OCCCO2 35380459 UBBZNLRFNRLDSC-JOCHJYFZSA-N 425.533 2.273 0 40 IEAB COc1ccc(CNC(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)cc1OC 44890287 VWQGSARNOCVYBC-UHFFFAOYSA-N 439.468 2.261 0 40 IEAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CCC(O)CC1 57594514 PWWAGAQIAUMKLI-IBGZPJMESA-N 426.521 2.214 0 40 IEAB COC(=O)CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C1CCCC1 58017731 MRQZDIQHXSCLMC-SFHVURJKSA-N 446.544 2.429 0 40 IEAB CCCCn1nc(C(=O)NCc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1=O 72298228 CNZMNIKYVKQTRH-UHFFFAOYSA-N 447.542 2.231 0 40 IEAB Cc1cccn2c(=O)cc(CN(CCN3CCCS3(=O)=O)c3cccc(F)c3)nc12 72311951 MCLDBFFKGCPEFK-UHFFFAOYSA-N 430.505 2.184 0 40 IEAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)N[C@@H]1CN3CCC1CC3)NC2=O 72339231 JZPKEUKJIURZGC-ILBQBJFFSA-N 425.529 2.160 0 40 IEAB COCCN1CC2(CCN(C(=O)c3ccncc3)CC2)COc2ccccc2S1(=O)=O 96145166 OZKMVZBGMPWIBG-UHFFFAOYSA-N 445.541 2.034 0 40 IEAB O=C1C[C@H](N2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(N2CCOCC2)cc1 101163431 YZAJBQKGUZTHMP-QFIPXVFZSA-N 438.503 2.116 0 40 IEAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 220238029 DRZUKCVZXCNBQK-ZDUSSCGKSA-N 436.486 2.284 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222457788 ZBWAMEJTQQHELZ-SFHVURJKSA-N 431.558 2.233 0 40 IEAB CNC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cncnc2)c1 257331056 XREZMEPXORWQSB-GOSISDBHSA-N 425.489 2.270 0 40 IEAB O=C(O)CN1C(=O)N/C(=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)C1=O 408595638 XNRZZOYZTBIIFQ-RQZCQDPDSA-N 436.399 2.396 0 40 IEAB O=S1(=O)C[C@@H](O)[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1 575423350 PNYSRMKEQLWYBN-LEWJYISDSA-N 431.535 2.189 0 40 IEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)N1CCCCC1 920897 LJUMXYIBLDMNOR-UHFFFAOYSA-N 449.598 2.372 0 40 IEAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c(C)c3cc12 2155003 WECPSRWFLYCZDL-INIZCTEOSA-N 443.456 2.025 0 40 IEAB biogenic COc1ccc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1 3394591 MMNFCUQWHJMOBW-UHFFFAOYSA-N 425.441 2.297 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)CNC(=O)c2ccc(OC)cc2)sc(C)c1C 9579654 HXMCVUQXJNOPFZ-UHFFFAOYSA-N 448.497 2.462 0 40 IEAB CCc1cc2c(=O)c(-c3nncn3-c3ccccc3)coc2cc1OCC(=O)NCC(=O)O 9616267 LFJQNQJWEFBRLP-UHFFFAOYSA-N 448.435 2.183 0 40 IEAB C[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)C(=O)Nc1ccc2c(c1)CCC2 9789352 FZQPKDQTOSSTDG-ZIAGYGMSSA-N 434.587 2.400 0 40 IEAB CCN(CC(=O)NCCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430828 VCHYEHIRANGVQG-UHFFFAOYSA-N 425.533 2.000 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1OCC 11674947 CVFZWGAGNLLUFN-IAGOWNOFSA-N 444.484 2.307 0 40 IEAB CC(=O)N1CC2(CCN(C(=O)Cc3nc4nc(C)cc(C)n4n3)CC2)Nc2ccccc21 12086142 IMJVWDFLEXXWKN-UHFFFAOYSA-N 433.516 2.123 0 40 IEAB CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)Cn1nnc2ccccc21 12276241 ZEWWHBJFMGKFHE-QGZVFWFLSA-N 432.484 2.259 0 40 IEAB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)CN1C(=O)COc2ccccc21 12794319 XPHFEZKBGWULTD-UHFFFAOYSA-N 437.374 2.408 0 40 IEAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1COc1ccccc1 13028459 OMXNGZTZORIRGW-GOSISDBHSA-N 430.526 2.031 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl 13134341 VWUFSKQQASRKMZ-UHFFFAOYSA-N 448.284 2.148 0 40 IEAB CCn1c(SCC(=O)O[C@H](C(=O)NC(=O)NC)c2ccccc2)nnc1-c1ccco1 13149038 VVEAJCPRJDHNFS-INIZCTEOSA-N 443.485 2.390 0 40 IEAB COc1cc(CC(=O)N2CC[C@H](c3cc4nc(C)cc(O)n4n3)C2)cc(OC)c1OC 13225647 RKOHEFFAWUVZPU-HNNXBMFYSA-N 426.473 2.328 0 40 IEAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 13692678 XSPQLZPYCKMAFO-IBGZPJMESA-N 434.489 2.039 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19695715 RCIKCTWJCQPOOU-HXUWFJFHSA-N 435.528 2.454 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCN(C(=O)CN4CCCC4)C3)nc2C)c1 19758261 GGELEBJHTVVBLR-LJQANCHMSA-N 437.544 2.135 0 40 IEAB COCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C3 19821257 KJRZBFOPHOQXDC-CQSZACIVSA-N 439.468 2.051 0 40 IEAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCc1c[nH]c2ccccc12 20722114 NRYGRQNKHNEUBX-SFHVURJKSA-N 434.452 2.066 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc2)C[C@@H](C)O1 22313255 PSCVZMZFXACLSU-HZPDHXFCSA-N 442.541 2.333 0 40 IEAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N2CCN(C)CC2)cc1 22579220 YUZYNZCVRUNXEV-HXUWFJFHSA-N 432.471 2.017 0 40 IEAB CCOc1cc2c(cc1CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)O[C@H](C)C2 24081749 FTRFIQAMBYGKSB-OAHLLOKOSA-N 432.542 2.430 0 40 IEAB COc1cccc(C(=O)N2CCN(C(=O)Cc3cc(OC)c(OC)c(OC)c3)CC2)c1 30898543 XLDJJXYAXBOSSP-UHFFFAOYSA-N 428.485 2.248 0 40 IEAB O=C(CN1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)CC1)Nc1ccc(F)cc1 35392604 KTQZOHVZOHGQKS-UHFFFAOYSA-N 438.503 2.278 0 40 IEAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35907733 VPBKIFQNIUDKBH-INIZCTEOSA-N 433.530 2.037 0 40 IEAB COc1ccc(C(=O)N(C)Cc2nnc3n2CCCCC3)cc1S(=O)(=O)N1CCCC1 40033954 MYWWUGPXGMNODO-UHFFFAOYSA-N 447.561 2.070 0 40 IEAB COc1ccc(OCCN2CCN(C(=O)c3csc(-c4cnn(C)c4)n3)CC2)cc1 40143583 FATQAYVNTOIRKL-UHFFFAOYSA-N 427.530 2.389 0 40 IEAB C[C@@H]1CN(C(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2cc(Cl)ccc2O3)CC[C@@H]1O 72327679 FAQGORDIXZTEMB-UVQUFPMPSA-N 434.920 2.286 0 40 IEAB Cn1c(=O)n(C)c2cc(C(=O)N3CCC[C@@H](n4nc(-c5ccco5)ccc4=O)C3)ccc21 72334927 ONBALSUUOXPERB-MRXNPFEDSA-N 433.468 2.171 0 40 IEAB O=C(c1cccnc1)N1CCc2nc(C3CCN(C(=O)C4CCCC4)CC3)[nH]c(=O)c2C1 72398919 MOCWGGNBIHFJLV-UHFFFAOYSA-N 435.528 2.260 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)c1 89904911 XQOQCLSXIVOGDG-BODITIBLSA-N 439.511 2.037 0 40 IEAB CN1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(F)c(F)c2)CC1 95949706 KJWADIQAUHKUOV-HXUWFJFHSA-N 435.496 2.249 0 40 IEAB COc1cc(CNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc(OC)c1OC 220145050 CPIUXHNXUALCGY-HNNXBMFYSA-N 436.530 2.492 0 40 IEAB COc1ccc(CN(C(C)=O)[C@@H](C(=O)NCCN2CCOCC2)c2ccccc2)cc1 223543964 DDAGGMGATYRNMM-HSZRJFAPSA-N 425.529 2.233 0 40 IEAB COc1ccccc1CCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 223591321 PIDAPBVTIKFUQC-UHFFFAOYSA-N 432.498 2.268 0 40 IEAB COc1ccc(S(=O)(=O)NC(C)(C)C(=O)Nc2ccc(OC)c(C(=O)N(C)C)c2)cc1 225957999 APKZXGTWSDGZQW-UHFFFAOYSA-N 449.529 2.101 0 40 IEAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1OC[C@H](N)C(C)C)C(=O)N[C@@H](C)C(=O)O 257312222 UMXSDSMVTPGFRI-NUTKFTJISA-N 427.929 2.046 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N[C@H](C)c1ccc3c(c1)OCCO3)O2 260826494 BSUUEIDYJPTXRD-VLIAUNLRSA-N 432.498 2.171 0 40 IEAB C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(I)cc1)c1ccccc1 408998784 OLPXFHDDGLYFMH-GFCCVEGCSA-N 444.294 2.447 0 40 IEAB Cc1noc(CCNC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)n1 524735261 MJEHBWYVOLBQBH-NRFANRHFSA-N 431.452 2.242 0 40 IEAB CCC[C@@H](C)N1C[C@H]2C(=O)NC3(CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)[C@H]2C1 585106176 AQAYOMFBRLONJG-AHRSYUTCSA-N 435.590 2.085 0 40 IEAB CCN1CCN(C(=O)CCn2cnnn2)[C@H](Cc2ccccc2-c2cccc(C)c2)C1=O 585169005 KAYTVDQQIAYLAN-JOCHJYFZSA-N 432.528 2.341 0 40 IEAB COc1cccc(CN2C(=O)[C@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)c1OC 2441659 RKKMVEZYLQOBKK-QGZVFWFLSA-N 427.335 2.242 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(N2CCCCC2=O)cc1 8881993 QBQQOXNYTXDHDX-UHFFFAOYSA-N 443.525 2.477 0 40 IEAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 9515758 SRGFZXUEOWITFZ-QHCPKHFHSA-N 441.451 2.221 0 40 IEAB COc1ccc(C2=NC3(CCN(CC(=O)Nc4ccc(F)c(F)c4)CC3)NC2=O)cc1 9526796 VRKQCEDYOPIYBA-UHFFFAOYSA-N 428.439 2.323 0 40 IEAB CCn1c(=O)c(C(=O)CN2CCC[C@@H]2c2cccn2C)c(N)n(Cc2ccccc2)c1=O 9664850 WTLZZQATEPUBJS-LJQANCHMSA-N 435.528 2.019 0 40 IEAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(OC)c(F)c1 9761645 ZEOPOZVDTUWNOM-UHFFFAOYSA-N 448.428 2.325 0 40 IEAB C[C@H](NC(=O)Cn1c(=O)c(N2CCCCC2)c(N)n(C)c1=O)c1ccc2ccccc2c1 9780735 SUSDPZSCYGRSPG-INIZCTEOSA-N 435.528 2.150 0 40 IEAB COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CSc2nnnn2C)cc1=O 10254847 JYNRVABEWJZWFY-UHFFFAOYSA-N 434.909 2.273 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NCCNc2ccc(Nc3ccccn3)nn2)c1 11697444 LKHHUMSZOVSFAA-UHFFFAOYSA-N 430.490 2.023 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2)C1=O 11904897 CMIYQVIUGWUGOA-LBPRGKRZSA-N 428.919 2.131 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cc(C)n(C)n4)o3)CC2)cc1 12443134 NFDUGTFSTNZIRN-UHFFFAOYSA-N 444.517 2.126 0 40 IEAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1OC 12526042 UIXRHHMHZQEMEY-ZPMKCOPCSA-N 448.453 2.322 0 40 IEAB CCc1nc2ccccc2n1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12560178 AKBPSZHYBYUJAY-OAQYLSRUSA-N 434.496 2.110 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1 12588178 ZFDCZOXYCOQVIQ-UHFFFAOYSA-N 446.558 2.424 0 40 IEAB COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1=O 12850388 RVWZOANUHZMOLZ-ZBFHGGJFSA-N 439.468 2.026 0 40 IEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1ccc(-n2cnnn2)cc1 12898574 JIBGVCZEVCVYJC-UHFFFAOYSA-N 431.382 2.307 0 40 IEAB C[C@@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C 12982619 GSXIXOOUZGWGJL-HZPDHXFCSA-N 430.526 2.301 0 40 IEAB CC(C)CNC(=O)NC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC(F)F)cc2)n1N 14568172 RMEAFQGMMAVTCV-SNVBAGLBSA-N 428.465 2.223 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc4ncsc4c3)CC2)c1 15091807 WCABNNRGGWAUJC-UHFFFAOYSA-N 447.538 2.460 0 40 IEAB CCOc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 18591718 KKSVWHBFOLMPSY-CQSZACIVSA-N 425.441 2.321 0 40 IEAB CCc1ccc(CN2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(S(C)(=O)=O)CC4)C2)cc1 19522877 VDXBRRIOVOGLFH-SFHVURJKSA-N 430.574 2.030 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccccn4)CC3)c(Cl)c2)C1=O 19797451 UNKVMBUMCWKVDQ-AWEZNQCLSA-N 448.932 2.010 0 40 IEAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 21676653 GOJWEAMXSNFECF-UXHICEINSA-N 427.476 2.463 0 40 IEAB COc1ccc(OC)c(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c1 22333944 UTYYSCROBBMKLX-INIZCTEOSA-N 436.530 2.362 0 40 IEAB COc1ccc(OCCN2CCN(CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)cc1 22815571 BKKNVKRJMOMAAL-UHFFFAOYSA-N 430.549 2.150 0 40 IEAB O=C(Cn1ccc(=O)[nH]c1=O)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1 30509924 AVDHEAVJGUOQIH-UHFFFAOYSA-N 444.944 2.263 0 40 IEAB COc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)n1 38486674 FRSXMHYEIXZBDL-UHFFFAOYSA-N 433.403 2.282 0 40 IEAB COc1ccc(CN2CC(=O)N(c3cc(C)cc(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 57747775 YBEJEELXKQOUKF-VQTJNVASSA-N 444.553 2.335 0 40 IEAB CCOC(=O)C1CCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3OCC)NC(=O)N2)CC1 67287872 PXQLUFXQUDSNSS-HXUWFJFHSA-N 445.516 2.141 0 40 IEAB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N3CC(=O)Nc4ccccc43)s2)cc1 222620091 JFNNNAWSASHWCH-UHFFFAOYSA-N 429.483 2.246 0 40 IEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 224424467 FYLQQOTYFJRSSL-UHFFFAOYSA-N 446.525 2.441 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225424069 CDVDXDPUPVNXDE-QGZVFWFLSA-N 449.548 2.372 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3c(OC)cccc3OC)C2)cc1 226083707 CNJDHMUBYYEIND-MRXNPFEDSA-N 448.541 2.430 0 40 IEAB CNc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc(CN4CCCC4)cc3)C2)ncn1 257231911 GIRBXPLNCZYGIN-DEOSSOPVSA-N 438.576 2.218 0 40 IEAB COc1ccc(CCC(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc1 585148498 MJPGDQKEDCTGEU-UHFFFAOYSA-N 427.423 2.445 0 40 IEAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)NCc1ccccc1Br 1547201312 ZHODTMGVUORCHK-UHFFFAOYSA-N 442.273 2.112 0 40 IEAB CCc1nnc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCN(C(C)=O)CC2)s1 1548348251 JBLNUKVVVBQUHB-UHFFFAOYSA-N 427.530 2.466 0 40 IEAB COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC2)cc1OC(F)F 1730154569 WYPGCFPMAAKPIJ-LBPRGKRZSA-N 445.492 2.147 0 40 IEAB COc1cc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)cc(OC)c1 932455 NHIAKSIBLPJYAW-UHFFFAOYSA-N 429.458 2.182 0 40 IEAB CS(=O)(=O)CC[C@@H](C(=O)Oc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O 2252971 QGHFPIFAGBKANL-KRWDZBQOSA-N 438.461 2.240 0 40 IEAB COc1ccccc1NC(=S)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 6177039 RCXMYSJPNBPCJW-UHFFFAOYSA-N 427.482 2.457 0 40 IEAB CC(C)c1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)cc1 8595607 AUCKQWYUAMFMSP-UHFFFAOYSA-N 436.472 2.281 0 40 IEAB CCc1ccc(OC[C@@H](O)Cn2c(SCC(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 8934396 PNFUDYXNHFKJJP-HNNXBMFYSA-N 432.546 2.174 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 9165780 CLRMEAXFUKUOKA-MOPGFXCFSA-N 430.526 2.061 0 40 IEAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC[C@H]1CCCO1 9450517 OMSAQJHVOXKYFF-ZWGUXKJGSA-N 445.585 2.471 0 40 IEAB Cc1ccccc1-n1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O 9633348 XFKIECRSFVTSJP-HNNXBMFYSA-N 443.550 2.090 0 40 IEAB COc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(CCCO)c(=O)n(C)c4nc23)cc1 9713318 MZWZCZVVCIGQRX-UHFFFAOYSA-N 445.479 2.197 0 40 IEAB Cc1ccn2cc(C(=O)OCC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)nc2c1 12556555 RBRYKAVAJOVPFN-UHFFFAOYSA-N 427.482 2.395 0 40 IEAB C[C@@]1(NC(=O)CSc2nnc(-c3ccccc3Br)o2)CCS(=O)(=O)C1 12695246 GRPFMMDMPZCHAG-OAHLLOKOSA-N 446.348 2.285 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)C3CCCCC3)CC2)cc1 12768910 WYSDADBDGWDAOA-UHFFFAOYSA-N 435.590 2.339 0 40 IEAB Cc1cc(-c2nnc(NC(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)o2)n(C)n1 13614995 ONGIJIGKOFLGBK-GFCCVEGCSA-N 436.519 2.022 0 40 IEAB C[C@@H](Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1)C(=O)NCc1ccco1 14244041 HJLZHFOPJVYEIT-SNVBAGLBSA-N 427.486 2.082 0 40 IEAB C[C@H](C(=O)N(C)CCc1ccccc1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 19077433 XBDAPTSZBZVFQA-OSPHWJPCSA-N 435.528 2.035 0 40 IEAB COc1ccc(C(=O)Cn2c(=O)n(-c3ccccc3F)c3nc(C)nc(C(N)=O)c32)cc1 19240614 JOHQOOIUIIOSRM-UHFFFAOYSA-N 435.415 2.020 0 40 IEAB CNc1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(C2CCN(S(C)(=O)=O)CC2)n1 19697333 LSGBZQDWTSSVAD-OAHLLOKOSA-N 447.536 2.317 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)CCC(N)=O)C2)nc2c1CCC(=O)N2CCc1ccccc1 19741537 GCNVRMVNFRIPKP-LJQANCHMSA-N 449.555 2.278 0 40 IEAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](Sc3nnc4nc(C)cc(C)n34)C2=O)cc1 20799403 AQMJRAVKRCQDFP-OAHLLOKOSA-N 425.470 2.342 0 40 IEAB CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)OCC(=O)NC(=O)c1cccn1C 21134509 KITONWQQKORKNL-UHFFFAOYSA-N 433.464 2.411 0 40 IEAB COC(=O)c1cccc(OCCOCCOCCOCCNC(=O)OC(C)(C)C)c1 22052621 ZCKVHJVCFZYPLQ-UHFFFAOYSA-N 427.494 2.427 0 40 IEAB in-vitro Cc1csc2nc(Cn3ncc(Br)c(Br)c3=O)cc(=O)n12 23558375 BEZTZSYZMJMIKZ-UHFFFAOYSA-N 432.097 2.194 0 40 IEAB COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccc(F)cc2)cc1OC 35672556 UZHNKKMTNNAXGU-INIZCTEOSA-N 443.518 2.221 0 40 IEAB COCCn1nnnc1CN(Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O 57615884 XFYJWBMUDXVJDB-UHFFFAOYSA-N 440.529 2.434 0 40 IEAB CC(=O)N1CCc2cc(C(=O)NCCCN3CCN(C(=O)OC(C)(C)C)CC3)ccc21 59022094 RSNAIFHYRAZCHE-UHFFFAOYSA-N 430.549 2.268 0 40 IEAB O=C(Nc1ccc(NC(=O)[C@@H]2Nc3cc(F)ccc3S(=O)(=O)N2)cc1)c1ccco1 64960044 HEXDVBOFEOKPCJ-QGZVFWFLSA-N 430.417 2.340 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1c(-c2cccc(F)c2)nc(C)c(CCO)c1=O 67316718 WEMIHHZPAGTQIW-UHFFFAOYSA-N 439.443 2.318 0 40 IEAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)cc(Cl)c1F 84498007 CHRRJEUWSKJZEH-UHFFFAOYSA-N 442.852 2.451 0 40 IEAB Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCN(c2ccc(CN(C)C)cn2)CC1 95453841 APQJOPVSEAADGJ-UHFFFAOYSA-N 428.581 2.230 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2cccs2)c2sc(=O)[nH]c2S[C@H]31 100912671 DVRQTSNAVXBUAN-RYEGWSNRSA-N 448.547 2.056 0 40 IEAB COc1ccc(-c2noc(CNC(=O)[C@@H](C)N(c3ccccc3F)S(C)(=O)=O)n2)cc1 220323073 YKEJOYWRAXNXIL-CYBMUJFWSA-N 448.476 2.355 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 223188329 FOWGSXVHEIWWOY-UHFFFAOYSA-N 447.557 2.427 0 40 IEAB Cc1ccc(CNC(=O)[C@@H]2C[C@@]3(CO2)CN(Cc2ncc(C(F)(F)F)[nH]2)CCO3)cc1 2056225692 YOVGITKJNXUMRZ-JXFKEZNVSA-N 438.450 2.413 0 40 IEAB COCCNC(=O)[C@H]1C[C@@H](NCc2ccc(F)cc2F)[C@H](c2cnc(C(C)C)[nH]2)[C@@H]1O 2332241941 PHDQCLZDRPEMAI-JQERWDHBSA-N 436.503 2.197 0 40 IEAB CCOC(=O)C1=NN[C@]2(c3ccc(Cl)cc3)C(=O)N(c3ccccc3OC)C(=O)[C@H]12 631871 OPVSWHGRCRQCOW-KKSFZXQISA-N 427.844 2.256 0 40 IEAB O=C(CNS(=O)(=O)c1ccc(F)c(F)c1F)OCC(=O)c1c[nH]c2ccccc12 3367325 HYIYGNBUHODGQE-UHFFFAOYSA-N 426.372 2.290 0 40 IEAB COc1ccc(/C=C/C(=O)N(C)Cc2cccs2)cc1S(=O)(=O)N1CCOCC1 3432899 ISIGBIFPRRGGBH-SOFGYWHQSA-N 436.555 2.449 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 3477250 NEBIVVABMWGJTM-OSPHWJPCSA-N 442.560 2.481 0 40 IEAB CCOC(=O)Cc1csc(N[C@@](NC(=O)OCC)(C(=O)OCC)C(F)(F)F)n1 8445385 WSMPTSPAEYFOPF-CQSZACIVSA-N 427.401 2.228 0 40 IEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)C1=O 8727273 MZZXACHNFHVECF-NRFANRHFSA-N 447.488 2.262 0 40 IEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(=O)Nc2c(C)cccc2C)C1=O 8891844 DKBPFUPBOZHWIB-QHCPKHFHSA-N 440.475 2.355 0 40 IEAB COc1cccc(-n2c(S)nc(O)c([C@@H]3NCCc4cc(OC)c(OC)cc43)c2=O)c1 9359553 QXOOLLDZRIVZJF-LJQANCHMSA-N 441.509 2.488 0 40 IEAB COc1cc(NC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc(OC)c1OC 9669543 PSEYHXQMNNIZBR-HSZRJFAPSA-N 439.468 2.435 0 40 IEAB O=C([C@H]1CN(C(=O)Cn2ncc(=O)c3ccccc32)c2ccccc2O1)N1CCCCC1 9949374 IEZRLLAYBOEWIX-JOCHJYFZSA-N 432.480 2.203 0 40 IEAB Cn1c(CCC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)nc2ccccc2c1=O 9993347 HUPCCJXLAIJKDA-UHFFFAOYSA-N 431.496 2.373 0 40 IEAB CC[C@@H](NC[C@H](O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1)C(=O)O 11667605 MNKQDMAGFRLZDT-FXAWDEMLSA-N 436.530 2.013 0 40 IEAB COc1ccc(S(=O)(=O)N(C)Cc2nc(N(C)C)ncc2-c2cc(C)no2)cc1F 12160077 MNSVOYUWFGWZOE-UHFFFAOYSA-N 435.481 2.474 0 40 IEAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC(O)(Cn2ccc3ccncc32)CC1 12222222 VAHDXECZEYFPFA-UHFFFAOYSA-N 427.526 2.497 0 40 IEAB O=C(Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1)c1ccc[nH]c1=O 12422916 SBUIPJKRBSLVOG-UHFFFAOYSA-N 441.488 2.114 0 40 IEAB CNc1snc(C)c1C(=O)OCC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C 16554248 OVUMDEZENKTJQA-ZDUSSCGKSA-N 425.532 2.311 0 40 IEAB Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(c3cccc(C)c3C)CC2)cc1 19211250 RQIQJDBKEPQMHX-UHFFFAOYSA-N 440.573 2.352 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)n1 19709560 UEFCGMPXGBLFBX-KRWDZBQOSA-N 442.539 2.478 0 40 IEAB CNc1nc([C@@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)nc2c1CN(C(C)=O)CC2 19710524 YYDRJWHAOOSOSU-MRXNPFEDSA-N 440.523 2.380 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CC1CCCCC1)C(=O)C2 19739617 QQXLGMRWZSTUBK-LJQANCHMSA-N 427.549 2.444 0 40 IEAB O=S(=O)(NCCCN1CCOCC1)c1cc(Br)ccc1Br 19898258 FREAKVRWKSQTFB-UHFFFAOYSA-N 442.173 2.212 0 40 IEAB CN1[C@@H](CCC(=O)NCc2ccc(F)cc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccccc1 22922823 XCJDVUZSHVQPGR-ZDXQCDESSA-N 438.547 2.295 0 40 IEAB biogenic,in-vitro CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccc(Cn2cccn2)cc1 29231611 FRGTZAFNCYDZKL-QFIPXVFZSA-N 438.553 2.324 0 40 IEAB CCCNC(=O)[C@@H](C)NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 32868856 IXONOWVZKMTJAL-CQSZACIVSA-N 435.571 2.140 0 40 IEAB CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)c1 32926464 ZMLMRARITKLTAB-AWEZNQCLSA-N 439.559 2.236 0 40 IEAB O=C1CSc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2N1 32996099 GGFNJKKHGYJFNV-UHFFFAOYSA-N 433.511 2.004 0 40 IEAB O=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36357014 MPQRNUMOABUAQL-GOSISDBHSA-N 427.526 2.140 0 40 IEAB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)COc2ccccc2)c1 57328077 GQTKJMQGECOLRE-UHFFFAOYSA-N 429.498 2.202 0 40 IEAB CONS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cc(Cl)ccc3OC)C2)cc1 58227542 AMTASCNRGMTGKC-OAHLLOKOSA-N 439.921 2.197 0 40 IEAB COc1ccc(CN2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccccc4C(=O)N3)C2)c(OC)c1 72334352 XSDHFIOUMAROEL-BWKNWUBXSA-N 437.540 2.339 0 40 IEAB COc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1S(=O)(=O)N(C)Cc1ccccc1 79182861 ZVFPBDFHUDHIFQ-HNNXBMFYSA-N 446.525 2.340 0 40 IEAB CC(=O)O[C@H]1C[C@@H]2[C@@H](C)C(=O)[C@@]3([C@H](O)C[C@@H]4C(C)(C)CC[C@@H](OC(C)=O)[C@@]4(C)[C@@H]13)[C@@H]2O 95100259 LGRQSRYHHCUXCE-FDJYZMHQSA-N 436.545 2.259 0 40 IEAB COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 95477764 BWSAHWCPQLNWHO-NHCUHLMSSA-N 426.469 2.294 0 40 IEAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1OC 96231859 YBBXETIVGHYIGF-AWEZNQCLSA-N 444.513 2.488 0 40 IEAB CNC(=O)c1nc[nH]c1/N=c1\sc(C(=O)N2CCCCC2)c(N)n1-c1ccccc1 101387010 XENABUSSUYXLJH-QQTULTPQSA-N 425.518 2.062 0 40 IEAB CCc1cc2c(COC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc(=O)oc2cc1O 102129630 JUWIPFNZXFYUIN-IYBDPMFKSA-N 425.437 2.446 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCC[C@@H](C)C4)nc(=O)c32)c(OC)c1 139086760 NGDVEWOLZDDUGV-TZMCWYRMSA-N 441.488 2.088 0 40 IEAB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)NCCN(C)c1ccccc1)=C2C 219192396 HXCFCWOTHZGTAD-UHFFFAOYSA-N 445.541 2.467 0 40 IEAB Cc1cccc(N([C@H](C)C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(C)(=O)=O)c1 220132321 QPJCLLSQRAEBSS-OAHLLOKOSA-N 439.559 2.184 0 40 IEAB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222887751 QKZXYESTESNKAL-LJQANCHMSA-N 445.585 2.275 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)C3(c4ccccc4F)CCOCC3)C2)nc2c1CCNC2 257232442 GKVSAMUEUDPRGN-MRXNPFEDSA-N 439.535 2.367 0 40 IEAB Cc1cccc(OC[C@@]2(O)CN(CC3(O)CCN(c4ccccc4F)CC3)CC[C@@H]2O)c1 585283740 UKMIMWWYRHCGPT-ZCYQVOJMSA-N 444.547 2.342 0 40 IEAB Cc1cc(Br)cnc1-n1c(=O)nc2c(C)cc(Br)cn2c1=O 1857794824 WFBRCHVMXSZNGS-UHFFFAOYSA-N 426.068 2.382 0 40 IEAB CSCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12 8791901 GZYJGTSKUHDDQG-IBGZPJMESA-N 441.601 2.233 0 40 IEAB biogenic O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 8882558 RMFVZPVRONOGNX-SFHVURJKSA-N 447.582 2.027 0 40 IEAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCCC2)c1=O)CC[C@H](C)C3 9410724 KJSARNCMWUEJKJ-HNNXBMFYSA-N 433.574 2.399 0 40 IEAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(S(=O)(=O)N2CCCC2)cc1 9495759 CBIMOLMBNGCYML-FQEVSTJZSA-N 441.509 2.378 0 40 IEAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)O)cc1N(C)S(=O)(=O)c1ccc(F)cc1 9849121 ORFDXXKDNLSPRG-UHFFFAOYSA-N 444.506 2.021 0 40 IEAB COc1ccccc1[C@@H](C)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 10275079 VAHOTGGMFUAVBC-CQSZACIVSA-N 439.559 2.338 0 40 IEAB O=C(N1CCOCC1)N1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1 12184718 OLJNIOIATYQUMI-UHFFFAOYSA-N 437.529 2.236 0 40 IEAB CC(C)c1ccc(O[C@@H](C)C(=O)N2CCNC(=O)[C@H]2CC(=O)OC[C@H]2CCCO2)cc1 12404094 NNINEZJGCABUAM-PWIZWCRZSA-N 432.517 2.017 0 40 IEAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)cc3)cc2c1 13730340 YNFOVVXBZSXNLL-INIZCTEOSA-N 443.477 2.151 0 40 IEAB O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cc[nH]n3)[nH]c(=O)c2C1 19292547 SFBFZPNEQABDHR-IBGZPJMESA-N 438.532 2.325 0 40 IEAB O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)C1 19370121 PRAVMMUCUIRGTL-HXUWFJFHSA-N 429.524 2.282 0 40 IEAB COCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cccc(F)c4)C3)[nH]c(=O)c2C1 19593207 YDBUHSQCRPOUTK-QGZVFWFLSA-N 428.508 2.210 0 40 IEAB O=C(NCCO)c1sc2ccccc2c1[C@@H]1CN(CC(=O)N2CCCCC2)CCO1 19697573 POKLDWBXSDNTEO-KRWDZBQOSA-N 431.558 2.009 0 40 IEAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NCc3ccc(F)cc3)CC2)cc1 21151387 PHJGSVKATXOOKD-UHFFFAOYSA-N 439.495 2.228 0 40 IEAB COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(N4CCCC4=O)cc3)C2=O)cc1OC 22079808 WRKVUBCQGBMIMT-LJQANCHMSA-N 437.496 2.295 0 40 IEAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CN3CCOCC3)[C@H](c3ccccc3)C2)c1 23175919 JNPJCUBCQVXEII-NRFANRHFSA-N 442.541 2.068 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24609737 BJEIFMDVAXEILI-UHFFFAOYSA-N 434.489 2.413 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 32248675 IIBCOFOPWZBGKS-XUZZJYLKSA-N 434.540 2.232 0 40 IEAB CC[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C12CC3CC(CC(C3)C1)C2 36063219 IEFIMDFKBGXOHF-LWRBRJKYSA-N 435.590 2.263 0 40 IEAB O=C([C@H]1CCCO1)N1CCN(CC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)CC1 36386790 COLFSRHFHTXUKO-FYYLOGMGSA-N 435.524 2.477 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)ccn1 48312943 MOUREAJQRFFFMH-UHFFFAOYSA-N 425.514 2.218 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)Cn1nc2cc(-c3ccccn3)nc(C)n2c1=O 49407263 JJWVYSGGLYHZKX-UHFFFAOYSA-N 432.440 2.077 0 40 IEAB Cc1cc(N2CCN(C(=O)c3cnn4c(-c5ccccc5)ccnc34)CC2)n2ncnc2n1 58439516 KKPOQJFEDHKUMB-UHFFFAOYSA-N 439.483 2.105 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCCCN1Cc1nnc(-c2ccccc2Br)o1 58919320 DZORYWUUHKYDAO-LBPRGKRZSA-N 429.340 2.403 0 40 IEAB CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@@H](c3ccccc3OCC)NC(=O)N2)C1 67287865 KUPKEJMAXAJKGG-MGPUTAFESA-N 445.516 2.141 0 40 IEAB Cn1cc(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1C(N)=O 69950995 VYSRCJUNIWBRJC-UHFFFAOYSA-N 436.537 2.200 0 40 IEAB COCCOc1ncccc1C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 72291585 LVPQFDJGIKPORE-UHFFFAOYSA-N 428.533 2.010 0 40 IEAB CCOCCN1CCN(CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CC1 72312087 HTIVYDOCOXIKGZ-UHFFFAOYSA-N 426.565 2.264 0 40 IEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCCN1CCOCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 72339037 QRNRQACHRGPSAP-GOMRNUEMSA-N 427.545 2.170 0 40 IEAB CNc1cc([C@H]2CCCNC2)nc(CN(C)C(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)n1 72370170 LCJUBXNIGBQUNP-HNNXBMFYSA-N 438.532 2.367 0 40 IEAB CCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 104530079 BYDMVSJSMATFEA-HBFSDRIKSA-N 445.626 2.068 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC[C@H]1COc2ccccc2O1 225255731 NURLLNZSHPDWGC-INIZCTEOSA-N 446.525 2.440 0 40 IEAB CCS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)C[C@@H]3C=CCC3)nc2C1 253488327 AGVPGZVOALRXEF-CRAIPNDOSA-N 434.562 2.300 0 40 IEAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(C)nc(N2CCOCC2)n1 257324358 WOIKNBXXHKBDNK-JBYGMCGMSA-N 427.549 2.016 0 40 IEAB O=C(c1ccncc1)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 257336402 YOGBFAMTCKJFCZ-KRWDZBQOSA-N 438.509 2.377 0 40 IEAB COc1ccc(CN(C)C(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408704517 OVYAPIYRVNRPGD-HNNXBMFYSA-N 434.514 2.280 0 40 IEAB O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1)N1CCOCC1 409220912 HQIAXYNLMKNIJJ-MOSHPQCFSA-N 439.443 2.156 0 40 IEAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Br)cc3Cl)C(=O)[C@@H]12 409309001 ZYRZRZODHRHALK-VMUDFCTBSA-N 426.650 2.479 0 40 IEAB COC(=O)[C@H]1CCCN1C[C@@H]1CC2(CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CO1 585103721 ITZJUDSXRABGNU-LEWJYISDSA-N 446.544 2.353 0 40 IEAB CN1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCN(Cc2cnc3ccccn23)CC1 1772595334 NKJMTQHFDDHDIP-HSZRJFAPSA-N 444.583 2.285 0 40 IEAB Cc1cc(C)n(-c2cc(OCC3CCN(S(=O)(=O)c4c(C)n[nH]c4C)CC3)ncn2)n1 1775974018 JYSRXOUIUKERQL-UHFFFAOYSA-N 445.549 2.099 0 40 IEAB C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/CC#N)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 9033769 YTBSWTZLBNCNMW-RNBMDMPNSA-N 442.556 2.294 0 40 IEAB biogenic O=C(C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)N1CCc2ccccc2C1 9128066 GTGCNGWADLNDFJ-UHFFFAOYSA-N 442.537 2.443 0 40 IEAB O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)N[C@@H]1C=CS(=O)(=O)C1 9348588 OAHKVNRPNDSHDV-CKXDQPNJSA-N 426.903 2.193 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(C(C)=O)cc3)n2)cc1 9844534 JOGJEKRECGSMNU-UHFFFAOYSA-N 427.482 2.100 0 40 IEAB CCc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(OC)c(OC)c4)[C@H]3C2=O)cc1 10272389 GJYGAUGKTYFJKR-WOJBJXKFSA-N 437.456 2.198 0 40 IEAB CC1=NN(Cc2ccc(F)cc2)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 10357152 ADUUDOYVNZLSHB-UHFFFAOYSA-N 432.459 2.480 0 40 IEAB COc1ccc(-c2nnc3ccc(OCCNS(=O)(=O)c4cccs4)nn23)cc1 11694565 SSJHKLBIVPWEMW-UHFFFAOYSA-N 431.499 2.219 0 40 IEAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)c2ccc3c(c2)OCO3)c1=O 12072104 UKPCCWVENFSAOY-UHFFFAOYSA-N 431.452 2.108 0 40 IEAB Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 12792208 PFYBVLQPOVDKOA-DGCLKSJQSA-N 444.575 2.198 0 40 IEAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 13151060 VEHZSISVGBEGBR-FQEVSTJZSA-N 447.557 2.424 0 40 IEAB CCOc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1 13566656 HLNWUSMYRSKMRT-CQSZACIVSA-N 446.529 2.069 0 40 IEAB Cc1ccc(N2C(=O)N(CC(=O)N3CCN(C(=O)c4cccs4)CC3)C(=O)[C@H]2C)cc1 14136666 PAIJOTDNHWLOHW-MRXNPFEDSA-N 440.525 2.198 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2cc(-c3ccco3)on2)cc1 14766253 OVSGCWZIXOYEED-LBPRGKRZSA-N 433.442 2.303 0 40 IEAB COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c(OC)c1 15039904 WQXKJZALPPJCLM-UHFFFAOYSA-N 440.468 2.058 0 40 IEAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(C(F)(F)F)cc1)c(=O)n2C 15880399 ZLCVJMOZEAOYHH-UHFFFAOYSA-N 436.390 2.460 0 40 IEAB CCN(C(=O)[C@@H](C)OC(=O)c1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 16859833 GSDAOJHRFFXLGY-SJLPKXTDSA-N 433.530 2.070 0 40 IEAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)CC1 19085345 UIRSYTPTSXCBAT-QGZVFWFLSA-N 438.532 2.354 0 40 IEAB Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)CCn4cnnn4)C3)cc2)cc1 19212377 CFZNNQWNFNBNBZ-DEOSSOPVSA-N 432.528 2.375 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3C)C1)C2=O 19699936 UAPMLUQGQDWUMV-HXUWFJFHSA-N 426.561 2.325 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)COCc3nc4ccccc4[nH]3)C2)ncc1C(=O)N1CCCC1 19757748 PEYMCGNWIZEGTD-QGZVFWFLSA-N 448.527 2.430 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@H]3CCN(C(=O)c4cnc(C)cn4)C3)nc2C)c1 19758258 MOSQKSLQIUJDAV-SFHVURJKSA-N 446.511 2.452 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(C)ncc2C(=O)N2CCOCC2)cc1 19766471 GCPQTIYFBFHZQH-FQEVSTJZSA-N 444.557 2.482 0 40 IEAB Cc1nc(-c2cc3ccc(OCC(=O)N4CCC(C(N)=O)CC4)cc3oc2=O)cs1 20744452 MNFYTHYLNJHLKA-UHFFFAOYSA-N 427.482 2.328 0 40 IEAB Cc1cccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 22229531 LVRCLGZSCQXJAG-UHFFFAOYSA-N 429.542 2.467 0 40 IEAB COc1ccc(CN2CCN(CC(=O)N[C@H](C)c3ccc4c(c3)OCCO4)CC2)cc1 22810400 CNUWRWQLYLINGB-GOSISDBHSA-N 425.529 2.461 0 40 IEAB COc1cccc([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCOCC2)c1 23107058 FDPZENNFHBZYEZ-HXUWFJFHSA-N 431.920 2.155 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)CC1 24608057 QHXQPBZDDVOJDK-UHFFFAOYSA-N 447.488 2.302 0 40 IEAB Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)N2CCN(C=O)CC2)c2ccccc2n1C 27564071 SWWWRDILQIZTOL-XMMPIXPASA-N 430.508 2.333 0 40 IEAB CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)CC1 28200976 NXMFKFJNKHOEEB-UHFFFAOYSA-N 426.535 2.141 0 40 IEAB O=C1CCCc2[nH]c(=O)c(C(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)cc21 32373189 OPWBBKXTCAJMIH-LJQANCHMSA-N 429.904 2.351 0 40 IEAB CCOC(=O)c1c(NC(=O)CNc2ccc3c(c2)OCCO3)sc(C(=O)NC)c1C 32679575 FWBOVEBFPWPQRV-UHFFFAOYSA-N 433.486 2.415 0 40 IEAB CCOC(=O)c1nc(COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cs1 32913747 OCCDJBAHBASCMD-UHFFFAOYSA-N 432.907 2.385 0 40 IEAB CC(C)(C)NC(=O)[C@H]1N(C2CCCC2)C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@]3(C)C=C[C@]12O3 35313241 HYAMMVAHJFRONE-XBJFUPPCSA-N 443.588 2.443 0 40 IEAB O=C(CSc1ccc(C(=O)N2CCCC2)cn1)NCC(=O)Nc1ccc(F)c(F)c1 39553280 UXAMFTMHQAKZAH-UHFFFAOYSA-N 434.468 2.443 0 40 IEAB COc1ccc2[nH]cc(CCNC(=O)C(=O)Nc3cccc(C(=O)c4nccn4C)c3)c2c1 44902867 GOTDJWBXDVKJCX-UHFFFAOYSA-N 445.479 2.438 0 40 IEAB NC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)C1 72228500 SKAYMNFUWYZBEJ-MRXNPFEDSA-N 426.904 2.141 0 40 IEAB COC(=O)CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 72298141 MUKMJFFUBAWUQD-OAHLLOKOSA-N 440.452 2.391 0 40 IEAB C[C@H]1CCc2c(sc3nc(CCN4CCC([C@@]5(C)NC(=O)NC5=O)CC4)nc(N)c23)C1 72308907 KFDAYEYHOXTIAP-AMXDTQDGSA-N 442.589 2.251 0 40 IEAB CCC[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccccc1 78480243 GOJJHIYSDNVTBZ-XMSQKQJNSA-N 442.604 2.468 0 40 IEAB CN1C[C@H](NCc2nccn2C)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 96113512 QFLGFGUYXOLPLO-VQIMIIECSA-N 433.503 2.122 0 40 IEAB biogenic,in-vitro O=C(CN1CCN(Cc2nc3ccccc3s2)CC1)NC[C@H]1COc2ccccc2O1 96908291 BZGGPSBTGKAZLJ-KRWDZBQOSA-N 438.553 2.370 0 40 IEAB Cc1cc2nc([C@@H](C)NS(=O)(=O)c3cc(N4CCCC4=O)ccc3C)cc(O)n2n1 100217891 WMLTYNBRPDYXMH-CQSZACIVSA-N 429.502 2.218 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccccc2Cl)cc1OC 222684934 DIJRJXJXFDLYDL-UHFFFAOYSA-N 442.921 2.173 0 40 IEAB CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 225212098 BYPMINHKVLJGJV-MRXNPFEDSA-N 437.562 2.282 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225424474 OEKDETHKYMGSNC-KRWDZBQOSA-N 449.548 2.372 0 40 IEAB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(OC)c3)CC2=O)cc1 408649991 ACYUBDOFXMZOTP-INIZCTEOSA-N 440.452 2.407 0 40 IEAB Cc1c(C)[n+]([O-])c([C@@H](c2ccco2)C2C(=O)N(C)C(=O)N(C)C2=O)n1Cc1ccccc1 524735131 XSDSXBYTCWGADT-SFHVURJKSA-N 436.468 2.178 0 40 IEAB O=c1n(CCNS(=O)(=O)c2ccc(F)cc2F)nc(-c2ccc(F)cc2)n1C1CC1 585198928 BNNSDSWSFNJGRP-UHFFFAOYSA-N 438.431 2.443 0 40 IEAB COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(C2)CN(C2CCC(F)(F)CC2)C3)cc1 604381641 IUNXHMVYUVCNRH-LJQANCHMSA-N 435.515 2.484 0 40 IEAB biogenic,in-vitro COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604403999 HTUDXIQYUDRDPO-INIZCTEOSA-N 427.457 2.237 0 40 IEAB biogenic O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 3564675 WKDPOCNXHGIVIF-UHFFFAOYSA-N 442.493 2.314 0 40 IEAB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O 6190666 BITNSDDIECHEHD-AEFFLSMTSA-N 435.521 2.029 0 40 IEAB COc1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)NCc3cccnc3)nn2)cc1 8254194 QCCOIFVXUGDRON-SJBKTWHCSA-N 432.528 2.376 0 40 IEAB biogenic,in-vitro COc1ccc(CNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(OC)c2)cc1 8951356 UJFRJYOVOAZJAE-UHFFFAOYSA-N 435.484 2.111 0 40 IEAB COc1cccc(N2C[C@H](CNC(=O)c3ccccc3S(=O)(=O)C(F)F)OC2=O)c1 9106544 HRWRZNWUMXTKEY-AWEZNQCLSA-N 440.424 2.447 0 40 IEAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)s1 9698207 WBEGUBFJSCFFRB-UHFFFAOYSA-N 431.499 2.016 0 40 IEAB COc1cc(-c2nnc(NC(=O)c3cccc(S(C)(=O)=O)c3)o2)cc(OC)c1OC 9712708 PCRIIDHPPZLRNV-UHFFFAOYSA-N 433.442 2.418 0 40 IEAB Nc1c(C(=O)CSc2nnc(Nc3cccc(F)c3)s2)c(=O)[nH]c(=O)n1C1CC1 10220076 AIHHTPVWKKTGEU-UHFFFAOYSA-N 434.478 2.163 0 40 IEAB Cc1ccc2nc(C)c(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)n2c1 11027525 MRKYNERXTIODAY-UHFFFAOYSA-N 426.498 2.348 0 40 IEAB CNC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)cc1 12734665 RBKZXWRLWXJCRZ-NSHDSACASA-N 429.420 2.371 0 40 IEAB COc1cccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1OC 12875852 CWVZHDOZDKDGKF-MRXNPFEDSA-N 426.469 2.487 0 40 IEAB CCc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)CC2=O)c1 12978216 ZNFKBGUYIDYAGO-LJQANCHMSA-N 449.507 2.315 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1nc(-c2ccccc2)oc1=O 14095597 SSDMPORRYYEHFG-UHFFFAOYSA-N 445.273 2.329 0 40 IEAB Cc1c(S(=O)(=O)N2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cnn1C 19553891 NTYHAXWHGMQSEA-HNNXBMFYSA-N 435.550 2.347 0 40 IEAB CNc1nc([C@H]2CCCCN2C(C)=O)nc2c1CN(S(=O)(=O)c1ccccc1)CC2 19710567 PQOBNBNLTUJLND-LJQANCHMSA-N 429.546 2.339 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCO[C@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19762020 VKNVHRNEIPQUHN-IBGZPJMESA-N 444.513 2.304 0 40 IEAB COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(O)CC2)cc(OC)c1OC 23157962 BBCUGSBOBISPMI-INIZCTEOSA-N 434.518 2.377 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NCCCc1ccccc1 34856332 AZLGQEGHFTVLQC-UHFFFAOYSA-N 435.977 2.395 0 40 IEAB CNC(=O)Cc1csc(NC(=O)C2CCN(CC(=O)Nc3ccc(C)cc3C)CC2)n1 36709259 VQIOLWPOOQFANS-UHFFFAOYSA-N 443.573 2.338 0 40 IEAB COC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 67287819 IIINDTOBLKIMKF-JOCHJYFZSA-N 442.560 2.427 0 40 IEAB CCn1c(=O)[nH]c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2c1=O 69970042 FYYKDYPYHSMVGG-UHFFFAOYSA-N 432.436 2.485 0 40 IEAB O=C1N[C@]2(CC[C@@H]3CN(C(=O)c4ccoc4CN4CCOCC4)C[C@@H]32)Nc2ccccc21 72326872 FIQJKKHJTDKCOE-MTJJIEKYSA-N 436.512 2.146 0 40 IEAB COCCNC(=O)CN1C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc21 72342059 QJWWHPZWZKJOJU-JOCHJYFZSA-N 425.485 2.354 0 40 IEAB CC(C)NC(=O)N1CCC2(CC1)c1ncc(-c3ccccc3)n1CCN2S(C)(=O)=O 96263279 UKQKFONWSKHLNT-UHFFFAOYSA-N 431.562 2.234 0 40 IEAB COc1ccc(CN2C(=O)C[C@H](N3CCC(NC(=O)c4ccc(F)cc4)CC3)C2=O)cc1 96299803 FTYSTLICGKAMBN-NRFANRHFSA-N 439.487 2.356 0 40 IEAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)N1CCN(Cc2ccccc2F)CC1 104675229 AEXIMQHETOECOM-RDNZODCXSA-N 430.520 2.344 0 40 IEAB CCN1C(=O)[C@H]2CN(Cc3cccnc3)C[C@H]2C12CCN(C(=O)c1cscn1)CC2 107180602 GCMOAILOOUJYIS-ZWKOTPCHSA-N 425.558 2.123 0 40 IEAB COC(=O)CSc1nnc(NS(=O)(=O)c2ccc(SC)c(NC(C)=O)c2)s1 224445256 ZMBIPPGVCDZMGG-UHFFFAOYSA-N 448.573 2.284 0 40 IEAB S=C(NCCN1CCOCC1)Nc1nc(N2CCCCCC2)cc(N2CCCC2)n1 225903305 FWNSBDTYYWZHFW-UHFFFAOYSA-N 433.626 2.076 0 40 IEAB Cc1nc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)co1 257222125 DSALBHFUVUBYRG-FIXSFTCYSA-N 427.545 2.411 0 40 IEAB Cn1cnc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)c1 257287634 PQVDLJOGQHADNW-JXFKEZNVSA-N 446.935 2.232 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CC[C@](Cc2cc(-c3ccc(F)cc3)no2)(C(N)=O)C1 257338417 YXIORYYYTYGJBJ-HXUWFJFHSA-N 448.476 2.194 0 40 IEAB CC(C)N1CCc2c(C(=O)NCCN3CCOCC3)c3nc(-c4ccccc4)cnn3c2C1 306142103 WPNVGEKUCOKERA-UHFFFAOYSA-N 448.571 2.225 0 40 IEAB Cc1ccccc1Oc1ccc(S(=O)(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc1 390825857 JDVMQONSVLBVJN-UHFFFAOYSA-N 429.542 2.358 0 40 IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)c(C)c1 408636165 UMZHPOJESMAZOY-UHFFFAOYSA-N 431.558 2.411 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1 408657861 PNPUXXFDAYIYHV-AWEZNQCLSA-N 445.859 2.024 0 40 IEAB CCN1CCC(C(=O)N2CCN(C)CCCN(C(=O)COC)c3ccccc3C2)CC1 643554254 FAXIXHWPTSNGAI-UHFFFAOYSA-N 430.593 2.062 0 40 IEAB CCN(CC)CCCNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O 1792382 XDMBGGPMFOSZSC-UHFFFAOYSA-N 445.583 2.374 0 40 IEAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Nc1ccc2c(c1)CCC2 2649780 DBPATLLRJVCZBL-KRWDZBQOSA-N 436.464 2.481 0 40 IEAB O=C([C@H]1CN(C(=O)Cn2cnc3ccccc3c2=O)c2ccccc2O1)N1CCCCC1 8705298 HBJAHCVJRHHCRF-OAQYLSRUSA-N 432.480 2.203 0 40 IEAB COc1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1S(=O)(=O)N1CCCCC1 9284461 FUAXHMIFODNHES-UHFFFAOYSA-N 442.501 2.098 0 40 IEAB O=C(CSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2)c1ccccc1 9411128 RNRGOLUMJMSZCR-JKSUJKDBSA-N 430.507 2.373 0 40 IEAB NC(=O)c1nn(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c(=O)c2ccccc12 9462925 OWUMQHKEWFKWHP-UHFFFAOYSA-N 448.479 2.196 0 40 IEAB CCCNC(=O)NC(=O)COC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 9582577 PGOQUCWOOJIITE-WYMLVPIESA-N 445.497 2.492 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)Nc1ccc2c(c1)OCCO2 9660561 ZVVJHVAIPHZGSR-UHFFFAOYSA-N 444.447 2.016 0 40 IEAB Cc1nc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)nc(C)c1C 9662728 KTOAYECWAMFENR-UHFFFAOYSA-N 436.559 2.154 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc1Cl 11905005 PUBLQLZVFISXKW-NSHDSACASA-N 444.918 2.462 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1OC 12520924 CNLFPDPUJXHFDC-UHFFFAOYSA-N 426.516 2.289 0 40 IEAB Cc1cc2nnc(SCCCn3c(=O)c4c(ncn4C)n(C)c3=O)n2c2ccccc12 12535032 XIIHCFFEZCJSFL-UHFFFAOYSA-N 435.513 2.120 0 40 IEAB CC(C)(C)NC(=O)[C@H]1N(C2CCCC2)C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@]21O3 12642093 YQLYQETVFQLIKY-DFMTZNLUSA-N 443.588 2.443 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 12846419 VDAXQXDWYQRAMQ-UHFFFAOYSA-N 426.498 2.103 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)CO 12881858 RDIHDMDDFNZAPU-IFHIDZCZSA-N 433.574 2.063 0 40 IEAB biogenic CCOC(=O)c1ccc(S(=O)(=O)Oc2ccccc2C(N)=O)c(Br)c1 13006440 QDRHKXWVTWRIAB-UHFFFAOYSA-N 428.260 2.492 0 40 IEAB CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 13085179 XNHOXVQQJOXMSK-QFIPXVFZSA-N 440.519 2.363 0 40 IEAB CCN(CC)C(=O)CSc1nnc(CN(c2ccc(C)cc2)S(C)(=O)=O)n1C 15019670 OKEXQYZGCISCIU-UHFFFAOYSA-N 425.580 2.050 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 17320673 KEIYYKYIAQRZRI-UHFFFAOYSA-N 438.889 2.020 0 40 IEAB CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CN(Cc2c(C)nn(C)c2OC)CCO1 19577965 XSKPHZJXOJTYIT-VWLOTQADSA-N 449.555 2.359 0 40 IEAB CCOC(=O)C[C@@H]1CCN(C(=O)NC2CCCCC2)C[C@@H]1CCN1CCC[C@H]1C(N)=O 20462860 VODQUMHBCWZLNO-BJLQDIEVSA-N 436.597 2.260 0 40 IEAB biogenic,in-vitro COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cc3c(cc2Cl)OCCO3)c1 32632535 KUXJYLUMNDVMSO-UHFFFAOYSA-N 441.845 2.485 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1C 35262618 MTDUNLXFTFCWGC-FQEVSTJZSA-N 425.485 2.001 0 40 IEAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCN(Cc3cccnc3)CC1)cn2CC(=O)O 36357910 HCBWUYKZLVFRCR-JOCHJYFZSA-N 438.484 2.073 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)c1C 58166017 SNQWXABXQKWGKD-UHFFFAOYSA-N 435.571 2.227 0 40 IEAB Cc1ccc(-n2nc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCCCC3)c3c2CCC3)cc1 60362649 DKPYAJFGSATEMS-CTNGQTDRSA-N 442.585 2.051 0 40 IEAB COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2nccn2C)nc1C 72345385 GRYZFJRCECXMNF-SFHVURJKSA-N 434.500 2.434 0 40 IEAB O=C(O)c1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC3CC3)c(Cl)cc2F)c1 84380064 ZTSGDWPCWOYNSU-UHFFFAOYSA-N 448.881 2.419 0 40 IEAB CC[C@@H](CCO)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 84733381 ATXJRPZANIZPGB-AWEZNQCLSA-N 447.488 2.359 0 40 IEAB O=C(c1cnccn1)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 96145199 YJAROWIKGAMAJQ-UHFFFAOYSA-N 442.541 2.192 0 40 IEAB Cc1ccc([C@H]2Cn3nnc(C(=O)N4CCC(C(=O)NCC(C)C)CC4)c3CO2)cc1 97943692 RGTNUOCVMXWIFW-HXUWFJFHSA-N 425.533 2.482 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1Cl 100033096 PGIKYWJVLCQYQP-SJORKVTESA-N 431.811 2.420 0 40 IEAB O=C1C[C@H](OC(=O)[C@@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1 100497703 GVVQQMCVESSDBW-PMACEKPBSA-N 434.448 2.358 0 40 IEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1OC 223582783 WQDGDGBSPRLQNO-UHFFFAOYSA-N 435.458 2.250 0 40 IEAB COC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224810939 JKQFTJAVVPAFMN-UHFFFAOYSA-N 437.470 2.167 0 40 IEAB Cc1nccn1-c1ccccc1CNS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 225769708 KGPGIQOPCSEBSB-UHFFFAOYSA-N 434.547 2.495 0 40 IEAB COc1cccc(NC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 225836673 YZWXGGCTVZGPSU-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4[C@H]3Sc3[nH]c(=O)sc3C4(C)C)[C@H]2C1=O 238950522 YMLJWSIWMJJMGD-KFOMTVSFSA-N 436.555 2.165 0 40 IEAB O=C1CN2CCN(C(=O)c3cncnc3)C[C@H]2COc2ccc(-c3ccccc3)cc2N1 1772594611 PSHBURQFJACDCC-FQEVSTJZSA-N 429.480 2.301 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)O)cc2)cc1 3634323 KQWJDELWBIHFNL-XWSJACJDSA-N 428.466 2.389 0 40 IEAB C[C@H]1CN(C(=O)COC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C[C@H](C)O1 6343433 APFVPAAJDBCMHG-KBPBESRZSA-N 438.527 2.342 0 40 IEAB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cnn1-c1ccccc1 10443503 AWAYNIHHGJTLQX-UHFFFAOYSA-N 428.489 2.467 0 40 IEAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21 11403017 HZKONLIMMGVTLC-UHFFFAOYSA-N 448.401 2.196 0 40 IEAB O=C(CSc1nnc2n1CCCCC2)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 12600881 KHKSTJAEWGNBQC-QGZVFWFLSA-N 434.587 2.313 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nc(C)c4ccccc4c3=O)CC2)c(C)c1 12944428 CAHXGLRYVDSOBA-UHFFFAOYSA-N 426.542 2.286 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(CC(=O)N3CCSCC3)cs2)cc1 13691710 KGFLCUYTHAPVNN-UHFFFAOYSA-N 440.572 2.020 0 40 IEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(=O)NC3Cc4ccccc4C3)cc2)no1 13693187 VXUIMUAQPKBLCV-UHFFFAOYSA-N 440.481 2.006 0 40 IEAB Cc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)Nc1ccc(N2CCOCC2)cc1 15935691 WTQFMRUOUXQQTC-SSEXGKCCSA-N 429.542 2.466 0 40 IEAB CCN1CCN(c2sc(S(=O)(=O)CC)nc2S(=O)(=O)c2ccc(C)cc2)CC1 17288676 RPTATIVTRZOXLA-UHFFFAOYSA-N 443.616 2.220 0 40 IEAB COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)Nc2cccc3nsnc23)C1=O 19078338 WUNOZMUNOVUYTO-FQEVSTJZSA-N 425.470 2.192 0 40 IEAB CNc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)s1 19764013 DDHZSSQJNKGBKX-OAHLLOKOSA-N 444.561 2.084 0 40 IEAB COc1ccc(N2C(=O)/C(=C/N[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c(OC)c1 19881322 PDDXXBCNVRDFIM-QCUKBLKESA-N 442.493 2.008 0 40 IEAB CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCN(C)C)s1 20414504 NUXQAXRVDVGXMS-UHFFFAOYSA-N 431.605 2.442 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20768750 CBYKYEUOQMMFHF-UHFFFAOYSA-N 442.534 2.487 0 40 IEAB CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)CC1 22246950 GBYWZZNQHWHXRX-HXUWFJFHSA-N 445.585 2.057 0 40 IEAB O=C(NCCCn1ccnc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 22247127 CVKGULNUXUQUSS-HXUWFJFHSA-N 430.505 2.118 0 40 IEAB C[C@@H](NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22330795 NJNJZBDFRLBOHS-CYBMUJFWSA-N 444.962 2.387 0 40 IEAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCc1cn2ccccc2n1 23320329 WPLJGNCWDLJUHB-GOSISDBHSA-N 439.541 2.291 0 40 IEAB CCOC(=O)C1=C(CN(C)Cc2ccc3c(c2)OCCO3)NC(=O)N[C@H]1c1ccco1 26853921 XJZORUHXGIPXLD-FQEVSTJZSA-N 427.457 2.354 0 40 IEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCS(=O)(=O)c1ccc(C)cc1 32983153 QDKUHMODBRVINO-UHFFFAOYSA-N 443.525 2.071 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 38946958 RDQXOKBPBNPOCJ-SFTDATJTSA-N 444.528 2.464 0 40 IEAB CC(=O)N1CCN(C(=O)[C@H](C)S(=O)(=O)Cc2csc(C3CCCCC3)n2)CC1 40106431 VXHRPZPTFVHHPE-AWEZNQCLSA-N 427.592 2.185 0 40 IEAB CS(=O)(=O)c1n[nH]c(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)n1 58099174 XQDVENSGHUKOJF-UHFFFAOYSA-N 425.879 2.428 0 40 IEAB CN(CCN1CCOCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 58391649 HMTDVOQUZLPTPO-QFIPXVFZSA-N 425.529 2.315 0 40 IEAB O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)[C@@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656039 QLOOTXNNJRUSSO-QGZVFWFLSA-N 442.483 2.268 0 40 IEAB COc1ccc2c(c1)NC1(CCN(C(=O)C3=Cc4ccccc4OC3)CC1)NS2(=O)=O 72327970 ZWGNJFCEFWXZIO-UHFFFAOYSA-N 441.509 2.194 0 40 IEAB CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2csc3c2CCCC3)CC1 72337577 SXJZBGUKMYOVFA-UHFFFAOYSA-N 445.570 2.488 0 40 IEAB CC(C)c1cc(C(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)n(C)n1 72394932 CSBMLXJBKWIQTK-WMZOPIPTSA-N 427.549 2.013 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)NCCn1nc(C2CC2)n(-c2ccccc2)c1=O 77198174 FEYGEVUCHHGKQW-UHFFFAOYSA-N 432.477 2.038 0 40 IEAB NC(=O)NC(=O)C1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 79106112 GEXFTTJHEZWHGM-UHFFFAOYSA-N 434.294 2.118 0 40 IEAB Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)C2)n1 84229557 OIFJKVKUIHXLRP-YLAKUSLOSA-N 445.589 2.293 0 40 IEAB O=C(c1c[nH]cn1)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 96263533 GLRWXMSSULBSMZ-UHFFFAOYSA-N 430.530 2.125 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)[C@@H](C)c3nn(C)c(=O)c4ccccc34)cc2n1 100139001 XMZQIISXUXIRPO-KSSFIOAISA-N 432.484 2.457 0 40 IEAB O=C(NC1CCCCC1)[C@H]1N(Cc2ccccc2)C(=O)[C@H]2[C@@H](C(=O)NC3CC3)[C@H]3C=C[C@@]21O3 100432013 KVXGJFXNCYBZOS-DCYXXNAWSA-N 449.551 2.065 0 40 IEAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)cc(Cl)c1OCC(=O)OC 106744706 AIQDDDUNVHIOKR-QPEQYQDCSA-N 443.861 2.500 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223672390 WCZICSITHAAGRC-LJQANCHMSA-N 445.585 2.477 0 40 IEAB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224799346 ZYQVDBJWWPNCTI-UHFFFAOYSA-N 439.486 2.479 0 40 IEAB O=C1CCCC[C@]2(CN(Cc3ccnc(N4CCOCC4)n3)C[C@H]2c2cccc(F)c2)N1 257303137 SFYDIQDSDYSUSH-XUZZJYLKSA-N 439.535 2.481 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(CC(N)=O)cc2)C1 260752154 XOAKHNBEADCDOG-KRWDZBQOSA-N 445.541 2.071 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NC[C@@H]2CCN(C3CC3)C2)cc1 595404603 XBYRQLUXVKYVFP-UWJYYQICSA-N 433.574 2.033 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(Cc1nccs1)C2 1549167866 RVMSIVJRYTUFFA-FQEVSTJZSA-N 440.569 2.204 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(S(=O)(=O)Cc5ccccc5)C[C@H]4C3)ncn2)n1 2086896871 RFIOAAZLXCNOIQ-WOJBJXKFSA-N 438.557 2.177 0 40 IEAB C[C@@H](OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCCc2ccccc21 3312029 IYIDJKGWJJIGIZ-LCJXNMAOSA-N 428.510 2.488 0 40 IEAB Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2n1C 8670443 KENHJKZIEBPMNF-UHFFFAOYSA-N 427.526 2.438 0 40 IEAB COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1S(=O)(=O)NC1CCCC1 9478185 HCJMOLODTIWWMD-KRWDZBQOSA-N 446.525 2.486 0 40 IEAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)[C@H]1CCCN1S(=O)(=O)c1cccs1 9701637 JKTHDQZLEDCJLU-GFCCVEGCSA-N 448.482 2.319 0 40 IEAB CCCn1c(N)c(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(=O)[nH]c1=O 9813209 ZPKUTFLDOHRVOM-UHFFFAOYSA-N 432.531 2.159 0 40 IEAB COc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11996947 OQXOXXRBHVEGOB-CYBMUJFWSA-N 433.515 2.331 0 40 IEAB CCOc1ccc2c(c1)SC1=N[C@@](C(=O)OC)(C(F)(F)F)N=C(N3CCOCC3)N12 12412268 AREUBTVKKCKFGW-KRWDZBQOSA-N 444.435 2.487 0 40 IEAB Cc1cccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)c1 12467001 NWAMPPARWQDKEE-UHFFFAOYSA-N 441.488 2.235 0 40 IEAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13018700 VIWRTDKUMPRFCG-UHFFFAOYSA-N 427.482 2.096 0 40 IEAB CSCC[C@H](NC(N)=O)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 15383410 SBHAXAXEGDFXFC-LBPRGKRZSA-N 439.891 2.192 0 40 IEAB O=C(OCC(=O)N1CCN(c2ccccc2F)CC1)[C@@H]1CCCN1C(=O)c1cccs1 18247899 MKBJUZFLGCXNFI-SFHVURJKSA-N 445.516 2.384 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC([C@H]3C[C@H](C(=O)NC(C)C)CN3C)CC2)cc1F 19449764 LCVYUFBTBAOGQV-QFBILLFUSA-N 441.569 2.080 0 40 IEAB COc1ccc(OC)c(C(=O)N2CC[C@@H](c3nc(-c4cccnc4OC)cc(=O)[nH]3)C2)c1 19551009 BFYMDGHNCWIWSF-CQSZACIVSA-N 436.468 2.487 0 40 IEAB O=S(=O)(N1CCOCC1)N1CC[C@@H](c2cc(COc3cccc(Cl)c3)[nH]n2)C1 19704601 CUXJASPUJDUBLG-CQSZACIVSA-N 426.926 2.008 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 19709924 OZXRTSPDTSTVND-IBGZPJMESA-N 431.562 2.437 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N(C)Cc1nc([C@H]2CCCNC2)cc(N(C)C)n1 19710026 GOQBUHOAOGGDES-INIZCTEOSA-N 433.578 2.147 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)CCC3=NNC(=O)CC3)C2)ncc1C(=O)Nc1ccccc1 19766059 ZEXYAVDAEXPMMK-INIZCTEOSA-N 434.500 2.399 0 40 IEAB Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C)n1 19766946 TTYNRLSHNDPCEU-GOSISDBHSA-N 448.520 2.231 0 40 IEAB Cc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1 20140636 UXSQYLZPGDXOHH-PZJWPPBQSA-N 436.516 2.301 0 40 IEAB Cc1ccc(N2C(=O)N(CC(=O)NCC3(N4CCOCC4)CCCCC3)C(=O)[C@H]2C)cc1 20937923 YQMCZFBQBFURAT-LJQANCHMSA-N 442.560 2.303 0 40 IEAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](C(CC)CC)N2CCOCC2)c1 22899166 OMLHECVDQJLTRM-FQEVSTJZSA-N 425.595 2.160 0 40 IEAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 23120937 IBQXOZSRUYDZDB-NRFANRHFSA-N 445.907 2.036 0 40 IEAB CNC(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)c1 25625183 SWFRIIPSODDATO-UHFFFAOYSA-N 441.509 2.356 0 40 IEAB C[C@@H](OC(=O)CC[C@H]1NC(=O)NC1=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 32689193 FFHDZCMCBAVKCY-UKRRQHHQSA-N 441.488 2.028 0 40 IEAB Cc1ccc(CN(C)C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)o1 32810753 VEIVMQOJTQXNAR-UHFFFAOYSA-N 447.513 2.329 0 40 IEAB C[C@H](NC(N)=O)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 32991024 DWXUHFYTZLZEEZ-QJZKUFFDSA-N 431.301 2.203 0 40 IEAB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 33566970 ACXJTUFXDQTSOJ-UHFFFAOYSA-N 443.485 2.338 0 40 IEAB CS(=O)(=O)N1CCN(C(=O)Cn2ccc3cc(OCc4ccccc4)ccc32)CC1 36364961 ZRLDMDHJPFHFSZ-UHFFFAOYSA-N 427.526 2.324 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)o1 40154140 TXNKWNVIUIWGQE-UHFFFAOYSA-N 446.485 2.013 0 40 IEAB CC[C@H](NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(OC)c(OC)c1 44856879 KDLUBAUWZREAGI-YWZLYKJASA-N 434.514 2.498 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C)c(=O)c2c1c(-c1ccccc1)cn2C 67235251 MFXCQDSWHJENPW-UHFFFAOYSA-N 446.463 2.131 0 40 IEAB CCOC(=O)[C@H]1CCc2sc(NC(=O)[C@H]3COCC(=O)N3Cc3ccccc3)nc21 77197628 NZEFXEDYCJYORW-LSDHHAIUSA-N 429.498 2.102 0 40 IEAB C[C@@H](C(=O)Nc1nn(-c2ncccn2)cc1Br)N1C(=O)c2ccccc2C1=O 84001937 OVBDWSFZTXJWOY-JTQLQIEISA-N 441.245 2.048 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 222757185 CVLDDDFZKVESIE-UHFFFAOYSA-N 446.934 2.170 0 40 IEAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)cc1 222872095 ZQWVUVHSUIONRQ-FQEVSTJZSA-N 446.525 2.275 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224342708 UQEYHTBXFYHEEE-UHFFFAOYSA-N 438.571 2.445 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 225424113 CDVDXDPUPVNXDE-KRWDZBQOSA-N 449.548 2.372 0 40 IEAB CCNC(=O)Cc1c(C)nc([C@H]2CCN(C(=O)c3ccc(OC)cc3OC)C2)nc1C 257313622 UTKBLWZKLNHWJK-INIZCTEOSA-N 426.517 2.419 0 40 IEAB CN1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 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IEAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9442432 IIEGBFHSTILEJZ-UHFFFAOYSA-N 448.545 2.054 0 40 IEAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ncccc32)c(OC)c1 9660557 JAYFLTCWNIHLPW-UHFFFAOYSA-N 446.463 2.262 0 40 IEAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1 10727666 MFJZWCPIXQKNQT-UHFFFAOYSA-N 426.878 2.394 0 40 IEAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 10960952 KUDYARMABYPLHR-UHFFFAOYSA-N 429.260 2.018 0 40 IEAB CCOc1ccc(NC(=O)CSc2nc(C)n[nH]2)cc1S(=O)(=O)N1CCCCC1 11706212 GLMWTTPCMPGAMZ-UHFFFAOYSA-N 439.563 2.417 0 40 IEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2csc(C)c2)C[C@@H]1C(=O)N(C)C 12125564 WCLQAZYBYXMZJK-XXBNENTESA-N 441.553 2.340 0 40 IEAB CCN(CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 12745675 ZLNXVGDJZVVCNF-NFBKMPQASA-N 441.553 2.143 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1 12973575 SGDYQWVHUNPXSN-UHFFFAOYSA-N 433.324 2.221 0 40 IEAB COc1ccc(-c2nc3n(n2)[C@H](c2ccc4c(c2)OCO4)C(C(N)=O)=C(C)N3)cc1OC 17243495 RLCFSLJEBJNEJG-LJQANCHMSA-N 435.440 2.465 0 40 IEAB C[C@H](CN1CCOCC1)C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 19456306 QRCZFYHVOQAFOD-GOSISDBHSA-N 443.567 2.275 0 40 IEAB COc1cc(C(=O)N2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)cc(OC)c1OC 19549481 HCDJPQOIMMVZGX-CQSZACIVSA-N 436.468 2.487 0 40 IEAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@@H]2N(C(=O)CN2CCCC2=O)C3)cc1OC 19561647 DPTZCCCGWKSFDX-IRXDYDNUSA-N 439.516 2.411 0 40 IEAB Cc1nc(CN(C)C(=O)COC[C@H]2CCCO2)nc2c1CCC(=O)N2Cc1ccccc1 19698604 GIBRSBVOYXLXNG-LJQANCHMSA-N 438.528 2.418 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(F)c3)C1)C2=O 19699716 JEZPQVMTAZZALF-FQEVSTJZSA-N 444.551 2.402 0 40 IEAB CCOc1ccc(-c2nnc3sc(NC(=O)CN4C(=O)c5ccccc5C4=O)nn23)cc1 41108805 LPTRNCYPTIPCTO-UHFFFAOYSA-N 448.464 2.486 0 40 IEAB Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)cc1 72334972 RGQIVDWWBYSFSU-NVXWUHKLSA-N 427.530 2.346 0 40 IEAB CCCN1CCN(C(=O)CCn2cnnn2)[C@H](Cc2cccc(-c3cccs3)c2)C1=O 72351783 RDHPRTITVLQGDD-LJQANCHMSA-N 438.557 2.484 0 40 IEAB Cn1nc(C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)n(-c2ccccc2)c1=O 77100645 WGOPQICIZNGJJA-UHFFFAOYSA-N 449.511 2.160 0 40 IEAB Cn1nc(N2CCC[C@@H](C(=O)N3CCN(c4ccc(F)c(Cl)c4)CC3)C2)ccc1=O 90592438 ZXIVRDQFAKMOHK-OAHLLOKOSA-N 433.915 2.138 0 40 IEAB COc1cc2c(cc1CNC(=O)CN(C1CC1)S(=O)(=O)c1ccccc1)OCCCO2 101166479 VGCWYGYOSPVPMV-UHFFFAOYSA-N 446.525 2.326 0 40 IEAB CCc1cccc2c1NC(=O)[C@]21N[C@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 105348845 FIWJEROXCFEZOZ-SLCVKKPGSA-N 425.529 2.073 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)c2cc(OC)ccc2OC)Oc2ccccc21 225135781 ZGPXNOHIRGMSEM-XOBRGWDASA-N 434.514 2.498 0 40 IEAB COc1ccc([C@H](CC(=O)NCCc2ccc(OC)c(OC)c2)NS(C)(=O)=O)cc1 225954951 VFNWVBPAFHCQID-SFHVURJKSA-N 436.530 2.052 0 40 IEAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)CN(Cc3ccc(F)cc3)S(C)(=O)=O)c2)n1 226060495 UDKWUDCNELBDOS-UHFFFAOYSA-N 444.488 2.285 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCC3)[C@]3(C)C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1 245229747 FBXMFZTWOZKAKG-QCWVNVONSA-N 443.588 2.443 0 40 IEAB Cc1nc2cc([C@H]3CCN(C(=O)c4cccnc4)C3)nn2c(O)c1CCC(=O)NC(C)C 257208528 BMNJRAGMGYLHFW-KRWDZBQOSA-N 436.516 2.225 0 40 IEAB O=C(COc1ccc(/C=c2/sc3n(c2=O)CCCN=3)cc1)Nc1cccc(Cl)c1 408823049 DGTBLGRXNGHPGJ-WOJGMQOQSA-N 427.913 2.433 0 40 IEAB C[C@@]12CCC3(CC1=CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C1(CO)OCCO1)OCCO3 504454983 WHPHCSOODSGESM-WHOODXFESA-N 448.556 2.338 0 40 IEAB in-vitro C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)c1cc(F)cc(F)c1)CC2 643564707 BLXSKCKEKIIKBY-HNNXBMFYSA-N 437.487 2.009 0 40 IEAB Cc1ccc2ccccc2c1CSc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 4723122 NSYRTUCJWAVRER-YNFBMLRVSA-N 438.509 2.192 0 40 IEAB Cc1nc(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c2ccccc2n1 9255205 UNEXBCOYITUPOW-HZPDHXFCSA-N 435.571 2.225 0 40 IEAB CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCN(c4ccccc4)CC3)ccc12 9489622 MSBXMODEUDTYAP-UHFFFAOYSA-N 449.507 2.292 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(F)c4)[C@H]3C2=O)cc1Cl 9674953 NJPSNMPAABTJEO-DLBZAZTESA-N 431.811 2.420 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@]12C(=O)Nc1ccccc12 9742753 BRZROGOCQWBAMT-RUZDIDTESA-N 443.459 2.179 0 40 IEAB O=C(OCc1nnc(-c2ccccc2)o1)c1cccc(S(=O)(=O)N2CCOCC2)c1 10733620 LAJUDOJWFDIUJH-UHFFFAOYSA-N 429.454 2.115 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3ccccc3)CC2)c(C)c1 10898128 FKDJXQVMNUQXLK-PKNBQFBNSA-N 442.537 2.393 0 40 IEAB COc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 11665881 JCZGPHJFFCIARC-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCc2ccccc21 12609082 KAULNWSAOSZSLU-QGZVFWFLSA-N 429.542 2.487 0 40 IEAB O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NC(=O)NC1CCCC1 12622522 DZESJPSUPURSNN-HNNXBMFYSA-N 430.530 2.436 0 40 IEAB Cc1c(C(=O)N2CCC(NS(C)(=O)=O)CC2)cnn1-c1ccc(Br)cc1 12734643 DGNYITHPSUNTKZ-UHFFFAOYSA-N 441.351 2.097 0 40 IEAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)C2=NN(C)C(=O)CC2)CC1 12944542 UXQATVCBERIALA-UHFFFAOYSA-N 448.589 2.042 0 40 IEAB COC(=O)c1sccc1NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21 13992268 BOHHMCUQZHTYEG-UHFFFAOYSA-N 439.449 2.291 0 40 IEAB O=C(CN1C(=O)COc2ccccc21)N(CCCN1CCOCC1)C[C@H]1CC=CCC1 19375602 ADJPJCMXRYGGMU-FQEVSTJZSA-N 427.545 2.319 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3OCC)C1)C2=O 19700012 RHPAPGLSRPDYPF-SFHVURJKSA-N 442.560 2.486 0 40 IEAB CNc1nc(C2CCN(C)CC2)nc2c1CN(S(=O)(=O)CCc1ccccc1)CC2 19711379 WXJUMGPHWWCDHP-UHFFFAOYSA-N 429.590 2.258 0 40 IEAB Cc1cc(C(=O)N2CC[C@](Cc3cc(C4CCCCC4)no3)(C(N)=O)C2)nc(N(C)C)n1 19739159 CCKBOJOIPDPKLS-HSZRJFAPSA-N 440.548 2.447 0 40 IEAB Cc1nc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)ncc1C(=O)Nc1ccc(F)cc1 19755509 BUCMEGCTEXHOKJ-QGZVFWFLSA-N 444.492 2.436 0 40 IEAB CNC(=O)c1cnc([C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)C(C)(C)O4)C2)nc1C 19763585 GTTBBSRPOYUPBP-OAHLLOKOSA-N 437.500 2.274 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1 21351675 AGXVIFAZJDLQHQ-CQSZACIVSA-N 429.502 2.007 0 40 IEAB Cc1cc(C)n(-c2ccc(SCC(=O)NCC(=O)Nc3ccc(F)c(F)c3)nn2)n1 21562645 QAEKLPNWDPOFLV-UHFFFAOYSA-N 432.456 2.404 0 40 IEAB O=C(CSc1nnc(N2CCOCC2)n1C1CC1)NCCOc1ccc(Cl)cc1 21690773 QHUYMKZJDVSAMM-UHFFFAOYSA-N 437.953 2.390 0 40 IEAB COc1ccc(CN(C)Cn2nc(CCC(N)=O)n(C[C@@H]3CCCO3)c2=S)cc1F 24446046 SFFXCHHQQYVDFW-HNNXBMFYSA-N 437.541 2.248 0 40 IEAB NC(=O)CNC(=O)c1cccc(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c1 29375103 MTAVIXDUXALZOJ-UHFFFAOYSA-N 443.463 2.381 0 40 IEAB CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2cccs2)cc1 32824400 HSFKOYXSIHCUQE-UHFFFAOYSA-N 438.527 2.437 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 36332540 ZVOLTYIDSBUGJJ-QPJJXVBHSA-N 439.537 2.360 0 40 IEAB COCCCn1c(=O)c2ccccc2n(CC(=O)NCc2ccc(F)c(Cl)c2)c1=O 44841238 JFSIMZVNCHNSJP-UHFFFAOYSA-N 433.867 2.309 0 40 IEAB CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O[C@@H](C)C(=O)OC)cn3C2CC2)CC1 51364273 NDZNVAUXCKENML-AWEZNQCLSA-N 445.491 2.336 0 40 IEAB CCCN1CCN(c2ncc(S(=O)(=O)c3ccc(OC)c(Cl)c3)c(N)n2)CC1 67336080 CKQAAWILWOKAFJ-UHFFFAOYSA-N 425.942 2.086 0 40 IEAB Ic1cccc(-c2nn3c(CN4CCOCC4)nnc3s2)c1 71260501 PXDNBQIVUIECJK-UHFFFAOYSA-N 427.271 2.290 0 40 IEAB O=C(NCc1cccc(CN2CCOCC2)c1)[C@H]1CCCN1C(=O)Cc1cccs1 72273062 POCWRNPVFLVLPM-OAQYLSRUSA-N 427.570 2.430 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N[C@H](C)CCc1cccn1C 78947246 NUOLPONAYJSOGD-RDTXWAMCSA-N 449.602 2.470 0 40 IEAB C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCc2c(ncn2CCc2ccccc2)C1 95454687 GARSLQOSCNWUNS-HXUWFJFHSA-N 445.571 2.011 0 40 IEAB COc1ccc(NC(=O)c2cc(F)cc(Cl)c2O)cc1S(=O)(=O)N1CCOCC1 95963340 ZXRWTVKSVWSGGW-UHFFFAOYSA-N 444.868 2.467 0 40 IEAB COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(Cc4ccccn4)CC3)O2)cc1 96036700 NVESNHBTKSILBI-JOCHJYFZSA-N 447.539 2.493 0 40 IEAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2cccc(C)c2)CC3)C1=O 96144435 GHBABAYMQHOJMG-DEOSSOPVSA-N 426.561 2.453 0 40 IEAB O=C1N[C@@](Nc2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1CCC1=CN[C@H]2C=CC=C[C@H]12 101675968 OYISWBUZQIPFQV-IIYDPXPESA-N 440.813 2.340 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)c1ccccc1F 224401516 VCWRYDDGVAGSFX-UHFFFAOYSA-N 449.548 2.303 0 40 IEAB Cc1cc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1N1CCCC1=O 224569260 QYPSMSZUDZAJOC-UHFFFAOYSA-N 443.569 2.433 0 40 IEAB COc1cccc(-c2noc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)c1 225572426 FFKPYQSRPQBCCM-UHFFFAOYSA-N 442.497 2.460 0 40 IEAB COc1ccc(CCC(=O)N[C@H](CN2C(=O)COC2=O)c2ccccc2)c(OC)c1OC 225635996 VITOPIAJPAQKOV-QGZVFWFLSA-N 442.468 2.481 0 40 IEAB C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@@H]1[C@@H](C[C@H]3C)C1(C)C 238790964 VDJHFHXMUKFKET-KGKDXTFMSA-N 430.541 2.332 0 40 IEAB biogenic,in-vitro COCCN1CCN(C(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3N2)CC1 253595686 HKYLUSLOVIEYBY-DLQDVTGGSA-N 426.561 2.155 0 40 IEAB CC(=O)N1[C@@H]2CN(C(=O)c3cc(C)nc(N4CCOCC4)n3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257210296 BTZQGPUPLAVYCP-JBYGMCGMSA-N 427.549 2.016 0 40 IEAB COCC(=O)N1C[C@@H](c2ccnn2C(C)C)[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 306135876 PDNJEUGPPPEVBJ-WMZHIEFXSA-N 425.533 2.240 0 40 IEAB Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c1 408615153 MRROAIJAKZOUPV-MSOLQXFVSA-N 439.512 2.171 0 40 IEAB COc1ccccc1N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(C)(=O)=O 408622960 XBRHELGEYZZMQR-UHFFFAOYSA-N 431.558 2.427 0 40 IEAB CN1CCN(c2ccc(NC(=O)c3cc(Cn4cc(Br)cn4)on3)cn2)CC1 503343048 VUQHROVYDBRMGF-UHFFFAOYSA-N 446.309 2.081 0 40 IEAB O=S(=O)(c1ccc2nc(O)[nH]c2c1)N1CCN(c2ncc(Cl)cc2Cl)CC1 515758218 HKEJVFOOMRJDBF-UHFFFAOYSA-N 428.301 2.481 0 40 IEAB COCCn1c(C(=O)NCCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc2ccccc21 524731973 RHOAKFCREJFSST-QUCCMNQESA-N 434.540 2.299 0 40 IEAB biogenic COCCCN1C(=O)/C(=C/c2cn(C)nc2C)N=C1SCC(=O)NCc1ccccc1 2785875 NLLFZPFTZCYTCB-UNOMPAQXSA-N 441.557 2.354 0 40 IEAB COc1ccc2c(c1)cc(C(=O)N[C@@H](CCSC)C(=O)N1CCC(C(=O)O)CC1)n2C 9187861 XDCAIEYFOOMBOW-KRWDZBQOSA-N 447.557 2.362 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3cccc(OC)c3)CC2)N[C@@H]1c1ccccc1 9191962 QORULABJZBZISM-LEWJYISDSA-N 436.512 2.224 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 9710448 SQGWBBIEOVSKTF-UHFFFAOYSA-N 433.555 2.265 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)C1=O 9737530 FAJQYFMJWDVZOK-OAQYLSRUSA-N 429.498 2.122 0 40 IEAB O=C(C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 10384169 IQHIXBNXQIDVLA-HNNXBMFYSA-N 430.848 2.430 0 40 IEAB C[C@@H](Sc1nncn1CCc1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 11106407 QMAOBAGMTBOJNA-GFCCVEGCSA-N 437.572 2.349 0 40 IEAB COC(=O)c1sc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)c(C(=O)OC)c1C 12557256 BTMSULQGFLOULX-UHFFFAOYSA-N 426.472 2.389 0 40 IEAB COc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)NC1CC1 12567192 WYNNASWIQVRERM-KRWDZBQOSA-N 433.530 2.296 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@@](C)(CCC(C)C)C3=O)ccc21 12689381 YKRAHDXCULEKKN-NRFANRHFSA-N 435.546 2.328 0 40 IEAB Cn1ncc2c(N3CCN(CC(=O)Nc4ccc(SC(F)F)cc4)CC3)ncnc21 12983176 SQOCQARTQCVQCB-UHFFFAOYSA-N 433.488 2.439 0 40 IEAB CN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC(=O)Nc1ccc(Cl)c(Cl)c1 13058646 UTJQLILBTFXJEX-UHFFFAOYSA-N 445.328 2.150 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2nc3ccccc3o2)CC1 13117967 RZXVDGLVRPXNPD-UHFFFAOYSA-N 429.498 2.496 0 40 IEAB CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)CCCN3S(C)(=O)=O)C2=O 13164117 MZHFQGACLWCNKR-UHFFFAOYSA-N 433.530 2.082 0 40 IEAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc21 17286450 PGRGPPLRPSIJAJ-UHFFFAOYSA-N 441.509 2.414 0 40 IEAB Cc1ncc(-c2ccncc2)c(CCNC(=O)CN(c2ccccc2F)S(C)(=O)=O)n1 19286933 DZFSFZYWMDYUMQ-UHFFFAOYSA-N 443.504 2.111 0 40 IEAB O=C(COC[C@H]1CCCCO1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19406991 VKCYBSRFGMFJOE-XUWVNRHRSA-N 431.459 2.390 0 40 IEAB COc1cccc(N2CCN(C[C@H](O)c3ccc4c(c3)CCCN4S(C)(=O)=O)CC2)c1 19565852 JVQFICZIFGLIRQ-QHCPKHFHSA-N 445.585 2.263 0 40 IEAB CNc1nc([C@@H]2CCCN2C(=O)COc2ccc(F)cc2)nc2c1CN(C(C)=O)CC2 19710886 XUADSVNJWNHUJO-IBGZPJMESA-N 427.480 2.305 0 40 IEAB COCCn1c(=O)n(C)c(=O)c2ccc([C@@H]3CCCN(Cc4ccc(OC)cc4)C3)nc21 19743588 JHWKDWBWYDICTA-GOSISDBHSA-N 438.528 2.130 0 40 IEAB COC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3)C2)CC1 19866687 RPXCOZBCOOTMGL-KRWDZBQOSA-N 442.965 2.293 0 40 IEAB COCCN(C(=O)c1cc2c(s1)CC[C@H](C)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 21337314 UGMBGVPSYYJOAF-ZDUSSCGKSA-N 434.562 2.254 0 40 IEAB COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1OC 28207398 ODJVXOFCYCKEEM-UHFFFAOYSA-N 436.530 2.000 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccc(Cn2cccn2)cc1 29231600 FRGTZAFNCYDZKL-JOCHJYFZSA-N 438.553 2.324 0 40 IEAB O=C(O)CCn1cc([C@@H](C(=O)O)N2CCCN(c3ncccn3)CC2)c2ccc(F)cc21 36367335 BRSMVDUDBLLSLU-FQEVSTJZSA-N 441.463 2.383 0 40 IEAB CC(C)C[C@H](CO)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cn3cncn3)cc1)C2=O 40287872 NBPRXVXBKOPOPQ-GOSISDBHSA-N 447.495 2.264 0 40 IEAB Cc1cc2c(=O)n(-c3ccccc3)c(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)c2s1 41090802 DSOBQXLFZKETJR-UHFFFAOYSA-N 434.477 2.260 0 40 IEAB O=C(NCCN1CCN(c2ccccc2)CC1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 56925364 KCRXIFHSDNUPKQ-IBGZPJMESA-N 425.508 2.052 0 40 IEAB COc1c(N2C[C@@H](F)[C@@H](CNC3CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn(CCF)c12 59649912 ZFIOCUITTUUVPV-MEDUHNTESA-N 439.434 2.343 0 40 IEAB in-man CCC1(CC)NC(=O)N(CC(=O)N[C@H](C(=O)OC)c2ccccc2C(F)(F)F)C1=O 69537863 CSHHEEIQTUFQTC-AWEZNQCLSA-N 429.395 2.146 0 40 IEAB O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCc1nn(-c2ccccc2)c2c1CCC2 70010173 WSZSVIXUECVLBS-UHFFFAOYSA-N 441.491 2.249 0 40 IEAB COc1ccccc1CNC(=O)c1cnc([C@H]2CCCN2CC(=O)N2CCCC2)nc1C 72346294 JMNWAGVHXZYEQV-HXUWFJFHSA-N 437.544 2.483 0 40 IEAB COCCN1C[C@H](C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3C)c2)CC1=O 72351918 BXQFFHZDKQVXQX-GGAORHGYSA-N 449.551 2.026 0 40 IEAB O=C(CCNC(=O)c1ccc(Br)cc1)NCc1noc(CC(F)(F)F)n1 95431184 GDOMJKFFESYKOV-UHFFFAOYSA-N 435.200 2.373 0 40 IEAB CC1(C)[C@@H]2CC=C(COC[C@H](O)CN3CCN(S(=O)(=O)c4ccccc4)CC3)[C@@H]1C2 100898221 VXYHEQRLQJPEOZ-SJBKTWHCSA-N 434.602 2.363 0 40 IEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 101966004 AEJWJRQBYCYZKJ-HZPDHXFCSA-N 440.525 2.413 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)s1 223108519 HWQIAJSBXWJZRC-LBPRGKRZSA-N 426.520 2.476 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 223621319 AXHLXKYTQRWQSB-UHFFFAOYSA-N 435.458 2.250 0 40 IEAB CC(C)CSc1nnc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)s1 223702929 VETRBVWABQONGO-CYBMUJFWSA-N 428.561 2.452 0 40 IEAB CCOc1cc(/C=c2\sc3ncnn3c2=O)ccc1OCC(=O)Nc1ccc(F)cc1 256055896 YEDJDYMARJPHAR-ZDLGFXPLSA-N 440.456 2.254 0 40 IEAB COc1cccc(CN(C)CC(=O)N2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)c1 257340070 ZEHXJDJNDVWKDS-QFIPXVFZSA-N 448.527 2.161 0 40 IEAB C[C@H](NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 260934935 NPNBJBWYQYESCM-KBPBESRZSA-N 442.534 2.261 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCO)c(Cl)c2)cc1 408636350 OSBURDIRFMGRPY-UHFFFAOYSA-N 428.894 2.027 0 40 IEAB C=CC(=O)N1CCC(C(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)(c2ccccc2)CC1 1556472566 QKDKEJRCFHINLR-NRFANRHFSA-N 438.572 2.337 0 40 IEAB C=CC(=O)N1CCC(C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)(c2ccccc2)CC1 1556472567 QKDKEJRCFHINLR-OAQYLSRUSA-N 438.572 2.337 0 40 IEAB CC[C@@H](C(=O)NC(C)(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6631667 FGHQAUCJMSFTGH-ZDUSSCGKSA-N 433.534 2.173 0 40 IEAB CCOc1ccc(C(=O)NCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1OCC 8922098 HMXOCSQAOBYPPL-UHFFFAOYSA-N 438.484 2.109 0 40 IEAB CC(C)C(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1 8954755 TVFHBVSIKCMRNP-UHFFFAOYSA-N 430.486 2.076 0 40 IEAB O=C1[C@H]2C3C=CC([C@@H]2C(=O)N1Cc1ccccc1)[C@H]1C(=O)N(Cc2ccccc2)C(=O)[C@H]31 9233034 WGRLPZUHNOHHBF-CLGXJXAXSA-N 426.472 2.405 0 40 IEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O 9254018 XEZDIGCWYFXVIK-HNNXBMFYSA-N 438.484 2.432 0 40 IEAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCc4ccccc4C3)=C2)cc1OC 9290125 FWFSILOOKUNEDL-UHFFFAOYSA-N 441.509 2.152 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)cc1 9851697 DGVPOIYHTOFNRG-UHFFFAOYSA-N 429.484 2.241 0 40 IEAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(N3CCCCCC3)cc2)c1 10037225 RTESMCXXUYJKQM-UHFFFAOYSA-N 432.546 2.118 0 40 IEAB CCOCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2ccc(OC)c(Cl)c2)n(C)c1=O 10102573 IVSDEAOWXBQDRP-ZDUSSCGKSA-N 447.923 2.383 0 40 IEAB CCCC[C@@H](CC)CNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1 10385585 CLURLWPKPGPXPP-SJORKVTESA-N 443.548 2.492 0 40 IEAB Cc1occc1-c1cc2nc3c(c(O)n2n1)CN(Cc1cnc(N2CCOCC2)nc1)CC3 12667233 VENPEZKTMWNKSI-UHFFFAOYSA-N 447.499 2.188 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 13260091 ZOSRLOXLJBRRTR-IBGZPJMESA-N 429.498 2.280 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NCc1ccncc1 13557004 QTMMURJTPFNNKQ-BCJZVPSXSA-N 438.553 2.499 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 15940631 CYBKSDNPYDNOBS-UHFFFAOYSA-N 447.557 2.338 0 40 IEAB CN1CCN(C(=O)c2ccc(C3CCN(C(=O)COc4ccccc4F)CC3)nc2)CC1 19705770 JTRFZBCSIKHNIA-UHFFFAOYSA-N 440.519 2.393 0 40 IEAB CNc1nc(C2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)CC2)nc2c1CCNC2 19710844 XBLPRXQNPKFWIU-UHFFFAOYSA-N 445.589 2.358 0 40 IEAB Cc1cccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccccc2)c1 19938269 UYXNDXZRJDSYFA-UHFFFAOYSA-N 431.558 2.029 0 40 IEAB Cc1ccc(C)c(N(CC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)S(=O)(=O)N(C)C)c1 20244342 BJRKTSNAYRVUKC-OALUTQOASA-N 438.638 2.400 0 40 IEAB CCCn1c(CCC(=O)NCCCOC)nc2cc(S(=O)(=O)N3CCCC3)ccc21 21896383 OXZLNPZRSMVHGU-UHFFFAOYSA-N 436.578 2.316 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(C)=O 22969823 TXGUOALDFAKQIA-NRFANRHFSA-N 427.526 2.311 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc3c(c2)OCCO3)C(C)C)cc1 23481623 YVPRECZEXJOWRL-FQEVSTJZSA-N 434.514 2.086 0 40 IEAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc1 23674493 MXXCXUVBINDWMZ-TYPHKJRUSA-N 440.606 2.063 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCC[C@@H]1c1nnc2ccccn12 31499987 CECIPXUDIMVBLS-GOSISDBHSA-N 425.514 2.491 0 40 IEAB O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 32808838 WOTYFROYGVWWBK-UHFFFAOYSA-N 440.525 2.248 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCc1ccc2c(c1)OCO2 32845461 PTMUGVMOKBXPEV-GFCCVEGCSA-N 444.431 2.460 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)OC)N1C=Cc3ccccc3[C@@H]21 35855569 TZIHBFDCGFSPRF-YRPNKDGESA-N 432.432 2.162 0 40 IEAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(CCc3ccncc3)CC2)c2ccc(F)cc21 36352989 SNEKWIFLXZASHP-JOCHJYFZSA-N 440.475 2.246 0 40 IEAB CS(=O)(=O)N1CC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)Oc2ccccc21 38851396 XADLTHZZCOTRAK-FQEVSTJZSA-N 433.505 2.092 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc3nn(CCOc4ccc(F)cc4)c(=O)n3c2)CC1 49407944 BLTAMMBFPPXTSE-UHFFFAOYSA-N 434.493 2.135 0 40 IEAB CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)CC1 59849840 ZFDNMAPWICLQNS-UHFFFAOYSA-N 434.544 2.402 0 40 IEAB CCC[C@@H](NC(=O)[C@H](C)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccccc1 61306323 GOJJHIYSDNVTBZ-PGRDOPGGSA-N 442.604 2.468 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3cccs3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 63390404 CDEHTROZQHCAPW-IAGOWNOFSA-N 440.974 2.467 0 40 IEAB COC(=O)c1ccc(NC(=O)[C@@H](C)NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 71328981 HNNNBMSLDXJTIU-OAHLLOKOSA-N 428.464 2.471 0 40 IEAB C[C@H]1CN(c2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cn2)C[C@H](C)O1 84713734 SKMWWCMEBPPFDR-DCUVFSOYSA-N 433.578 2.360 0 40 IEAB COc1cccc([C@H](CNc2ncc(Br)cc2S(N)(=O)=O)N(C)C)c1 95430926 DJCMBECPMNAXEC-AWEZNQCLSA-N 429.340 2.215 0 40 IEAB CON(C)C[C@@H](O)Cn1cc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cn1 95456516 WMEVLECCXHGAMI-GOSISDBHSA-N 426.448 2.360 0 40 IEAB CCOC(=O)c1s/c(=N/C(=S)NC(=O)c2cc3ccccc3oc2=O)n(C)c1C 100843312 HBAGMDQNXXLATG-XUTLUUPISA-N 431.495 2.294 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223784814 HHQQBEUOFYLRCB-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB C[C@@H](Oc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1)C(=O)N1CCOCC1 408610062 UTZUHIUKEGWTDJ-CYBMUJFWSA-N 426.441 2.392 0 40 IEAB C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C1 408614279 ALGHUEYEECJSOT-HUUCEWRRSA-N 445.903 2.207 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 409257643 RMOWRNPMOUFBMG-AWEZNQCLSA-N 425.913 2.495 0 40 IEAB CC(=O)Nc1ccc(CNC(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)cn1 1128452183 LPBXBCXFLSOEKC-ZDUSSCGKSA-N 428.493 2.306 0 40 IEAB COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl 810275 OLRSNFNQUOPJGF-UHFFFAOYSA-N 426.878 2.160 0 40 IEAB CN(CC(=O)NCc1ccccc1Cl)CC(=O)Nc1ccc(N2CCOCC2)cc1 3332770 ADHHIHQKBHCXDE-UHFFFAOYSA-N 430.936 2.363 0 40 IEAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 3370357 CPMYBPZAJLRDSD-UHFFFAOYSA-N 425.485 2.052 0 40 IEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 8624188 ATRKVMIBCUFLSJ-QHCPKHFHSA-N 438.459 2.006 0 40 IEAB NC(=O)c1ccc(-n2nc(C(=O)N3CCCCC3)/c(=N/C(=O)c3cccs3)s2)cc1 8770604 SDTUTWOALQRJFW-QOCHGBHMSA-N 441.538 2.461 0 40 IEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)Nc1sccc1C(N)=O 8882212 RVEIYQMKYPRLHP-OAHLLOKOSA-N 439.440 2.062 0 40 IEAB C[C@@H](NC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1 9053011 ONZXUKUCRXXRMJ-MJGOQNOKSA-N 429.542 2.081 0 40 IEAB CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cc(NC(C)=O)ccc1OC 9127623 JEPWNNRPBBJYQC-UHFFFAOYSA-N 425.532 2.042 0 40 IEAB O=C(Nc1nccs1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9183864 HPSSTGJOLYNCME-CQSZACIVSA-N 434.543 2.309 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3CCCCCCC3)CC1)O2 12087113 SRLWWJKJGPETDT-XMMPIXPASA-N 443.544 2.361 0 40 IEAB COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 12231864 AUXDXLWTZBAOGU-UHFFFAOYSA-N 442.907 2.047 0 40 IEAB COC(=O)c1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCN(C(=O)OC)C2 12361157 SPOXYRLYOYMJDV-AWEZNQCLSA-N 432.454 2.438 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cc2ccccc2cc1O 12735957 NCIGMQBMTLHHKH-UHFFFAOYSA-N 426.494 2.496 0 40 IEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc3c(c2)OCCO3)c(=O)[nH]c1=O 12910999 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CSc1cc(C(=O)O)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 32765620 MCQAPDJUSKGOCY-UHFFFAOYSA-N 442.540 2.348 0 40 IEAB O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 32882673 JTSNUIFTQRTOKE-INIZCTEOSA-N 442.541 2.039 0 40 IEAB O=C(COc1ccc(Oc2ccccn2)cc1)NC1CCN(CC(=O)N2CCCC2)CC1 32934774 GDOVVKBOSQZWCN-UHFFFAOYSA-N 438.528 2.456 0 40 IEAB Cc1cc(NC(=O)CSc2nnc(N3CCN(C(=O)c4ccco4)CC3)s2)no1 35597068 ILLMJIDMUKCFFG-UHFFFAOYSA-N 434.503 2.121 0 40 IEAB Cc1noc(C)c1CN1CCN([C@@H](C(=O)O)c2cn(C)c3ccc(C(=O)O)cc23)CC1 36358369 BYQAWRXWDPLTQU-HXUWFJFHSA-N 426.473 2.425 0 40 IEAB CCC(CC)[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)N1CCOCC1 37330479 URAASHRYDMITRV-IIBYNOLFSA-N 437.606 2.264 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1C 39655690 VHDKOZLVEUPSGD-LJQANCHMSA-N 440.452 2.465 0 40 IEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 40040844 ZIXFQFAPYHPUTI-CVEARBPZSA-N 449.529 2.084 0 40 IEAB COc1ccc(CNC(=O)Cn2c(C)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1 49400818 QHNZCQWXIKNTEN-UHFFFAOYSA-N 432.524 2.435 0 40 IEAB CCOc1ccc2[nH]c(=O)c(CN(CCO)Cc3nnnn3CCc3ccccc3)cc2c1 57643131 OFVBSVFXIZZKOL-UHFFFAOYSA-N 448.527 2.151 0 40 IEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCC4)nn3)cc2)n1 77099883 KQQGYFHPUUNIGH-UHFFFAOYSA-N 439.501 2.228 0 40 IEAB CCOP(=O)(CO[C@@H](CO)Cn1ccc(NC(=O)c2ccccc2)nc1=O)OCC 85221682 WYJNVSZEUBNGND-MRXNPFEDSA-N 439.405 2.097 0 40 IEAB CS(=O)(=O)Nc1nnc(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)s1 89490006 VCMDRHYBZFAQCB-UHFFFAOYSA-N 443.308 2.110 0 40 IEAB COc1cc(/C=C/C(=O)OCC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc(OC)c1O 95962771 ZLFWHBPRTDJHOE-BJMVGYQFSA-N 449.481 2.245 0 40 IEAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 104206519 XYJHJKBRXBIALT-AYWYSENESA-N 431.448 2.301 0 40 IEAB CCOc1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5cc(O)ccc5[C@@H]4[C@@H]3C2=O)cc1 107168249 ILZMDKUUNVHAOI-SOLBZPMBSA-N 438.461 2.269 0 40 IEAB C[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccccc1F)S(C)(=O)=O 113957746 LXXYHOFWAZRHJC-MRXNPFEDSA-N 434.537 2.371 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 219399157 GTACRADBEAZCRT-FOIQADDNSA-N 434.514 2.114 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 225208038 BETJVEIMRVMKNM-HNNXBMFYSA-N 437.949 2.124 0 40 IEAB O=C(CCN1C(=O)CCNC1=O)N1CCO[C@@H](c2cccc(-c3c(F)cccc3F)n2)C1 257246118 ISOBCJWIHCMKSF-GOSISDBHSA-N 444.438 2.259 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)NC4CC4)CC[C@H]3N2CC2CC2)cc1 306129000 HQWJXWTVGAQMKF-QIJUGHKUSA-N 426.561 2.358 0 40 IEAB COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](c3cccs3)S(=O)(=O)CC2)cc1 390832113 XIUUATLCECTDLZ-INIZCTEOSA-N 444.556 2.477 0 40 IEAB CCn1cc(Cl)c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 2802990 LSDWEZBKDGJBQP-ZDUSSCGKSA-N 428.917 2.413 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3C(=O)O)c(=O)n2[C@H]1c1ccccc1 3768544 SNMJAWMFIGXXHC-LVSKKATPSA-N 448.500 2.497 0 40 IEAB COC(=O)c1ccc2c(=O)n(CCCCCC(=O)NCCc3ccccc3)c(=O)[nH]c2c1 8608148 CAMGFKFBBUFOKX-UHFFFAOYSA-N 437.496 2.396 0 40 IEAB O=C(Nc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9340910 SOYQOIFKGMDZGC-MRXNPFEDSA-N 428.514 2.248 0 40 IEAB CCOC(=O)N1CCN(C(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2C(C)C)CC1 9410518 DHDBZQDPVPBPBF-QGZVFWFLSA-N 432.546 2.088 0 40 IEAB Cc1ccc(-c2ccc(N3CCN(C(=O)c4ccc(S(N)(=O)=O)cc4)CC3)nn2)cc1 11695245 QTFTZMUPLQMPRA-UHFFFAOYSA-N 437.525 2.062 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 11697706 AFJJGFWDJIVAOL-UHFFFAOYSA-N 426.502 2.135 0 40 IEAB CCOc1cccc2cc(C(=O)NCCn3nc(-c4ccncc4)ccc3=O)c(=O)oc12 11744700 QSXZIEIVNBYOFI-UHFFFAOYSA-N 432.436 2.240 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCn1c(=O)oc2ccccc21 14244526 WBPBLFZRAJLBNN-UHFFFAOYSA-N 433.486 2.272 0 40 IEAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)C1=O 15858605 SZHVNMKDEPSYEJ-UHFFFAOYSA-N 427.526 2.352 0 40 IEAB O=C([C@H]1CCOC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349278 KLEIQXSPYQIWMK-JXFKEZNVSA-N 426.492 2.167 0 40 IEAB COCCC(=O)N1CC[C@H](c2nc(O)c3c(n2)CN(Cc2ccccc2OC)CC3)C1 19593091 MVMQSDCWZUTOKY-KRWDZBQOSA-N 426.517 2.102 0 40 IEAB CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)S(=O)(=O)Cc3ccccc3)n2)CC1=O 19700946 CHQNNWFJCGJMOE-SFHVURJKSA-N 445.589 2.229 0 40 IEAB CCn1ccc(C(=O)N2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)n1 19762755 ACMRSIORNREMSN-QFIPXVFZSA-N 449.511 2.137 0 40 IEAB Cc1nc([C@H]2CCCCN2C(=O)CN2CCCC2=O)ncc1C(=O)NCc1ccccc1 19764353 OBWUOHQPUQWLMY-HXUWFJFHSA-N 435.528 2.391 0 40 IEAB C[C@H](C(=O)N1CCC(c2ccc(C(=O)NCc3ccccc3)c(N)n2)CC1)N1CCCC1=O 19765909 OJICVIFFQXUBNV-QGZVFWFLSA-N 449.555 2.311 0 40 IEAB O=C(Cc1ccc(F)cc1)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 21010887 BVSQZZKRPZISFP-UHFFFAOYSA-N 431.475 2.300 0 40 IEAB COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(S(N)(=O)=O)c3)[nH]n2)cc1OC 21806177 OLIHPLDBIDCUKT-UHFFFAOYSA-N 432.458 2.002 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCN(Cc3ccsc3)CC2)C1=O 22792074 DWIVDNFYQRWVRZ-QFIPXVFZSA-N 442.541 2.062 0 40 IEAB Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3nc(-c4ccsc4)no3)CC2)cc1 24968394 ZZCPMXLNYQHFKW-UHFFFAOYSA-N 425.514 2.181 0 40 IEAB O=c1[nH]c2ccc(S(=O)(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cc2[nH]c1=O 32895704 STIDJMOVDVRMRL-QGZVFWFLSA-N 431.470 2.485 0 40 IEAB C=CC(C)(C)[C@]12C=C(O)C(=O)N3C(=Cc4cnc[nH]4)C(=O)N[C@@]31N(OC)c1ccccc12 90556526 JTJJJLSLKZFEPJ-DHIUTWEWSA-N 433.468 2.350 0 40 IEAB COC(=O)C1=NN(c2ccccc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 100943178 YFSJRTTWSAIOHL-HOCLYGCPSA-N 428.242 2.356 0 40 IEAB COc1ccc(-c2noc(CNS(=O)(=O)c3cc(OC)ccc3OC)n2)c(OC)c1 223779608 LSIUZHIGVLEOQM-UHFFFAOYSA-N 435.458 2.250 0 40 IEAB CCOc1ccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1 225028851 CCDUZUNSETYVRD-UHFFFAOYSA-N 435.527 2.403 0 40 IEAB Cc1cc(C)n(CCOc2ccc(CNC[C@]3(O)CCCN(c4ncccn4)C3)cc2)n1 257274109 NJPNKVHXEQJGDC-XMMPIXPASA-N 436.560 2.490 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CN2CCC3(CC2)CN(S(C)(=O)=O)C(C)(C)C3)cc1 257278401 OCCLKHYVQDUETA-UHFFFAOYSA-N 436.578 2.110 0 40 IEAB Cc1nn2c([C@@H]3CN(C(=O)C4CCCC4)CCO3)ccnc2c1CN1CCC(O)CC1 257305434 SPYZOYVOKCETCU-NRFANRHFSA-N 427.549 2.085 0 40 IEAB O=C(c1cccc(O)c1)N1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 513257395 OLZKRZWOFGENOO-UHFFFAOYSA-N 446.507 2.427 0 40 IEAB COc1cccc(N2C[C@H](C(=O)NCc3nnc4n3CC[C@@H](C(F)(F)F)C4)CC2=O)c1 575607674 OLSVQLUNJSBEKT-CHWSQXEVSA-N 437.422 2.081 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3ccnn3C)CCO2)C1=O 643557805 WRJDTHWBTPTJAB-DEOSSOPVSA-N 440.544 2.285 0 40 IEAB COc1cc(S(=O)(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)ccc1-n1cnnn1 934087 UYQMKEDBDIAKKZ-KRWDZBQOSA-N 429.502 2.041 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 6300134 FNNLUBMIBKPJNC-INIZCTEOSA-N 425.464 2.133 0 40 IEAB Cc1ccc([C@@]23CCC(=O)N2[C@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)CS3)cc1 9126577 YCBPYBOXKHJNSA-PXNSSMCTSA-N 431.539 2.172 0 40 IEAB Cn1c(=O)c2c(nc3n(-c4ccc(F)cc4)c(-c4ccc5c(c4)OCO5)cn23)n(C)c1=O 9126730 IXZAYYPHWAOJKE-UHFFFAOYSA-N 433.399 2.210 0 40 IEAB O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 9342905 HCUCFRYLVQZKGR-UHFFFAOYSA-N 427.276 2.485 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)CC1 9445339 KWINPMGRYVWAHQ-UHFFFAOYSA-N 437.543 2.007 0 40 IEAB NC(=O)[C@@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2O1 9741812 KIKOJHPIPVZMFL-NRFANRHFSA-N 440.459 2.338 0 40 IEAB C[C@@H]1CN(Cc2ccccc2)c2nc3c(c(=O)n(CCN4CCCCC4)c(=O)n3C)n2C1 10105149 FGFVNQFPCMIWNC-GOSISDBHSA-N 436.560 2.039 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 10289246 YLALBDIJWXXFPW-UHFFFAOYSA-N 428.963 2.485 0 40 IEAB C[C@H](OC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)Nc1ccccc1 10688757 CVNPULFFGCSVSG-MAUKXSAKSA-N 432.498 2.328 0 40 IEAB CCCCc1ccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)cc1 11758046 GTZHSTIRUKCYPA-UHFFFAOYSA-N 427.530 2.409 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OC)cc3)c2)CC1 12526455 CFSTYSOWEKEVFF-UHFFFAOYSA-N 447.513 2.410 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(C)cc3)CC2)cc1 12847071 CZBHEUGXTGSDLC-IBGZPJMESA-N 434.558 2.140 0 40 IEAB CC(C)CN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13019697 FBBGIISXZZBQES-UHFFFAOYSA-N 441.532 2.204 0 40 IEAB CC(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2c(c1)OCCO2 13501776 PKSAYXVFRPNEHO-UHFFFAOYSA-N 432.502 2.191 0 40 IEAB O=C(NCCC(=O)N1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13684568 WYFHVBPKEOJXCE-UHFFFAOYSA-N 441.981 2.260 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1C 17912720 MMHMPZCGQNLMRW-UHFFFAOYSA-N 442.516 2.356 0 40 IEAB Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)[C@@H]4CCCO4)[nH]c(=O)c3C2)s1 19216991 UMUTWDLWKVXLQC-SJORKVTESA-N 442.541 2.181 0 40 IEAB O=C(Cc1cccc(F)c1)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 19369384 IWOPNDGFWIGGHK-OAQYLSRUSA-N 436.487 2.388 0 40 IEAB COc1ccc2cc(CCC(=O)Nc3ccc4c(c3)N(S(C)(=O)=O)CC4)c(=O)[nH]c2c1 19769985 LKWIYLTTWGAFHH-UHFFFAOYSA-N 441.509 2.430 0 40 IEAB O=C1C[C@@H](N2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc2c(c1)OCO2 19877411 HNADUVBNUWVUMI-MRXNPFEDSA-N 436.493 2.479 0 40 IEAB CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 20405079 PLJYLHVKUBEPIO-UHFFFAOYSA-N 446.529 2.015 0 40 IEAB CCOC(=O)c1ccc(N2C[C@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1 20720108 RSYVIRKKVIGGNO-GOSISDBHSA-N 433.468 2.495 0 40 IEAB C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2c(nnn2Cc2cccc(F)c2)c1=O 40478214 JEHLWSJLRPMQKI-INIZCTEOSA-N 434.475 2.313 0 40 IEAB C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H](c2ccccc2)O1 58413285 XTUCALHAKBTFKZ-DYESRHJHSA-N 430.526 2.310 0 40 IEAB COC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)N[C@H]1c1ccc(F)cc1 67204931 IBNVUGLPPFCVIU-SFHVURJKSA-N 448.495 2.159 0 40 IEAB Cn1c(=O)c2ccc([C@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)nc2n(C)c1=O 72374604 DCSKYZARWAPOJA-HXUWFJFHSA-N 431.496 2.410 0 40 IEAB O=C(CSC(F)(F)F)NC1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 78752185 JWUYUANMBHNWCK-OAHLLOKOSA-N 429.464 2.148 0 40 IEAB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2CCCN21 504213753 CGRILSBRFQVTJJ-RWIMWJNXSA-N 445.475 2.463 0 40 IEAB biogenic COCCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)Cc1ccc(OC)cc1 585262445 OCUYWQDVVPTMBY-HTDNTCHWSA-N 446.519 2.368 0 40 IEAB O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3cccs3)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 604381039 CMHOMNWLJQKQGW-AFJOWOCMSA-N 449.504 2.001 0 40 IEAB biogenic,in-vitro CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(C(=O)c1ccccc1)C2 1549167688 RFYPICAUCOEOAC-QFIPXVFZSA-N 447.535 2.388 0 40 IEAB Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)COc1ccc(CO)cc1 1636443739 RYQCAOWYWRTHSX-SFHVURJKSA-N 430.505 2.112 0 40 IEAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCO)CC(=O)N32)c(OC)c1 2152269 WLBWJZFOJWUJNS-GBXCKJPGSA-N 449.507 2.252 0 40 IEAB biogenic COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 8254507 DCIGRLJGOXTKHV-RLLQIKCJSA-N 432.528 2.376 0 40 IEAB biogenic,in-vitro O=c1ccc(S(=O)(=O)N2CCCC2)cn1CCOc1cccc(Br)c1 8769181 WIAHXYFRIDGNTH-UHFFFAOYSA-N 427.320 2.474 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 8979462 DNCIZFIYPLEHHM-SFHVURJKSA-N 427.482 2.013 0 40 IEAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 9640816 PQNRLWSTXSQVHG-INIZCTEOSA-N 443.550 2.303 0 40 IEAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ccccc2O)CC1 12536446 VVLQWBVAGWSPGH-IBGZPJMESA-N 443.569 2.358 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCN2CCC(C(=O)NCc3ccccc3)CC2)cc1 12782178 RZGGKDQUTOYBOC-UHFFFAOYSA-N 445.585 2.344 0 40 IEAB O=C(c1cc(F)cc(F)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12973338 VWRUAQZWFMHLPD-UHFFFAOYSA-N 438.452 2.273 0 40 IEAB Nn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 13108567 GXTQQMGYVJHKCC-UHFFFAOYSA-N 445.892 2.125 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 13554388 NADIQAMWQNCJAE-JKSBSHDWSA-N 443.544 2.354 0 40 IEAB C[C@@H](NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(-n2cncn2)cc1 18159631 DQXCQWDDRSVSST-MRXNPFEDSA-N 432.484 2.001 0 40 IEAB CCS(=O)(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2 19520333 GIKCBLXKCKCPIA-GOSISDBHSA-N 436.578 2.112 0 40 IEAB COc1cccc(C(=O)COC(=O)c2ccc(NC(=O)C[C@H]3SC(=N)NC3=O)cc2)c1 19633545 SCFVNLZLNAKKLL-QGZVFWFLSA-N 441.465 2.230 0 40 IEAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCN4CCOCC4)c12)OC(C)(C)CC3 20757560 BLXRQVPVEUDSJI-UHFFFAOYSA-N 430.501 2.032 0 40 IEAB biogenic COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n(N)c2=O)cc1 27752310 WCHKYDAYYRZYFF-UHFFFAOYSA-N 425.514 2.299 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)c1ccc(-n2ccnc2)cc1 30516176 QRJAFBBBJXUIEK-LJQANCHMSA-N 427.530 2.317 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)cc1 32947406 OCTZOEUFXXNEOS-QZTJIDSGSA-N 432.542 2.343 0 40 IEAB Cc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCC2)N(C2CC2)C(=O)[C@H]13 35314554 OYERLAYDOBTEPS-ZJTKBAOVSA-N 435.524 2.305 0 40 IEAB Cc1nonc1CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)C(C)C)cc23)CC1 36359477 ZBZQZZKCNQRHSN-HXUWFJFHSA-N 440.504 2.397 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3cccs3)CC2)cc1 38731328 UPINFJWYUWWRLI-MSOLQXFVSA-N 447.582 2.087 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1C(=O)NC(C)C)O2 38854429 VZNQNXVQAZUOLU-LJQANCHMSA-N 431.514 2.299 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c1C 39655692 VHDKOZLVEUPSGD-IBGZPJMESA-N 440.452 2.465 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)Oc3ccccc3)CC2)cc1 40158073 WJJMYWFXPPHXKQ-UHFFFAOYSA-N 431.514 2.007 0 40 IEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)NC2CCCCC2)c1 71772489 CSGSRNIRMSVCNQ-INIZCTEOSA-N 446.573 2.409 0 40 IEAB CCCN1CCN(C(=O)CCn2cnnn2)[C@@H](Cc2cccc(-c3cccs3)c2)C1=O 72351784 RDHPRTITVLQGDD-IBGZPJMESA-N 438.557 2.484 0 40 IEAB CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 89967730 LTDGPVKOMQILSV-YLJYHZDGSA-N 433.574 2.333 0 40 IEAB CCN1C(=O)[C@H]2CN(CC(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccccc1F)CC2 96143603 KUSXZNJVUNIDQM-ZWKOTPCHSA-N 437.581 2.415 0 40 IEAB CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C\c3cnc4ccccc4n3)c(=O)n12 101407921 RHYWQDWQPNZWEW-XAHFQGDYSA-N 442.500 2.218 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCC[C@@H](C)C4)nc(=O)c32)c1 139085184 DKZGPSXJDFHMPK-TZMCWYRMSA-N 441.488 2.088 0 40 IEAB COc1ccc(CNC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c(OC)c1OC 220481236 FOMINGFGBMPTHE-CYBMUJFWSA-N 440.493 2.322 0 40 IEAB CN(C)[C@H]1CC2(CCN(C(=O)c3ccc(OCCN4CCCC4)cc3)CC2)OC[C@]1(C)O 257281240 OOGMYXDRRDTEEU-UPVQGACJSA-N 445.604 2.238 0 40 IEAB CN(C)[C@@H]1C[C@@H](C(N)=O)N(C(=O)C2CCN(Cc3ccncc3)CC2)[C@H]1c1ccccc1 257306643 SVEAJGYIROAODI-VJBWXMMDSA-N 435.572 2.051 0 40 IEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(N)=O)C(=O)N2CCNC(=O)c1cc2ccccc2[nH]1 524731459 YUTCYJFXGDZWPN-YFBXQHAESA-N 432.480 2.124 0 40 IEAB biogenic CCc1ncnc(O[C@@H]2CCN(C(=O)CN3CCN(c4ccccc4OC)C3=O)C2)c1F 575613545 RUGRWJOONZHYMT-OAHLLOKOSA-N 443.479 2.109 0 40 IEAB NC(=O)C[C@]1(COc2ccc(F)cc2)CN(C(=O)Cc2noc3ccccc23)CCO1 585284564 TXVGVSBGUKIMCL-JOCHJYFZSA-N 427.432 2.061 0 40 IEAB CS(=O)(=O)N1CCCC[C@@H]2[C@H]1CCCN2CC1(O)CCN(c2ccccc2F)CC1 1615191386 IDDRFCOJJBWCLD-NHCUHLMSSA-N 439.597 2.436 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)c1 2087050527 DOTMUOSDMDCMAO-IYBDPMFKSA-N 444.557 2.048 0 40 IEAB CCOC(=O)c1ccc(N(CC(=O)NC2CCCC2)C(=O)CNC(=O)c2ccco2)cc1 4410855 YRWSBKNVSHNRDC-UHFFFAOYSA-N 441.484 2.278 0 40 IEAB CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 9190971 PQJVEPVUNMEEII-YSFYHYPLSA-N 443.459 2.204 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)C[C@@H](C)O1 9282889 BUPCBRFEJCHJPT-MDZRGWNJSA-N 435.546 2.110 0 40 IEAB C[C@H](Sc1nnc(CNC(=O)c2ccco2)n1C)C(=O)Nc1ccc2c(c1)OCO2 9328610 CCZGVDKGGNPTPF-NSHDSACASA-N 429.458 2.186 0 40 IEAB CCOc1ccc(-n2nnnc2CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 9570549 UIRCSHXDLOBWCD-KRWDZBQOSA-N 434.500 2.347 0 40 IEAB Nc1nc(COC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)nc(Nc2ccccc2)n1 9669405 FMOULXBESOZCLP-KRWDZBQOSA-N 432.484 2.332 0 40 IEAB COc1ccc(C(=O)[C@@H](C)OC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)cc1 9787682 NFHCLPXJSUERJK-CQSZACIVSA-N 430.482 2.329 0 40 IEAB O=C(CSc1ncc(CO)n1CC(=O)NC1CC1)Nc1ccccc1C(F)(F)F 9827485 MQRHJOHHZQWSJZ-UHFFFAOYSA-N 428.436 2.404 0 40 IEAB C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9948438 DSBRDFKNQXGRDP-VIFPVBQESA-N 443.455 2.011 0 40 IEAB CCOC(=O)c1ccsc1NC(=O)CSc1nnc(N2CCOCC2)n1C1CC1 11776141 KWFWACRHQGZCQK-UHFFFAOYSA-N 437.547 2.419 0 40 IEAB Cc1ccccc1OCC(=O)NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 11796228 VLYPVAIULUSPJH-UHFFFAOYSA-N 449.548 2.171 0 40 IEAB CCCCCCc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)O)c(C)c2oc1=O 11866865 HSSXAKFGBGUWOU-UHFFFAOYSA-N 446.500 2.228 0 40 IEAB biogenic Cc1ccc2oc(C(=O)N3CCC[C@H](c4nnsc4S(C)(=O)=O)C3)cc(=O)c2c1 12251756 RTDREKNETRVLBR-LBPRGKRZSA-N 433.511 2.376 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3c4ccccc4CC[C@H]3C)CC2)cc1 12609474 DMHWKEXMOYFJGO-GOSISDBHSA-N 443.569 2.369 0 40 IEAB O=C1NC(=O)[C@H](CCC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)N1 12854222 QFTMKAWONPJAGT-IBGZPJMESA-N 442.466 2.187 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)CSCc2c(C)noc2C)c(=O)[nH]c1=O 12876784 RQFSONCTMIDGPA-UHFFFAOYSA-N 437.566 2.446 0 40 IEAB CCCN(CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1nnc(-c2cccs2)o1 12975788 KSZWIJWXFLMQMQ-UHFFFAOYSA-N 446.533 2.296 0 40 IEAB Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 12997774 LULKAZIGLXQOBP-UHFFFAOYSA-N 431.439 2.311 0 40 IEAB O=C(CN(Cc1ccco1)C(=O)CN1C(=O)C(=O)c2ccccc21)NCc1ccccc1 13084374 DPYMLKDFESEIMD-UHFFFAOYSA-N 431.448 2.154 0 40 IEAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1 14140424 VBXHZADMQVFZQA-OAQYLSRUSA-N 430.411 2.072 0 40 IEAB C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(-n2ccnc2)cc1 16045812 FVAXJSPBIXVWOK-FYSMJZIKSA-N 429.480 2.443 0 40 IEAB CN(Cc1ccsc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 18971502 LGUUUIOBBDJYNG-UHFFFAOYSA-N 436.555 2.351 0 40 IEAB CC1CCN(CCC(=O)N2CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)CC1 19693106 UKYZIHIEFIANMR-HXUWFJFHSA-N 437.544 2.264 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CC1CCOCC1)CCC2 19706285 OWQRFSFYJFQUSJ-FQEVSTJZSA-N 429.565 2.154 0 40 IEAB CNc1ncc(C(=O)N2CC[C@@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)cn1 19761570 GNGNKSGFOXFXFM-OAHLLOKOSA-N 434.500 2.072 0 40 IEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)cc2)n1 21350392 VDQDGUPBXXONAU-AWEZNQCLSA-N 431.518 2.171 0 40 IEAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)NCCCO)cc1 22232029 BGQUGJHWWKTXSV-UHFFFAOYSA-N 426.922 2.184 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCOC)cc1Cl 22269355 LGRSHZHPLRDUFV-GOSISDBHSA-N 440.949 2.391 0 40 IEAB CS(=O)(=O)Nc1cccc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1 22323902 AZHORAPVDXUSRZ-UHFFFAOYSA-N 447.542 2.128 0 40 IEAB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CNC(=O)c3ccco3)c2)cc1 22678295 APNYOHJFISPTCZ-UHFFFAOYSA-N 429.454 2.458 0 40 IEAB CCN(CC)C(=O)CSc1nnc(SCCC(=O)Nc2ccccc2F)n1N 23006624 CIPABQSPZRLODQ-UHFFFAOYSA-N 426.543 2.212 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](C(C)C)N1CCOCC1 25327393 VSOUMLGYNSKOCO-MOPGFXCFSA-N 446.013 2.116 0 40 IEAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 32462158 YVJVODZEXYLKOR-UHFFFAOYSA-N 443.569 2.233 0 40 IEAB CCn1c(=O)n(CCC(=O)NC[C@H](c2cccs2)N2CCOCC2)c2ccccc21 32895837 GCVLPTMPDYIDQL-LJQANCHMSA-N 428.558 2.464 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2cccc(OCC(N)=O)c2)cc1 40050815 WUBUGULUCFEIRV-IBGZPJMESA-N 433.530 2.191 0 40 IEAB CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nnc(COC)s1 40283490 DUKYWCKDAWAHGB-FQEVSTJZSA-N 429.502 2.402 0 40 IEAB O=C(COC(=O)c1nn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2)Nc1ccccc1F 71195226 BGVHDIJFQGIYOV-ZDUSSCGKSA-N 435.477 2.056 0 40 IEAB CCNS(=O)(=O)c1ccc(/C=C/C(=O)N(CC)C2CN(C(=O)OC(C)(C)C)C2)cc1 84791114 JQGYKRGZQXUVBB-JLHYYAGUSA-N 437.562 2.466 0 40 IEAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2cc(C)oc2C)CC3)C1=O 96262818 XXGXGICKBQCYOA-QHCPKHFHSA-N 430.549 2.355 0 40 IEAB O=C(C1CCC1)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C2CCOCC2)CC4)C1 100233647 PYZVGHFQLBMLNN-KRWDZBQOSA-N 439.560 2.478 0 40 IEAB CC1=C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C[C@@H]1n1[nH]c(=O)n(Cc2ccccc2)c1=O 100934325 XYTLCKXGZKYPTP-AQNXPRMDSA-N 430.464 2.083 0 40 IEAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)n2)C1 102612384 GJSGLOAEQWBOOE-IZTIXEQRSA-N 428.558 2.367 0 40 IEAB CS(=O)(=O)c1ccc(CCC(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cc1 225620699 NDIZXZFUFCNXAJ-UHFFFAOYSA-N 429.542 2.086 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N[C@@H]3CCCC[C@H]3C)CC1)O2 247991606 MWIPZTFIVWOCRH-SWWFSWNPSA-N 443.544 2.264 0 40 IEAB O=C(NCC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1)OCc1ccccc1 390831574 SPCKVCCRUPCGSG-IBGZPJMESA-N 434.489 2.440 0 40 IEAB C[C@@]1(c2ccc(-c3noc(-c4ccc5nnc(C(F)F)n5c4)n3)cc2)NC(=O)NC1=O 1116582860 GBMIQSJTRLSZFF-IBGZPJMESA-N 425.355 2.439 0 40 IEAB COc1ccc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC 932350 MXUAZGAYQZWYGE-UHFFFAOYSA-N 428.474 2.369 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1 3234091 PEGUFWPZEPLADL-UHFFFAOYSA-N 446.558 2.424 0 40 IEAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3358309 KHZQKPSAWUTWDI-UHFFFAOYSA-N 447.424 2.474 0 40 IEAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cc(OC)cc(OC)c2)c1 6073653 CVGMFXZHEUIEPF-UHFFFAOYSA-N 441.484 2.411 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC)CC(=O)NCc2cccs2)c1C 9156499 AJBIHXKDTMWYLC-UHFFFAOYSA-N 449.529 2.191 0 40 IEAB O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)Nc1ccc2c(c1)OCO2 12230952 LORUMQISAFXXRK-UHFFFAOYSA-N 426.400 2.426 0 40 IEAB Cn1c(=O)c2c(nc(NCCC(c3ccccc3)c3ccccc3)n2CC(=O)O)n(C)c1=O 12443304 KRZVISSGHSADMB-UHFFFAOYSA-N 447.495 2.152 0 40 IEAB COC(=O)/C=C/c1ccc(OS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(OC)c1 12885504 ADAUJPFQSXXXBZ-VZUCSPMQSA-N 426.468 2.053 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CC1 13627859 SKGXHZJSNNRIGR-KHYOSLBOSA-N 439.553 2.036 0 40 IEAB COc1cc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc(OC)c1OC 13719575 DCBCAALADCKVOQ-UHFFFAOYSA-N 435.440 2.065 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(Cc5ccc6c(c5)OCO6)C(=O)[C@H]24)O3)cc1 15905352 PDNWLAIFJBGZSB-XBZNOJLSSA-N 448.475 2.022 0 40 IEAB NC(=O)CCN(C(=O)COC(=O)c1cc(Br)ccc1N)c1ccc(F)cc1 16811033 YRMVDKOPZVTZSV-UHFFFAOYSA-N 438.253 2.236 0 40 IEAB CCCC(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699667 BCQRWNVKITVFTP-SFHVURJKSA-N 426.517 2.004 0 40 IEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1ccc2c(c1)OCCO2 21919632 NJAIGSJGLUUMPC-UHFFFAOYSA-N 427.457 2.128 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1C 22247399 QSJNCJLQEJHIHT-NRFANRHFSA-N 445.585 2.057 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(C3CC3)cc(C(=O)NCc3cccnc3)c12 25706017 HLMQCMFQUUAYFL-MRXNPFEDSA-N 425.514 2.302 0 40 IEAB COc1ccccc1NC(=O)C1CCN(C(=O)C2=NN(c3ccc(C)cc3)C(=O)CN2)CC1 26108269 HHQUDDORQMCGOX-UHFFFAOYSA-N 449.511 2.131 0 40 IEAB CCn1c(CCC(=O)Nc2ccccc2Cl)nnc1SCC(=O)N1CCOCC1 32579551 DKLPCCPCOKQDJC-UHFFFAOYSA-N 437.953 2.474 0 40 IEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 32753076 YWWOSYYNIJHAKT-VQTJNVASSA-N 441.528 2.412 0 40 IEAB Cc1ccc(NC(=O)Cn2c(=O)c3nnc(CCC(=O)NC(C)C)n3c3ccccc32)cc1 35462543 MRPOOWROVYFPTD-UHFFFAOYSA-N 446.511 2.449 0 40 IEAB COc1cccc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)c1OC(F)F 57774549 FDSOSMRVAAJORU-UHFFFAOYSA-N 429.427 2.438 0 40 IEAB Cc1ccc2c(c1)N[C@@]1(CCC(=O)N([C@@H](C)C(=O)NCCc3ccncc3)CC1)NC2=O 72327957 ORMUKBBZVXXBID-XDHUDOTRSA-N 435.528 2.002 0 40 IEAB Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)Cn2c(=O)oc4ccccc42)CC3)no1 77196470 UINCCKTYWPYISS-UHFFFAOYSA-N 439.453 2.185 0 40 IEAB CN1C[C@H](NCc2cnn(C)c2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 96113514 HGOKVEHXQISPML-YLJYHZDGSA-N 433.503 2.122 0 40 IEAB biogenic,in-vitro NC(=O)COc1cccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCSCC2)c1 96230970 KRKBFVXUAOSSFV-QGZVFWFLSA-N 434.543 2.296 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)[C@@H](C)c3nn(C)c(=O)c4ccccc34)cc2n1 100139003 XMZQIISXUXIRPO-KBXCAEBGSA-N 432.484 2.457 0 40 IEAB O=C([C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1)N1CCC2(CC1)OCCO2 101496291 PDSKMGFVNPQXRQ-CALCHBBNSA-N 440.537 2.276 0 40 IEAB COc1cc(CCNC(=O)C(F)(F)F)c([Sn](C)(C)C)cc1OC 170025489 TVZYUZULIYCYCG-UHFFFAOYSA-N 440.050 2.470 0 40 IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c(Cl)c1 408533168 PZXHHXAJDNNBHO-UHFFFAOYSA-N 425.894 2.145 0 40 IEAB CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1 409205913 QWYXTIJOOPVZTN-UHFFFAOYSA-N 431.558 2.491 0 40 IEAB CN1C(=O)c2ccc(-c3cnn(C)c3)cc2O[C@H]2CN(C(=O)COc3ccccc3)C[C@H]21 514289713 NRAOATDOWQAXDN-IRLDBZIGSA-N 432.480 2.210 0 40 IEAB biogenic,in-vitro CCn1c(O)nc2cc(C(=O)N[C@H]3CCN(c4ccccc4Cl)C3=O)ccc2c1=O 599424053 YJEDJAMQGKPZAB-HNNXBMFYSA-N 426.860 2.311 0 40 IEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C2=O 3327763 KPXZIYTZLRIAFE-UHFFFAOYSA-N 445.472 2.089 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)ccc1C 7265026 XWWRLAUMGLDZMC-HNAYVOBHSA-N 425.576 2.418 0 40 IEAB Cc1cc(NC(=O)[C@H](OC(=O)CCCN2C(=O)NC(C)(C)C2=O)c2ccccc2)no1 8708621 CVVBBTGYEUUSTP-QGZVFWFLSA-N 428.445 2.317 0 40 IEAB Cn1c(=O)c2c(nc3n2CC(c2ccccc2)=NN3C/C=C/c2ccccc2)n(C)c1=O 9059720 AEOHRTLUTCNBBR-FMIVXFBMSA-N 426.480 2.371 0 40 IEAB COC(=O)c1sc(S(=O)(=O)Oc2ccccc2NC(C)=O)c(C(=O)OC)c1C 9283118 ZIZPRXMKBWYEGA-UHFFFAOYSA-N 427.456 2.356 0 40 IEAB CC(C)(C)c1nnc2sc(SCC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)nn2c1=O 9376728 UIMORFAUUYDXRI-UHFFFAOYSA-N 446.558 2.383 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCOc1ccccc1C 9603304 TUGVTGJGGDBABW-UHFFFAOYSA-N 434.514 2.432 0 40 IEAB Cc1ccc([C@@H](Cc2ccsc2)NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)nc1 12229415 LMPWQGCQDLOTKG-GOSISDBHSA-N 442.522 2.244 0 40 IEAB Cc1cc(=O)n2nc(CN3C[C@H](C(=O)N4CCCCC4)Oc4ccccc43)sc2n1 12610320 VSEKWZLPAQMLFI-QGZVFWFLSA-N 425.514 2.240 0 40 IEAB O=C(c1cnc2n(c1=O)CCS2)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12913249 KJYDYRXFRNDWRS-UHFFFAOYSA-N 445.504 2.428 0 40 IEAB O=C(Nc1cccc(Cl)c1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 13072070 UTUYKJZHVSPDLI-UHFFFAOYSA-N 447.900 2.455 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSCc1c(C)noc1C 13100730 LVYZCVKDASXFKL-UHFFFAOYSA-N 439.559 2.493 0 40 IEAB CC(C)c1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 19463453 GYZDPCBMKQSPTD-HZPDHXFCSA-N 429.546 2.151 0 40 IEAB Cc1nc([C@@H]2CCCN(S(C)(=O)=O)C2)nc2c1CCC(=O)N2CCc1ccccc1 19739432 DIYWSNQSOSWBES-GOSISDBHSA-N 428.558 2.446 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(C)C(=O)CC3)C1 19741514 ATJQGWJEQHRFLE-AWEZNQCLSA-N 448.520 2.410 0 40 IEAB COC(=O)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1 20219672 KFCWIMDDEUWFMC-NRFANRHFSA-N 448.475 2.457 0 40 IEAB COc1ccc(F)cc1CN1CCN(CC(=O)N2CCN(c3ccccc3)CC2)CC1 22784954 KYKXPTUSOYUFEV-UHFFFAOYSA-N 426.536 2.301 0 40 IEAB O=C([C@@H](NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1)N1CCCC1 28903879 XCQKQIWWQADRIJ-QFIPXVFZSA-N 443.569 2.161 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cc(C(=O)OC)nn2)cc1 31648147 LKUIPBKFMNHPKJ-UHFFFAOYSA-N 430.442 2.031 0 40 IEAB Cc1ccc(N2N=C(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)NCC2=O)cc1 32684981 VLBYEUDZLCXRNK-UHFFFAOYSA-N 446.433 2.007 0 40 IEAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1 35311611 WEOPMPJZMBWZMC-JXFKEZNVSA-N 437.587 2.460 0 40 IEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCN(C(=O)Nc2ccccc2)CC1 40013069 CNNPNJXVNFZTBF-UHFFFAOYSA-N 427.505 2.008 0 40 IEAB COc1ccc(-n2ncc(C(=O)Nc3cccc(-n4nnnc4C)c3)c2C(F)(F)F)nn1 40090915 WPOWYEWCXPQITQ-UHFFFAOYSA-N 445.365 2.226 0 40 IEAB COc1ccc(Cn2nc3c(S(=O)(=O)N4CCCCCC4)cccn3c2=O)cc1F 49006300 MJKMKOITXZXZKK-UHFFFAOYSA-N 434.493 2.257 0 40 IEAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O 57520571 HTGOEMLJGUYLKB-UHFFFAOYSA-N 437.884 2.188 0 40 IEAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 72389054 RBGAAODYYARLAY-NVQXNPDNSA-N 449.551 2.297 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1Cc2ccccc2C[C@H]1C(N)=O 95949534 KTJBTESVRMJXOD-QHCPKHFHSA-N 431.540 2.077 0 40 IEAB CCN(CCNC(=O)CN(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccc(C)c1 105888871 QOBOHVYKSQTVCK-GOSISDBHSA-N 432.590 2.278 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCCN(c2cccc(C)c2C)S(C)(=O)=O)CC1 222628577 KUJRVDVNOOKATR-UHFFFAOYSA-N 425.551 2.150 0 40 IEAB CN1CCN(C(=O)C[C@H]2CN(C(=O)c3cncs3)CC[C@@H]2Oc2ccccc2)CC1 257219342 DGLSEGPUIFFUIJ-HKUYNNGSSA-N 428.558 2.217 0 40 IEAB Cc1cc(C)c2[nH]c(CCC(=O)N3CC[C@H](n4cnc5c(N)ncnc54)[C@@](C)(O)C3)nc2c1 257268735 MMYBLKGGQHSUDY-HJPURHCSSA-N 448.531 2.059 0 40 IEAB CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)c1ccc(OCCCN)cc1 257320653 VXTJMTNVLBVOES-UHFFFAOYSA-N 449.555 2.461 0 40 IEAB CCN1CCN(C(=O)c2ccc(=O)[nH]n2)[C@H](Cc2ccc(-c3cccc(OC)c3)cc2)C1=O 257333160 YAKCOBYKVXEZTG-JOCHJYFZSA-N 446.507 2.361 0 40 IEAB O=C1c2cccnc2C(=O)N1CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 390828757 BUVNJOJVWKECHU-UHFFFAOYSA-N 433.795 2.328 0 40 IEAB NC(=O)N1CCc2cc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)ccc21 512215869 LJLRMNAMLFWCNY-MRXNPFEDSA-N 432.484 2.495 0 40 IEAB COC(=O)[C@@H](CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O)Cc1cccc(C)c1 609310555 FIWGZTIFYMMOKW-WIYYLYMNSA-N 436.512 2.204 0 40 IEAB CCOc1ccccc1OCc1nn2c([C@@H]3CCCN(S(C)(=O)=O)C3)nnc2s1 1501040225 GZCVJUCWRJRKIK-CYBMUJFWSA-N 437.547 2.303 0 40 IEAB C[C@@]1(c2cccc(CNC(=O)NC[C@@H](O)c3cccc4ccccc34)c2)NC(=O)NC1=O 1630834801 SMQYVCHOPRJTBL-YKSBVNFPSA-N 432.480 2.427 0 40 IEAB CN1C(=O)COc2ccccc2CCCC[C@@H]2[C@H]1CCCN2C(=O)c1cc(O)nc(O)n1 1848354502 BCFJSYXNUKPJBJ-QZTJIDSGSA-N 440.500 2.125 0 40 IEAB CSc1ccc(OC(=O)[C@@H](C)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc1 5201572 UTPMZVGGVNZEHT-KDOFPFPSSA-N 432.498 2.106 0 40 IEAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@@H](C)C(=O)O)CC1 8791449 OBTZKGKFJMXNSU-ZGRYLRDCSA-N 441.569 2.438 0 40 IEAB biogenic Cc1cc(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 8918842 IDQGWYJIXFOPGF-MRXNPFEDSA-N 435.546 2.244 0 40 IEAB O=C(OCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9254629 DYFSCBDWWGHZDZ-KRWDZBQOSA-N 448.884 2.290 0 40 IEAB O=C(NCCCn1cnc2ccccc21)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 9378477 GAVAUWDJNPCXFW-SFHVURJKSA-N 442.541 2.314 0 40 IEAB CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)C1=O 9467490 OUGYKMZMBWWKPD-FQEVSTJZSA-N 430.486 2.161 0 40 IEAB Cc1cn2c3c(=O)n(CC(=O)OCc4ccccc4)c(=O)n(C)c3nc2n1C1CCCC1 10103026 GTYQJPVFYZCLPY-UHFFFAOYSA-N 435.484 2.316 0 40 IEAB Cc1ccc(NC(=O)CSc2nc(-c3ccco3)nc3c2c(=O)n(C)c(=O)n3C)cc1 11758257 CGSULDQLVDEEOR-UHFFFAOYSA-N 437.481 2.326 0 40 IEAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)c(OC)n1 12155967 GRUBDSGFXVTOIR-FSWDVZBNSA-N 439.921 2.351 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2OC(F)F)cc1 12825064 XIHSAZKMERCNJU-UHFFFAOYSA-N 441.456 2.183 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(c3ccccc3)CC2)c1 13056331 RXCFDDNQQSGZGI-UHFFFAOYSA-N 436.965 2.351 0 40 IEAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1 13566682 FHCHMIMMHGVLSU-UHFFFAOYSA-N 440.905 2.387 0 40 IEAB O=C(O)CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 13579061 NFXQGFZXKQCVHF-UHFFFAOYSA-N 428.397 2.057 0 40 IEAB CCCCN(C(=O)C[C@H]1OC(=O)c2ccccc21)c1c(N)n(CCCC)c(=O)[nH]c1=O 14623717 ITCMZQQRIIDNBU-MRXNPFEDSA-N 428.489 2.354 0 40 IEAB Cc1ccc(-c2nnn(CC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)n2)cc1 15553863 YKQUOTIHWWYKIK-UHFFFAOYSA-N 426.502 2.072 0 40 IEAB Cc1ccc(-c2cccc(C[C@@]3(C(N)=O)CN(C(=O)c4ccc(O)nn4)CCO3)c2)cc1 19212715 RHSZQKILUSMYRF-DEOSSOPVSA-N 432.480 2.097 0 40 IEAB O=C(c1ccccc1F)N1CCc2c(nc([C@@H]3CCN(CC4=CCCOC4)C3)[nH]c2=O)C1 19347680 XYKWUNJHFCVJNO-QGZVFWFLSA-N 438.503 2.244 0 40 IEAB CCN1CCC(CC(=O)N2CCC(c3nc4c(c(NC)n3)CCN(C(C)=O)C4)CC2)CC1 19710899 FXCQWCVMDGBIAC-UHFFFAOYSA-N 442.608 2.251 0 40 IEAB O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(Cc2ccccc2)CC1 20642605 MZYYJMFKFMIHRW-HXUWFJFHSA-N 447.564 2.479 0 40 IEAB Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1C 22329760 PYVWRUKKMRRCJY-INIZCTEOSA-N 438.571 2.350 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(CCn3nc(-c4ccccc4)ccc3=O)CC2)s1 23141284 RAMQIXCYTZJIML-UHFFFAOYSA-N 444.582 2.287 0 40 IEAB CN(CC(=O)NCC1(N2CCOCC2)CCCCC1)S(=O)(=O)/C=C/c1ccccc1 23654408 INIRQCNASIROJN-LICLKQGHSA-N 435.590 2.070 0 40 IEAB CCn1c(-c2ccc(C)cc2)cnc1S[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O 24942679 CWAILMQLOMOELG-ZDUSSCGKSA-N 427.530 2.222 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)CN2C(=O)c3ccccc3O[C@H](C)C2=O)cc1 27792923 MLGUMLVDDGJZPB-OAHLLOKOSA-N 444.509 2.350 0 40 IEAB COc1ccc(CN(C)C(=O)[C@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c(OC)c1 32674204 SQONWTZISDJCSS-HXUWFJFHSA-N 445.541 2.426 0 40 IEAB COc1ccc(CN2CCN(C(=O)CCn3nc(-c4cccs4)oc3=O)CC2)cc1F 32808814 CQFXUHFMNMUWEL-UHFFFAOYSA-N 446.504 2.447 0 40 IEAB O=C(NCCc1c[nH]c2ccccc12)NCc1ccccc1S(=O)(=O)N1CCOCC1 32862490 YQZOPUCOGIXWRD-UHFFFAOYSA-N 442.541 2.231 0 40 IEAB COc1ccc(CCN2CC(=O)N(c3ccc(C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 55387387 VCLJQAVCMBECSM-VQTJNVASSA-N 444.553 2.069 0 40 IEAB O=C(CN1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1)Nc1nnc(C2CC2)s1 72339748 CKKBGQRGIXJJQW-UHFFFAOYSA-N 441.513 2.280 0 40 IEAB CN(C)CCn1cc(NC(=O)C(=O)Nc2ccc(F)c(NC(=O)c3ccsc3)c2)cn1 79111292 NSJAMLRQCDVUIL-UHFFFAOYSA-N 444.492 2.475 0 40 IEAB COCCN1CCN(C(=O)[C@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3O2)CC1 100180386 LGYOZQTWGYVOCF-DQHAIFDPSA-N 427.545 2.122 0 40 IEAB CCS(=O)(=O)c1ccccc1C(=O)N1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 100725115 MFUHNIQMBPEXLX-DNVCBOLYSA-N 442.541 2.009 0 40 IEAB CC[C@@H](C(=O)NCCCN1CCOCC1)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220719512 BVLLYUMRQCVWCM-KRWDZBQOSA-N 431.986 2.032 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223077697 NMPBOQQBMOLQJH-IBGZPJMESA-N 449.548 2.454 0 40 IEAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225618908 QNJABPLCRSPWFM-OAQYLSRUSA-N 445.541 2.000 0 40 IEAB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Br)cc1 409215808 FMPJIVPLIUAZNV-UHFFFAOYSA-N 426.340 2.141 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cnn(-c4ccccc4C)c3N)CC2)c1 545258851 OVBSLAKNUNTCMR-UHFFFAOYSA-N 449.511 2.378 0 40 IEAB C[C@H](Oc1ccccc1F)C(=O)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148516 QCOGYXRNJJCXTB-LBPRGKRZSA-N 431.386 2.411 0 40 IEAB COc1ccc2nnc(CCC(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)n2n1 604404748 JXYHSMYKZZLOLR-GSRZOBFVSA-N 436.560 2.487 0 40 IEAB biogenic Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)N3CCN(c4nc(C)cc(O)n4)CC3)C2)c1 1178039544 XWCWSWMOBDPQDF-IBGZPJMESA-N 437.544 2.308 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(N2CCOCC2)cc1 2623637 WARHTGKDAPANGU-OAQYLSRUSA-N 429.542 2.238 0 40 IEAB CCCCn1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C 6530474 ASYDYDUJMFZFGW-UHFFFAOYSA-N 441.557 2.305 0 40 IEAB COC(=O)c1cc(NC(=O)C[C@@H]2OCCN(Cc3ccccc3)C2=O)cc(C(=O)OC)c1 9281896 GEZUUQMKMZPPML-IBGZPJMESA-N 440.452 2.016 0 40 IEAB CSc1nc(COC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc(=O)[nH]1 9731141 HNPZHWFJRCJQQC-UHFFFAOYSA-N 448.526 2.330 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cc1 10460534 QIHKJKSOIHDLFC-UHFFFAOYSA-N 429.542 2.493 0 40 IEAB O=C(COC(=O)c1sccc1S(=O)(=O)NC1CC1)Nc1ccnn1C1CCCC1 10565893 SQZMNIBGJYFDHN-UHFFFAOYSA-N 438.531 2.296 0 40 IEAB COc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nc(OC)n1 11765564 KHRWBKXPGKQIQU-UHFFFAOYSA-N 433.317 2.312 0 40 IEAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)N[C@@H]3CCS(=O)(=O)C3)cc12 11859342 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IEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nn3cnc4ccccc4c3=O)cc2)C1 14604697 UCGAXQFUWGOAJC-HOTGVXAUSA-N 440.525 2.447 0 40 IEAB CC(C)S(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccccc3)[nH]c2=O)C1 19451104 ATIVWTVODHJUMU-LJQANCHMSA-N 444.557 2.234 0 40 IEAB CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br 19680241 UWBTXLGDYAMZEC-VIFPVBQESA-N 447.170 2.019 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3cccnc3)CC1)C2=O 19699413 ATFUWTXQTAXLQG-UHFFFAOYSA-N 447.539 2.273 0 40 IEAB CCOc1ccc(N(CC(=O)N2CCN(CC)CC2)S(=O)(=O)c2ccccc2)cc1 20026866 CYQGISXQSMGKSL-UHFFFAOYSA-N 431.558 2.445 0 40 IEAB O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(Cc2ccccc2F)CC1 23440763 XXGKHLNNSHYVEP-SFHVURJKSA-N 439.487 2.294 0 40 IEAB COc1cc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc(OC)c1OC 24984038 KWVGMRVVCQAMEC-UHFFFAOYSA-N 442.515 2.047 0 40 IEAB CCCN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)Cc1ccccc1 32773273 QTJQGZFUNSKMBX-QHCPKHFHSA-N 437.540 2.409 0 40 IEAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCC(N)=O)c(OC)c3)C2=O)o1 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445.859 2.024 0 40 IEAB O=C(COc1ccccc1)NCCNC(=O)c1nc(CCn2ccc3ccccc32)no1 526052547 MUMPPWNTBMFIIY-UHFFFAOYSA-N 433.468 2.192 0 40 IEAB COc1ccc(CNC(=O)Cc2ccc(Br)cc2C)cc1S(N)(=O)=O 558128474 GGRQHOPITLPOBL-UHFFFAOYSA-N 427.320 2.272 0 40 IEAB O=C(CCc1ccccc1)N1CCC2(CCCCn3cc(nn3)COCCNC2=O)CC1 643564812 HQIDDWWIFFQSJK-UHFFFAOYSA-N 439.560 2.336 0 40 IEAB Cc1cc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)C(=O)NCCOCCO3)n[nH]1 643572807 ITTZWSRDLXNZOY-UHFFFAOYSA-N 434.496 2.378 0 40 IEAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O 676653404 ZAIUEMWQEZGVFI-IVZQSRNASA-N 427.505 2.168 0 40 IEAB CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)N1CCN(c2ccc(F)cc2)CC1 8720816 DWWVQXMUCPHCOL-UHFFFAOYSA-N 428.508 2.444 0 40 IEAB COC[C@@H](C)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1=O 9426559 ASWAUTKFGGEBME-IAGOWNOFSA-N 437.562 2.073 0 40 IEAB COc1ccccc1NC(=O)CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 9660785 NRQCUZWUOGRYEI-UHFFFAOYSA-N 440.475 2.359 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3cc(C)ccc3OC)n2)cc1 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IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1 16678230 RXCSRGZDMJKBID-UHFFFAOYSA-N 435.521 2.242 0 40 IEAB CCn1cc(S(=O)(=O)N2CCN(Cc3ccccc3Br)CC2)c(C)n1 17095333 OZKVLCWJDWWDRQ-UHFFFAOYSA-N 427.368 2.480 0 40 IEAB O=C(Cc1ccsc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339585 BCWNEZMYKYZZES-SFHVURJKSA-N 435.553 2.343 0 40 IEAB CN(C)S(=O)(=O)N1CC[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1 19583643 MMSIVHZGCMQWGM-QFIPXVFZSA-N 428.558 2.068 0 40 IEAB CNc1nc([C@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)nc2c1CN(C(C)=O)CC2 19710619 HKHVJWRMXZKOCY-INIZCTEOSA-N 441.507 2.347 0 40 IEAB COCCNC(=O)c1cc([C@H]2CCN(Cc3cnc(N(C)C)nc3)C2)nc2ccccc12 19761373 KSBHGMNOWIIFEI-SFHVURJKSA-N 434.544 2.457 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)NCc3ccccc3OC)n2N)c(OC)c1 21576038 OTZFAIKWYRBNFY-UHFFFAOYSA-N 429.502 2.093 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)C2=O 22983330 VTFANYNTXYRBRD-UHFFFAOYSA-N 434.802 2.052 0 40 IEAB CCn1c(=O)n(CC(=O)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)c2ccccc21 24024505 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IEAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc3ccccc3n2)CC1 72308517 AXSYRFNOBIPROF-INIZCTEOSA-N 439.541 2.031 0 40 IEAB CN1CC(=O)N(c2ccsc2)C[C@]12CCN(S(=O)(=O)c1cc(F)cc(F)c1)C2 96077308 YJMQPBDKWLZOTM-GOSISDBHSA-N 427.498 2.138 0 40 IEAB O[C@H]1C[C@@H](SC2=N[C@H](C(F)(F)F)C[C@H](c3ccc4c(c3)OCO4)N2)[C@@H]2CO[C@@H]1O2 101670834 HWZQGAWBBFDJRA-KEMLUZLYSA-N 432.420 2.345 0 40 IEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)N1CCCC1 219662533 GVPXHFGLNZPFIJ-UHFFFAOYSA-N 427.482 2.096 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1N1C(=O)CCC1=O 223042725 QQBRQDKJTWKAMU-UHFFFAOYSA-N 443.481 2.276 0 40 IEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCc2ccccc21 223135416 OLHMGDJIBZBWNB-QGZVFWFLSA-N 431.558 2.419 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2 224912659 VXROCPXCDIIDDG-UHFFFAOYSA-N 431.514 2.463 0 40 IEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NC[C@H]1COc2ccccc2O1 260890345 CIAMOJCHHJWZTJ-ZWKOTPCHSA-N 434.514 2.196 0 40 IEAB O=C(O)CCC(=O)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 2195075 CVDBZLDMVPLQGZ-INIZCTEOSA-N 442.399 2.080 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1 3244497 LKHGORAMRGNIKG-UHFFFAOYSA-N 434.514 2.238 0 40 IEAB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)N[C@@H]1CCS(=O)(=O)C1 8684937 UZXWFXMLKLTHHA-CYBMUJFWSA-N 430.507 2.423 0 40 IEAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccccc2)C1=O 8935669 RZQYKOITKBDQEY-NRFANRHFSA-N 446.410 2.081 0 40 IEAB CC(C)N(C(=O)Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)c1ccccc1 9000983 RTCZWTJXHMYCCT-UHFFFAOYSA-N 429.480 2.443 0 40 IEAB Cc1c(C)n(CCN(C)C)c2ncn3nc(CCCN4C(=O)c5ccccc5C4=O)nc3c12 9134712 SYNWVKPKXUQWBF-UHFFFAOYSA-N 445.527 2.486 0 40 IEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(C)c1ccc(F)cc12 9187009 MHAULFVECXBDFO-QHCPKHFHSA-N 436.395 2.320 0 40 IEAB COC(=O)c1ccc(CSc2nc(-c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)o1 9382384 BOBZQTUZPCKDLL-UHFFFAOYSA-N 438.465 2.366 0 40 IEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCCCc1ccccc1 9446883 HVFGIZMXZZJINS-FUHWJXTLSA-N 437.496 2.022 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C 9643367 CHZBPAMLXVDAEF-ZDUSSCGKSA-N 436.486 2.097 0 40 IEAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 9701666 BFLAKZSPIZTHNF-UHFFFAOYSA-N 431.426 2.276 0 40 IEAB COc1ccc(/C=C/C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)cc1OC 10704943 VOJCWEYRHABWQM-CSKARUKUSA-N 430.526 2.221 0 40 IEAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccc(OCC(F)(F)F)cc1 11984299 DXYANNMTEKPEHD-UHFFFAOYSA-N 440.422 2.427 0 40 IEAB COc1cc(NC(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)cc(OC)c1OC 12005992 CDDYQVMYQQJEPA-LBPRGKRZSA-N 434.470 2.277 0 40 IEAB NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)CCNC(=O)c2cccnc2)C1 12255708 IQBSXAJYFAJSGN-SFHVURJKSA-N 431.496 2.255 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1C 12895160 WJCAKEKTUJEOPS-UHFFFAOYSA-N 425.457 2.259 0 40 IEAB CCN(C(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1)[C@@H]1CCS(=O)(=O)C1 13127976 ZQBHWZNAJCZIEU-VXGBXAGGSA-N 430.577 2.259 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)Cn2c(=O)cnc3ccccc32)c1C 13165041 SAFHTFZOWJMLPI-AWEZNQCLSA-N 425.441 2.333 0 40 IEAB O=C(CSc1nnnn1-c1ccc(O)cc1)NC(=O)NC12CC3CC(CC(C3)C1)C2 13527539 GZDUAGKVGGXCJE-UHFFFAOYSA-N 428.518 2.255 0 40 IEAB Cc1noc(C)c1CNC(=O)C(=O)Nc1ccccc1C(=O)NC1Cc2ccccc2C1 13690050 IEKCNNMYQFJYNQ-UHFFFAOYSA-N 432.480 2.444 0 40 IEAB CC(C)N1C[C@H](c2cc(N(C)C)nc(CN(C)S(=O)(=O)c3ccccc3)n2)CC1=O 19700985 JBAJATLIAYMTKY-MRXNPFEDSA-N 431.562 2.088 0 40 IEAB Cn1cc(CCC(=O)N2CCc3nc(N)c(C(=O)N4CCOCC4)cc3C2)c2ccccc21 19701035 UYTVVLVFORMQBC-UHFFFAOYSA-N 447.539 2.145 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 19709925 OZXRTSPDTSTVND-LJQANCHMSA-N 431.562 2.437 0 40 IEAB COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 20745619 DDYUTIKTAPDSQQ-MRXNPFEDSA-N 425.460 2.172 0 40 IEAB O=C(CCn1cnc2ccsc2c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 24770668 MPJKDELTNCSDFG-UHFFFAOYSA-N 432.527 2.271 0 40 IEAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCC[C@@H]3COC)[C@H](O)[C@H]2[C@@H]1C 30883766 HFGCQFMPWRGLET-DENYHMJPSA-N 438.609 2.214 0 40 IEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)cc1[C@@]1(C)NC(=O)NC1=O 32927759 VKOZRPNSNZMGCS-LJQANCHMSA-N 437.905 2.224 0 40 IEAB COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(F)c3)c2=O)cc1Cl 40478196 NVJVTGYLZOUXIZ-UHFFFAOYSA-N 442.838 2.476 0 40 IEAB O=C(COC(=O)c1nn([C@@H]2CCS(=O)(=O)C2)c2c1CCCC2)Nc1ccccc1F 71195225 BGVHDIJFQGIYOV-CYBMUJFWSA-N 435.477 2.056 0 40 IEAB Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)nc21 72034436 BJIOGDQGTVPVRM-UHFFFAOYSA-N 437.431 2.130 0 40 IEAB COc1ccc(S(=O)(=O)N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)cc1 96226087 FJFTYBGBYZLSNR-OAQYLSRUSA-N 447.488 2.060 0 40 IEAB Cn1ccnc1C(=O)c1cccc(NC(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)c1 96232183 JIUBPDBIXVGAOQ-IBGZPJMESA-N 445.479 2.143 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2)cc1OC 113935415 PCYWBCQYRSMZMQ-UHFFFAOYSA-N 447.557 2.110 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)cc2C)cc1C(=O)N1CCOCC1 224035173 KAZMXASSOKHHSC-UHFFFAOYSA-N 448.541 2.142 0 40 IEAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1 224148942 HYFOTKFYCFCMQF-UHFFFAOYSA-N 431.558 2.272 0 40 IEAB Cc1cccc(OC[C@H]2C[C@@H](NC(=O)Nc3cccc(-c4noc(C)n4)c3)[C@H](O)[C@@H]2O)n1 225504539 CPAULDDPMOINFY-QOJCHSLYSA-N 439.472 2.059 0 40 IEAB biogenic,in-vitro COc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408663718 QHTBNJFMSPJPEF-YJKZWKBDSA-N 426.469 2.009 0 40 IEAB C/C=C(/C)C(=O)O[C@@H]1C(C)=C[C@@]23C(=O)[C@H](C=C(CO)[C@H](O)[C@@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C 584578845 VDJHFHXMUKFKET-KPAWPCSFSA-N 430.541 2.332 0 40 IEAB CCCNC(=O)N[C@@H]1C[C@H](C(=O)NCc2ccccc2)[C@@H](O)[C@H]1c1cnc(C(C)C)[nH]1 2332241887 BEUQLYZBJJLCCE-ONCXSQPRSA-N 427.549 2.392 0 40 IEAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 8987289 ZFNAOXCZQZFCGB-UHFFFAOYSA-N 431.905 2.067 0 40 IEAB COc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1S(N)(=O)=O 9120427 ILFUEVPABOCTFF-UHFFFAOYSA-N 428.392 2.350 0 40 IEAB Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc3c(c2)CCCC3)c1C 9252722 CLQHUCYUHHRCEW-UHFFFAOYSA-N 429.542 2.215 0 40 IEAB CCc1[nH]c(C(=O)OCC(=O)NCC(=O)Nc2cccc(C)c2C)c(C)c1C(=O)OC 9256094 JATYYOLDRCPHIU-UHFFFAOYSA-N 429.473 2.201 0 40 IEAB CCCCCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Cl)cc2)CC1 9714420 BRLHVWDTIGKBJR-UHFFFAOYSA-N 444.967 2.437 0 40 IEAB Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)OCCO3)no1 12028789 APXNGAVATQJLCG-KRWDZBQOSA-N 443.481 2.283 0 40 IEAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CN1C(=O)NC(C)(C)C1=O 13005526 URXBNOAAVNQAMK-UHFFFAOYSA-N 434.802 2.086 0 40 IEAB CCc1cc(C(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)sc1C 14511597 HHXAOVSJCCJEIJ-UHFFFAOYSA-N 442.541 2.393 0 40 IEAB Cc1ccc(Cl)cc1N1CCN([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 14920929 WGBANQUREXGAMV-HNNXBMFYSA-N 436.965 2.445 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)no1 18061251 UVNJTZDCVIDSEG-OKILXGFUSA-N 435.502 2.445 0 40 IEAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=O)n(-c3c(C)cc(C)cc3C)c1=O)NCC2 18176879 IPNWIKZPNYQBMP-HXUWFJFHSA-N 437.496 2.409 0 40 IEAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)[C@H](C)N2CCOCC2)c1 19080280 CKGFIBPRIMRKBL-SFHVURJKSA-N 435.528 2.458 0 40 IEAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@H](C)C(=O)NCc3ccco3)CC1)O2 19219058 YHEPMSJCLIEOER-WAIKUNEKSA-N 425.485 2.166 0 40 IEAB COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4cnn(C)c4)nc32)c1 19698630 QWQPHRDKGVCDFZ-UHFFFAOYSA-N 434.500 2.279 0 40 IEAB CCCc1cc(C(=O)N2CCC(CN3C(=O)NC4(CCN(CCC)CC4)C3=O)CC2)no1 19700685 ADPSYEAXHQJNHQ-UHFFFAOYSA-N 445.564 2.276 0 40 IEAB O=C1CN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)c2ccccc2N1 19868538 NTKSPVQZRMIPTI-UHFFFAOYSA-N 431.489 2.353 0 40 IEAB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 22796262 GYYBBYLCBPSFDN-NRFANRHFSA-N 428.508 2.268 0 40 IEAB COCCCNC(=O)c1nc(-c2ccco2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 32616523 JAHVFECSKKAPCN-CQSZACIVSA-N 432.502 2.126 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(=O)OCc2nc(-c3ccccc3)no2)cc1 32721627 HMAGVGSEJZANIT-CYBMUJFWSA-N 429.454 2.349 0 40 IEAB COc1ccc(C(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccc4c(c3)OCCO4)CC2)cc1 43729949 CUSYZMRRMHCHGV-UHFFFAOYSA-N 448.479 2.455 0 40 IEAB CCNC(=O)c1ccc(NC(=O)NCCS(=O)(=O)N2CCc3ccccc32)c(C)c1 48231664 IDLICALHIONPEM-UHFFFAOYSA-N 430.530 2.259 0 40 IEAB CS(=O)(=O)N1CCN(CCNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 48264987 ASXJRGHAOQSWMB-FQEVSTJZSA-N 433.599 2.213 0 40 IEAB O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCC[C@H](c2ccccc2)C1 72348130 UXMAESODYIAMSQ-SFHVURJKSA-N 428.496 2.020 0 40 IEAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 77261873 NAXNVSZMKPIQTM-BRSBDYLESA-N 431.432 2.270 0 40 IEAB biogenic,in-vitro COC(=O)c1cccc(N2CC(=O)N(CC(=O)Nc3ccc(OC(F)F)cc3)C2=O)c1 83897364 UBXYYYFAHQYHTC-UHFFFAOYSA-N 433.367 2.482 0 40 IEAB CS[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)C[C@@H]1N1CCCC1 95946057 AIPGSTOJPNHOIR-OALUTQOASA-N 441.594 2.262 0 40 IEAB COCCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cc(S(C)(=O)=O)ccc21 100872816 OUYMWAOFLULDSA-MRCUWXFGSA-N 448.522 2.280 0 40 IEAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1-c1nccs1 102439849 HMDPTVAYSHGQSZ-GASCZTMLSA-N 427.482 2.228 0 40 IEAB COc1ccccc1N1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccccc2)CC1 219710210 VTOZLKLXZRQILF-UHFFFAOYSA-N 431.558 2.445 0 40 IEAB CC[C@@H](C(=O)NCCCN1CCOCC1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220738036 LTWDAAFKHACEOC-SFHVURJKSA-N 431.986 2.032 0 40 IEAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224666870 RCEVWHLIJCBXCA-QRQLOZEOSA-N 443.519 2.409 0 40 IEAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 225560272 PAVASLQEPBUMGL-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB COc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC(=O)NCCc1nc2ccccc2[nH]1 257324995 WRALJDGZCPZYTC-NRFANRHFSA-N 435.528 2.136 0 40 IEAB C[C@H]1COc2ccccc2CCCCC2(CCN(C(=O)COCC(=O)O)CC2)C(=O)N1 643578703 GGIVPEDJWDEEPI-KRWDZBQOSA-N 432.517 2.007 0 40 IEAB COc1ccc(CNC(=O)Cn2nc3n(c2=O)C(=O)N(c2ccc(Cl)cc2)C3)cc1 1547201221 QNLJOZRHIIJEQS-UHFFFAOYSA-N 427.848 2.012 0 40 IEAB O=C(Nc1cc(F)ccc1F)N1CCN2C(=O)OC3(CCN(C(=O)C4CC4)CC3)[C@@H]2C1 1549160259 CBBLCVISKIEKDB-KRWDZBQOSA-N 434.443 2.404 0 40 IEAB CC(C)(C)c1nc2ccccc2n1C1CN(S(=O)(=O)c2ccc(OCC(N)=O)cc2)C1 1889291340 JOZICTSWUVIRLX-UHFFFAOYSA-N 442.541 2.444 0 40 IEAB CCN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(F)c(F)c2)CC3)C1=O 2055794387 SFGCQFYAOBKRMQ-NRFANRHFSA-N 441.544 2.061 0 40 IEAB COc1ncc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4ccc(F)cc4F)C3)C2)cc1C 2056226566 VCIKYCQTMZKHHY-NFBKMPQASA-N 447.482 2.353 0 40 IEAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(S[C@H](C)C(=O)NC(N)=O)nnc23)cc1 3522697 JQLHZHUFKULWOC-CYBMUJFWSA-N 436.497 2.076 0 40 IEAB COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)N3CCOCC3)n(C)n2)cc1 8635369 MADYDRQOURSWCF-ZVDOUQERSA-N 439.560 2.315 0 40 IEAB biogenic,in-vitro COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)NCC(=O)O 8686520 AFYZRFLOHJWLLM-GDNBJRDFSA-N 433.258 2.429 0 40 IEAB C[C@H]1CCN(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)c2ccccc2S1 9728761 LUJOTIUSDZFJRC-NSHDSACASA-N 433.921 2.005 0 40 IEAB O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 11906361 DAWYVUODBZULPZ-UHFFFAOYSA-N 445.316 2.316 0 40 IEAB CN(C)C(=O)[C@H]1CN(CCCOc2ccccc2F)C[C@@]12COc1ccccc1C(=O)N2 12124406 ZZKNDBZQIFESCF-HOYKHHGWSA-N 441.503 2.176 0 40 IEAB C[C@H]1CCc2c(sc3nc(SCC(=O)O[C@H]4CCS(=O)(=O)C4)nc(N)c23)C1 12557558 NLJDWJCTPNUUMX-UWVGGRQHSA-N 427.573 2.221 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1nc2ccccc2[nH]1 12628012 DKLURVAHQNWEFR-GOSISDBHSA-N 430.486 2.276 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)N[C@@H](CCSC)C(=O)O 12664459 WHXAGDDFGNLCJU-KMFMINBZSA-N 447.561 2.303 0 40 IEAB biogenic CC(=O)c1cccc(OCC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 13148495 MRMCBILKZIHCKG-UHFFFAOYSA-N 436.461 2.067 0 40 IEAB O=C(CN(C[C@@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1)NCCc1ccccc1 13501586 AQUZQMIQSMZFFB-SFHVURJKSA-N 444.557 2.228 0 40 IEAB O=c1c(Cl)c(Cl)cnn1CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 14242092 ARIMBZPHKZEPNN-IZZDOVSWSA-N 429.329 2.126 0 40 IEAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(C)=O)CC2)c1 14271687 BIKGJNRFCVQURG-UHFFFAOYSA-N 442.541 2.499 0 40 IEAB Cc1cccc2c1NC(=O)[C@@]21N[C@@H](Cc2ccc(O)cc2)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]21 16022005 NLLXPTRRSFTVMA-WKGYELDXSA-N 433.508 2.462 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@H]1c1ccccc1OC 17832051 NMQFHBLMVOAWQI-RTWAWAEBSA-N 436.512 2.224 0 40 IEAB COc1cn(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 18082298 MHRCOIWKWNDJHN-UHFFFAOYSA-N 444.488 2.167 0 40 IEAB Cc1ncc(-c2ccncc2)c(CN(C)C(=O)CCc2ccc(S(N)(=O)=O)cc2)n1 19286969 XZDLWFIANCQBEL-UHFFFAOYSA-N 425.514 2.086 0 40 IEAB CCCN1CCN(C(=O)c2n[nH]c(=O)[nH]2)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19502987 XVVMDWOHPMKANT-HXUWFJFHSA-N 433.512 2.318 0 40 IEAB CCN(CC)S(=O)(=O)N(C)Cc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19698555 JLHICBJIOCVUQK-UHFFFAOYSA-N 445.589 2.325 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(CC(=O)N2CCCCC2)C1 19702037 XJYNFMOLXNTZTM-MRXNPFEDSA-N 430.574 2.474 0 40 IEAB Cc1nc([C@@H]2CCCCN2C(=O)CN2CCCC2=O)ncc1C(=O)NCc1ccccc1 19764351 OBWUOHQPUQWLMY-FQEVSTJZSA-N 435.528 2.391 0 40 IEAB O=C1CCCc2c1cc(C(=O)NCCCN1CCOCC1)c(=O)n2-c1ccc(Cl)cc1 19857915 OPIGRGCCXNYYEO-UHFFFAOYSA-N 443.931 2.462 0 40 IEAB COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2C)cc1 20022236 BYCROLOPYGOVCV-KRWDZBQOSA-N 448.541 2.281 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C 22247396 TVGSFYCRCHMXAA-HXUWFJFHSA-N 432.542 2.142 0 40 IEAB O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(Cc2ccccc2)CC1 22664637 BCOZXEKSHSSLBV-LJQANCHMSA-N 436.512 2.091 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1OC 26111844 BKFZFHQNKZKFCZ-UHFFFAOYSA-N 443.481 2.379 0 40 IEAB NC(=O)CCN(C(=O)CN1CCC(C(=O)NCc2ccccc2)CC1)c1ccc(F)cc1 27367914 NIHHCVVCAXEFFM-UHFFFAOYSA-N 440.519 2.063 0 40 IEAB CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cn1c(SC(F)F)nc2ccccc21 30583802 YVVPLAJJFWVOKB-GFCCVEGCSA-N 432.518 2.281 0 40 IEAB COc1cc(C2=NN(C(C)=O)[C@H](N[C@@H](Cc3ccccc3)C(=O)O)C2)cc(OC)c1OC 36665005 FBKMIDJMPUHEBL-RXVVDRJESA-N 441.484 2.280 0 40 IEAB O=C(NCc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cccnc2)CC1 48302175 UQTRXBXLITXXBL-UHFFFAOYSA-N 428.436 2.317 0 40 IEAB COC(=O)/C=C/[C@@H](O)[C@@H](O)CC/C(C)=C/[C@@H]1C=C(C)[C@H](C)[C@@H]2[C@H](CC(C)C)NC(=O)[C@]12O 72320199 YUXUTEAAGHFKKH-VLHDPPFWSA-N 449.588 2.268 0 40 IEAB biogenic,in-vitro COc1cc(C(=O)N2CCC[C@@H](c3nn(CCNC(=O)C4CC4)c4ncccc34)C2)ccn1 72344707 YMKHBFSPTYJTCS-GOSISDBHSA-N 448.527 2.381 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 89643133 FGCFOBOEVXFZHN-GBESFXJTSA-N 437.606 2.085 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1OC 100033126 JWADTHIWEUFOBB-ROUUACIJSA-N 443.847 2.289 0 40 IEAB O[C@H]1C[C@@H](SC2=N[C@@H](C(F)(F)F)C[C@H](c3ccc4c(c3)OCO4)N2)[C@@H]2CO[C@@H]1O2 101670827 HWZQGAWBBFDJRA-AEBUUUDXSA-N 432.420 2.345 0 40 IEAB Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 138835373 QKXMSGNAAKKUDY-CQSZACIVSA-N 429.860 2.324 0 40 IEAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225064063 VJWUUMKFZDRUMH-SESVDKBCSA-N 439.556 2.314 0 40 IEAB C[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)C1 408614278 ALGHUEYEECJSOT-GJZGRUSLSA-N 445.903 2.207 0 40 IEAB CCCn1nccc1C(=O)N1CCO[C@@](COc2ccc(Cl)c(C)c2)(CC(N)=O)C1 585287511 YKBHRSQPZXUNOA-NRFANRHFSA-N 434.924 2.421 0 40 IEAB O=C1CN(C2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)C(=O)N1C1CC1 618256490 SDIKOTOQMBFQHP-UHFFFAOYSA-N 447.435 2.165 0 40 IEAB COC(=O)C[C@@H](CNC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccccc1 2109740 YCROBYNBHOLFOY-WDSOQIARSA-N 425.554 2.489 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccccc3)C2=O)cc1 2545853 COHDLMUUSOLKDA-VBKFSLOCSA-N 431.495 2.399 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cn(C)nc2C(N)=O)c(Cl)cc1Cl 2797621 YJQDOSNFIRINMF-UHFFFAOYSA-N 448.332 2.109 0 40 IEAB Cc1cccc(C)c1NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc2nsnc12 3248685 NFLLRZCVZIDKFV-ZDUSSCGKSA-N 448.526 2.157 0 40 IEAB Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)nc3ccccc3c2=O)cc1 3285540 QLGOKYJJXIJTIC-OAHLLOKOSA-N 443.550 2.090 0 40 IEAB COc1ccc(Cl)cc1NC(=O)Cn1nc2n(c(=O)c1=O)CCN2c1ccc(C)cc1 8849869 YHOHEQCWYKBFIE-UHFFFAOYSA-N 441.875 2.166 0 40 IEAB Cc1cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1CCCN(C)C 9421070 JZQLAOQBLQCUGE-UHFFFAOYSA-N 428.924 2.111 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)C1=O 9465860 NDRGZCKFQXGDIU-CMJOXMDJSA-N 441.459 2.403 0 40 IEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 9730173 KYTIFHKPVPNJIM-XMMPIXPASA-N 434.496 2.094 0 40 IEAB COC(=O)C1=C(CS(=O)(=O)c2ccc(OC)cc2)NC(=O)N[C@@H]1c1ccc(C)cc1 10273349 SIVKYQREDNPQNS-LJQANCHMSA-N 430.482 2.259 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(C(=O)CN4CCC(C)CC4)CC3)c(=O)c2c1C 12188641 SYPZVACXMWLMIV-UHFFFAOYSA-N 432.590 2.160 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 12425314 VFPATMIDXSKOIG-CXAGYDPISA-N 434.514 2.223 0 40 IEAB CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)N1CCOCC1 12971544 HTCGVNZMJUGVGO-NQIIRXRSSA-N 437.606 2.194 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)CC(=O)Nc1cccc(C)c1C 13056929 IJAMZGUECTZAJO-UHFFFAOYSA-N 446.573 2.371 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H]3CCOC(C)(C)C3)cc2)C1 13084511 UPOORBCRPUOJBY-JKSUJKDBSA-N 430.592 2.343 0 40 IEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13157000 IIIRKFWQJFZJIM-LJQANCHMSA-N 438.480 2.008 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 13685146 ARBNNRDPLWTYSP-QGZVFWFLSA-N 445.541 2.163 0 40 IEAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N(C)CC(=O)NC(C)(C)C 16376204 JJBDTKMNQQPYDO-UHFFFAOYSA-N 430.471 2.339 0 40 IEAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1 17982066 YRTMHMQOAAGHEU-QFIPXVFZSA-N 436.464 2.093 0 40 IEAB COc1cc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)cc(OC)c1OC 19549731 WNFMAAWWDJEPSI-ZDUSSCGKSA-N 427.548 2.347 0 40 IEAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CN(C(=O)COc1ccccc1F)CC2 19710291 RTYVRMPGYQAZBB-MRXNPFEDSA-N 441.507 2.347 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1C 20008614 VPOGIUPCNACJJU-AZUAARDMSA-N 432.542 2.188 0 40 IEAB O=C(Cn1nnc(COc2ccccc2)n1)N1CCN(Cc2nc3ccccc3s2)CC1 24602302 AYCZWSGUKFPTGK-UHFFFAOYSA-N 449.540 2.206 0 40 IEAB CCCC[C@]1(c2ccccc2)NC(=O)N(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 25115964 DBNWKPVZHQEPAY-MZNJEOGPSA-N 435.480 2.281 0 40 IEAB Cc1ccc([C@H](CNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)N2CCOCC2)o1 25399477 VKGPZFVEVHUKQJ-MJGOQNOKSA-N 427.501 2.282 0 40 IEAB COc1ccc(OC)c(CN2CCN(C(=O)CCn3c(=O)n(C)c4ccccc43)CC2)c1 29985073 RKKUNRTWJBJXPH-UHFFFAOYSA-N 438.528 2.092 0 40 IEAB CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCCNC(=O)c2ccccc2)cc1 31021744 YJGJIXIDOZIMKG-UHFFFAOYSA-N 431.558 2.199 0 40 IEAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 32882074 VPJFXFZVDXQXCF-IBGZPJMESA-N 440.887 2.249 0 40 IEAB CCOC(=O)c1sc(NC(=O)CNC(=O)N2CCN(c3ccccc3)CC2)nc1C 49546003 RZWCFHIFSSODQE-UHFFFAOYSA-N 431.518 2.099 0 40 IEAB CC(C)(C)OC(=O)N1CCN(CCNC(=O)Nc2ccccc2CN2CCOCC2)CC1 58032599 JQRFETJKOPQTAS-UHFFFAOYSA-N 447.580 2.193 0 40 IEAB CCOc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1OC 72347259 RUVMMODAMCRBRI-HZPDHXFCSA-N 428.533 2.349 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCCc2nnc3n2CCCC3)C(C)C)cc1C 95451060 FVQPPNMRZJRABJ-NRFANRHFSA-N 447.605 2.283 0 40 IEAB CN1C(=O)c2ccc(NC(=O)Cn3c(=O)oc4cc(Br)ccc43)cc2C1=O 95482152 QIMULAIILGRPHO-UHFFFAOYSA-N 430.214 2.222 0 40 IEAB CCS(=O)(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 100180526 RQOSPYKHBWRVGZ-FQEVSTJZSA-N 445.516 2.073 0 40 IEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@H]3C(=O)O)cc2)n1 217403880 YRDYXRXWPWGRKW-DTTOXWODSA-N 442.497 2.356 0 40 IEAB Cn1c(=O)sc2cc(NC(=O)CN(c3ccc(F)cc3F)S(C)(=O)=O)ccc21 225059624 RRTASPPCHBRYDL-UHFFFAOYSA-N 427.454 2.283 0 40 IEAB O=C1[C@@H]2[C@@H](C(=O)N1Nc1ccccc1)[C@H]1C=C[C@@H]2[C@H]2C(=O)N(Nc3ccccc3)C(=O)[C@@H]12 245265330 GAUSSJFFZJVPNW-APNJTCTJSA-N 428.448 2.059 0 40 IEAB Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 408659351 SDTRBTUDYDLBQP-CQSZACIVSA-N 429.860 2.324 0 40 IEAB O=C1NCCOCCOc2ccc(C(=O)N3CCC(CO)CC3)cc2Cc2cccc1c2 643575739 NONYQIATBVSGDA-UHFFFAOYSA-N 438.524 2.261 0 40 IEAB O=C(CCc1ccccc1)N1C[C@@H]2OCCS(=O)(=O)N(Cc3cccc(F)c3)[C@@H]2C1 1534645960 ZODZGXAAGHVVTO-RTWAWAEBSA-N 432.517 2.200 0 40 IEAB CN1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCN(C(=O)c2ccc(F)cc2)CC1 1772595264 HTCIRTPYSSIDHP-JOCHJYFZSA-N 436.531 2.416 0 40 IEAB O=C([C@H]1C[C@@H](NCc2ccc(F)c(F)c2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O)N1CCOCC1 2332241771 FNQQVRMUSROGGH-FCXXMXSZSA-N 446.498 2.047 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccccc2C)cc1 785526 YCCZUZAEPRLABZ-UHFFFAOYSA-N 429.542 2.223 0 40 IEAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1 806879 LOXUVBUAYYZPQF-UHFFFAOYSA-N 448.541 2.430 0 40 IEAB NC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 2642231 SFNULSAOVRXFRG-NRFANRHFSA-N 445.475 2.309 0 40 IEAB CSCC[C@H](NC(=O)c1ccco1)C(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1 4144438 MHFRRFRASORURA-ZFWWWQNUSA-N 439.534 2.221 0 40 IEAB COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4ccc(OC)cc4)CO[C@H]23)cc1 4235574 IHMZDJUQOYCCCB-MTQWCTHYSA-N 428.441 2.217 0 40 IEAB biogenic,in-vitro CN(C)c1ccc(-c2nnnn2[C@H]2CO[C@@H]3[C@H](OC(=O)NC4CCCCC4)CO[C@@H]32)cc1 8636536 GSKJIPYCYLQILY-MTQWCTHYSA-N 442.520 2.172 0 40 IEAB biogenic,in-vitro COCCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1nnc(-c2cccs2)o1 8965683 NBUPOBAPHYZDNL-UHFFFAOYSA-N 427.486 2.232 0 40 IEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C[C@H]1Oc2ccccc2NC1=O 9223210 YNCAFFFKKGMPCW-LJQANCHMSA-N 425.441 2.035 0 40 IEAB Cn1c(CCC(N)=O)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 9875232 QHZNFXKMDUDOEL-CYBMUJFWSA-N 444.542 2.358 0 40 IEAB CC(=O)c1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 10167571 IWWFZKYIBPZBJZ-UHFFFAOYSA-N 441.553 2.323 0 40 IEAB CCCCn1cnc2c1c(=O)n(CCN1C(=O)c3ccccc3C1=O)c(=O)n2CCCC 10581336 XSBPXTYEVVFLRR-UHFFFAOYSA-N 437.500 2.256 0 40 IEAB COc1ccccc1C(=O)N[C@H](C)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 12089011 KIGYERKAAGGBDN-QGZVFWFLSA-N 436.512 2.217 0 40 IEAB O=C(CCn1cnc2ccccc21)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142353 YUENXLURSFUJCH-UHFFFAOYSA-N 425.514 2.149 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCc2ccccc2OC(F)F)cc1 12825050 GFLVTXMWJSEONA-UHFFFAOYSA-N 441.456 2.231 0 40 IEAB CCOC(=O)/C=C1\SCC(=O)N1CCOC(=O)[C@]12CCC(=O)N1c1ccccc1S2 12909285 URWQCEKDRRKKMV-ZZODWALSSA-N 448.522 2.139 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(Br)c1 12918942 QAIGJZGCEBTLFF-UHFFFAOYSA-N 445.360 2.462 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 13100802 LBXPIUSKYDQJQT-QZTJIDSGSA-N 438.484 2.146 0 40 IEAB O=C(CCCSc1nc2ccccc2s1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 14116387 JNENYSXVLAAKBO-OAHLLOKOSA-N 439.628 2.500 0 40 IEAB COc1ccc(NC(=O)Cn2ccn(Cc3ccc(Cl)cc3)c(=O)c2=O)c(OC)c1 15675208 QKGSBFJYGWJZKH-UHFFFAOYSA-N 429.860 2.368 0 40 IEAB O=S(=O)(NC[C@@H](NNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 16758534 CXTCFFRFQHJCLC-HXUWFJFHSA-N 431.539 2.189 0 40 IEAB COc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)[C@@H](C)N(c3ccc(C)cc3)C2=O)cc1 18003799 ZIYGEPPOIWRITP-MRXNPFEDSA-N 438.484 2.258 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)cc1 19448202 WDSWYAGJROIZHG-FQEVSTJZSA-N 446.573 2.461 0 40 IEAB Cc1ccc(N(CC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c(C)c1 22328600 WSBMCZTUGLCLMB-MRXNPFEDSA-N 438.571 2.350 0 40 IEAB CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cnc4ccccc4n3)cc2)CC1 32727355 RLNFDUXHBSYMHG-UHFFFAOYSA-N 425.514 2.208 0 40 IEAB COc1cccc2c1N(CC(=O)NN1C(=O)N[C@@](C)(CCc3ccccc3)C1=O)CCC2 40072627 FITICBOAOJPNIR-DEOSSOPVSA-N 436.512 2.422 0 40 IEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 43730223 KLXSEWYZOJWNMM-AYQNDCLTSA-N 432.318 2.474 0 40 IEAB COc1cccc(CNC(=O)Cn2cnc3c(-c4ccncc4)nsc3c2=O)c1OC 49401681 GKPXIWBBLKAYOI-UHFFFAOYSA-N 437.481 2.249 0 40 IEAB O=C(CNS(=O)(=O)c1cccs1)N1CCO[C@@H](c2ccc(Br)cc2)C1 62512798 VDPBUKPZKBXBKP-CQSZACIVSA-N 445.360 2.389 0 40 IEAB Cc1nc([C@@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)ncc1C(=O)N1CCOCC1 72345583 FEYUZLDPSZXGAC-QGZVFWFLSA-N 441.507 2.215 0 40 IEAB CCN1CCN([C@@H]2CCN(C(=O)Nc3nnc(Cc4cccc(OC)c4)s3)C2)CC1 89977305 VFABUEYXSWTNFN-QGZVFWFLSA-N 430.578 2.381 0 40 IEAB CSc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1 224221547 YNXVWJNAMQIEPF-UHFFFAOYSA-N 430.573 2.016 0 40 IEAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 224739338 ADPIQZFGAOTWBM-HNNXBMFYSA-N 433.530 2.483 0 40 IEAB CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(OC)cc1)S(C)(=O)=O 225275418 KMCJHFUUVZCPDT-QZTJIDSGSA-N 434.514 2.196 0 40 IEAB COc1ccc(CCN2CC(=O)N(c3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 230037421 XRBXLGJBKUXHIP-UXHICEINSA-N 434.945 2.406 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3C)C2)cc1 408652636 GIKFYMZHLBSACH-INIZCTEOSA-N 439.468 2.069 0 40 IEAB Cn1nnnc1-c1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)c1 510981107 RSJIVOUUZPMSQN-INIZCTEOSA-N 430.472 2.244 0 40 IEAB O=C(CCCOCCc1ccccc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 513840935 JYXWILXSBJXHID-UHFFFAOYSA-N 437.606 2.291 0 40 IEAB O=C1NCCCc2ccccc2CN(CC(=O)N2CCOCC2)CCOc2ccccc21 643561965 GKMCUTABXXSREI-UHFFFAOYSA-N 437.540 2.102 0 40 IEAB C[C@]1(c2cccc(CNC(=O)NC[C@H](O)c3cccc4ccccc34)c2)NC(=O)NC1=O 1630834792 SMQYVCHOPRJTBL-GBXCKJPGSA-N 432.480 2.427 0 40 IEAB Cc1nn(C)c(C)c1CN1C[C@@H]2OCCCCc3ccccc3OCC(=O)N(C)[C@H]2C1 2037981121 VYGBTJMFNCBCEE-GMAHTHKFSA-N 426.561 2.480 0 40 IEAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCCCC2)c(OC)c1 828123 XRFAJMYBRNWETA-FQEVSTJZSA-N 447.557 2.442 0 40 IEAB COc1cccc([C@]2(C)NC(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)C2=O)c1 8850489 IRQHJRJDENRENW-FATZIPQQSA-N 436.468 2.226 0 40 IEAB O=C(Nc1nnc(SCC(=O)N2CCCC2)s1)[C@@H]1CC(=O)N(c2ccccc2)C1 8904006 LYPPGGSWJPCRAV-CYBMUJFWSA-N 431.543 2.244 0 40 IEAB O=C(NCc1ccccn1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 9715245 RIJNURRISMDGDN-SFHVURJKSA-N 447.513 2.230 0 40 IEAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 9751339 IJCXZMBEGGAJDN-GOSISDBHSA-N 445.541 2.129 0 40 IEAB CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)Nc1nnc(-c2ccccc2)o1 9959377 WGQXOIOTGRQVBE-UHFFFAOYSA-N 429.506 2.133 0 40 IEAB COC(=O)c1ccccc1NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1Cc1ccccc1 11845046 BJPGQOAMOWUQEM-UHFFFAOYSA-N 446.463 2.126 0 40 IEAB COc1cccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)c1OC 11859305 NJLHMMFSBDAMBF-PMUMKWKESA-N 425.363 2.203 0 40 IEAB CCOC(=O)CNC(=O)CSc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)SCC2 12140564 VQTGKWZZOPTALZ-UHFFFAOYSA-N 433.555 2.269 0 40 IEAB CC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1 13085007 IQGLNTKGXKYJNY-QFIPXVFZSA-N 443.569 2.012 0 40 IEAB Cc1c(C(=O)N[C@H](C)C(=O)N2CCC[C@@H](C(=O)CS(C)(=O)=O)C2)oc2c(C)cccc12 19236748 GFGASBDDQLCJBN-HZPDHXFCSA-N 448.541 2.020 0 40 IEAB COc1ccc(CCC(=O)N2Cc3cn(C)nc3[C@@H](C(=O)NCc3ccccn3)C2)cc1 19696097 JPYQQGQAZVNKFR-NRFANRHFSA-N 433.512 2.199 0 40 IEAB C[C@@H](Sc1nnc(C(F)(F)F)n1N)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 21202639 UMGIKNJSDIZGCE-KYKKZPFNSA-N 432.472 2.286 0 40 IEAB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)N1CCN(Cc2ccsc2)CC1 25397331 JWZUEJILMIBUNU-UHFFFAOYSA-N 427.979 2.414 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCc3sccc3C2)o1 30685289 SMMAQTUWEAFITR-AWEZNQCLSA-N 438.527 2.256 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 32743666 JFWAZWLNSGRAEI-UHFFFAOYSA-N 436.559 2.482 0 40 IEAB COc1cccc(CN2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1 36614468 PTRPUVGMVAQALL-UHFFFAOYSA-N 429.542 2.329 0 40 IEAB CCc1nc2nc3ccn(CCCN4CCOCC4)c(=O)c3c(-c3ccc(OC)cc3)n2n1 38828811 VYSMCYWEOOBVEO-UHFFFAOYSA-N 448.527 2.400 0 40 IEAB Cc1cc(C)c2cc(C(=O)O[C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 39536210 ZWMUDJARZWONQI-OAHLLOKOSA-N 443.525 2.336 0 40 IEAB Cc1nc(-c2ccc(CC(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)cs1 48300746 GYBUDZJDZRXEEJ-GASCZTMLSA-N 437.587 2.216 0 40 IEAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 48355758 PASQBSXLCMZKMV-KKSFZXQISA-N 442.539 2.402 0 40 IEAB O=C(NCc1ccco1)C(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945585 XTSNWITUJLDJRU-HXUWFJFHSA-N 440.475 2.308 0 40 IEAB COC(=O)c1ccc(OC[C@@H](O)CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 57527255 PNRBWPZWEWBQFY-SFHVURJKSA-N 431.485 2.297 0 40 IEAB CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3cccc(Cl)c3)NC(=O)N2)C1 67285554 QNTUDDDIPYPJCW-KSSFIOAISA-N 435.908 2.396 0 40 IEAB CCOC(=O)Cn1nc2nnc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)n2c1=O 72339926 DHVGJCCXVHWUPG-UHFFFAOYSA-N 435.440 2.200 0 40 IEAB C[C@H]1CN(c2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cn2)C[C@@H](C)O1 84713731 SKMWWCMEBPPFDR-ACSCVQKFSA-N 433.578 2.360 0 40 IEAB Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)c2ccc(Cl)cc2)c1 89702539 ZUJYUFQPWNHCSE-UHFFFAOYSA-N 426.907 2.282 0 40 IEAB NS(=O)(=O)C[C@H]1CCCN1c1nc(-c2cnccn2)nc2sc3c(c12)CCCC3 95460537 HEDNVAKLDRDINM-GFCCVEGCSA-N 430.559 2.284 0 40 IEAB CC[C@@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]12 96287314 VHFZKDXVPXFEJP-GHCZAOPSSA-N 432.480 2.004 0 40 IEAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 102178638 DPTGZSCEALXUMN-STQMWFEESA-N 425.407 2.278 0 40 IEAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 113939547 IQTBSENOAOLPGO-HNNXBMFYSA-N 434.514 2.216 0 40 IEAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCCN2CCOCC2)c1 224126458 KKNPCTXRAALDRD-UHFFFAOYSA-N 431.558 2.272 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCSc3nc(C)n[nH]3)C2)c1 225920124 WZDJRHZCAGQBPO-MRXNPFEDSA-N 437.591 2.039 0 40 IEAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)CC2)Nc2ncccc21 247755354 DDFXEHPUNBXZGB-XAEMIUIASA-N 425.533 2.127 0 40 IEAB Cc1cc(Nc2cc(N3CCN(C)CC3)nc(CC3CCN(C(=O)C4CC4)CC3)n2)[nH]n1 257265995 MBEFMNPLSWQFKP-UHFFFAOYSA-N 438.580 2.195 0 40 IEAB CS(=O)(=O)NC[C@H]1CC[C@]2(COCCN(Cc3ccc(C(F)(F)F)c(F)c3)C2)O1 306130535 JJABQMWCBJBCFC-PBHICJAKSA-N 440.459 2.144 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NCCN2CCOCC2)cc1)c1ccccc1 408598340 ZFOUVDCHMAMCAD-IBGZPJMESA-N 445.585 2.107 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C 408622252 MZXDROQELBXTSY-IBGZPJMESA-N 445.585 2.405 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408658056 KRPMUGRQAATUAZ-YJKZWKBDSA-N 426.469 2.009 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)c1 408665253 REJKRNIVRBRWLB-CQSZACIVSA-N 428.441 2.247 0 40 IEAB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(O)cc3O)c2=O)=N1 409043103 ZKYGJACOVPNZQS-OLROSQPISA-N 436.489 2.210 0 40 IEAB CS(=O)(=O)c1ccc(CN2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)cc1 585105053 ZVFCAHKRDMVBKM-QFIPXVFZSA-N 432.517 2.485 0 40 IEAB CCCOc1ccc(-c2nc3s/c(=C\c4ccc(OCC(N)=O)cc4)c(=O)n3n2)cc1 2258219 WMHFEJLELCQAAP-PDGQHHTCSA-N 436.493 2.019 0 40 IEAB COc1ccc(CN2C(=S)N(c3ccc(OC)cc3)[C@@H]3[C@H]4C[C@@H](O)[C@H](OC4=O)[C@@H]32)cc1 8253683 URSHABWCGPAQCV-ONUIULTDSA-N 440.521 2.354 0 40 IEAB biogenic,in-vitro CCOC(=O)C1=NN[C@@]2(c3ccccc3)C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 8451489 LTZMZVNKGSZTKP-FOIQADDNSA-N 442.269 2.356 0 40 IEAB CN(CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 8880827 GIHMAPHERUYSEZ-MRXNPFEDSA-N 436.555 2.171 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc(N(C)C)cc1 9127167 PYYFBEBVNBTADY-UHFFFAOYSA-N 447.557 2.353 0 40 IEAB COc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1 9303431 AZRPEZTUFIQIGN-HNNXBMFYSA-N 446.554 2.417 0 40 IEAB O=C(NC[C@@H]1COc2ccccc2O1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 9518885 MGKIZAXYPHXFOT-QGZVFWFLSA-N 447.491 2.403 0 40 IEAB COc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1C(=O)N1CCOCC1 10543845 WBGIGEDYWJNVRU-UHFFFAOYSA-N 448.541 2.433 0 40 IEAB COc1ccccc1NC(=O)Cc1noc(COC(=O)c2cccc(S(C)(=O)=O)c2)n1 11317977 RAXHBJYECWNKNU-UHFFFAOYSA-N 445.453 2.020 0 40 IEAB Cc1nn(CC(=O)N2CCN(c3ccccc3)CC2)c(=O)c2c1cnn2-c1ccccc1 12227851 JVHWRSAEFNOCAC-UHFFFAOYSA-N 428.496 2.239 0 40 IEAB CC(C)c1nnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)s1 12791188 CDXMFYWCDLWXKB-UHFFFAOYSA-N 439.563 2.001 0 40 IEAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 12945230 PPZJXNQKSIHJNN-WMZOPIPTSA-N 446.500 2.270 0 40 IEAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 12999474 WBGGWXYOVBUGBZ-UHFFFAOYSA-N 443.447 2.212 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)ccc3C)CC2)cc1 13039162 CLZYDVVLGRUEMR-UHFFFAOYSA-N 429.542 2.410 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc1 13165001 GYQMEMSMGWJKPQ-UHFFFAOYSA-N 432.926 2.483 0 40 IEAB O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccccc1 13609257 YNWGRABQVRDPDQ-UHFFFAOYSA-N 447.532 2.049 0 40 IEAB COc1ccc(-n2ncc(C(=O)[C@H]3CCCN(C(=O)CCn4nccc4C)C3)c2N)cc1 19238433 CHWWGNFTXVZYQN-KRWDZBQOSA-N 436.516 2.480 0 40 IEAB NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)C1 19372505 KNWMWYYZJHXQLG-CEMLEFRQSA-N 437.515 2.481 0 40 IEAB COc1coc(C(=O)N2CCC(c3cc4nc(N(C)C)ncc4c(=O)[nH]3)CC2)c1OC 19585741 RBLMKHSPEGJFNR-UHFFFAOYSA-N 427.461 2.014 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)CN3CCCC3)CCO2)c1 19692819 YGAXKMMIWDNHMF-HXUWFJFHSA-N 425.533 2.214 0 40 IEAB COc1ccccc1S(=O)(=O)N1CCCC[C@@H]1c1nc2c(c(N(C)C)n1)CN(C)CC2 19710285 VLBOXQZFNPRFGW-GOSISDBHSA-N 445.589 2.455 0 40 IEAB CN1CCN(C(=O)c2cccn(CC(=O)NC3CCCCC3)c2=O)[C@H](c2ccccc2)C1 19750096 NGTGXBXWLOJTCY-QFIPXVFZSA-N 436.556 2.426 0 40 IEAB CCc1[nH]c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)c(C)c1C(=O)OC 21006368 WIIOTIWTFLNICF-UHFFFAOYSA-N 435.502 2.415 0 40 IEAB CC(=O)N1C[C@H](C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)Oc2ccccc21 22286973 FIYRCYFBMAUWTO-IFMALSPDSA-N 427.476 2.129 0 40 IEAB C[C@H](OC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)Nc1ccc(N(C)C)cc1 23062465 NPFAJNLFZARTAK-AWEZNQCLSA-N 431.514 2.377 0 40 IEAB O=C(c1cccnc1N1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 23866305 DXGMIFHUNZRJCC-UHFFFAOYSA-N 440.569 2.317 0 40 IEAB C[C@H](C(=O)Nc1cccc2ncccc12)N1CCN(CC(=O)NCc2ccccc2)CC1 28179573 DDNXGFVHPVGESO-LJQANCHMSA-N 431.540 2.496 0 40 IEAB O=C(O)/C=C/C(=O)Nc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(c4ccccn4)CC3)c2c1 31819844 CUYCLVBISWHGTR-XYXUZSOXSA-N 449.467 2.090 0 40 IEAB CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2)CC1 32125198 QRZKWDDVQJHJHQ-UHFFFAOYSA-N 436.534 2.034 0 40 IEAB CCOCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 40128659 YWKIRXOBDIUCNL-UHFFFAOYSA-N 425.551 2.063 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC1CCCCC1 40140843 GLVNGVBQGKVYLH-UHFFFAOYSA-N 426.535 2.394 0 40 IEAB COC(=O)CN(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1 58004959 VJMGVPMQBOJLJI-UHFFFAOYSA-N 442.896 2.301 0 40 IEAB Cc1nc([C@@H]2CCCN2C(=O)CN2CCCC2=O)nc2c1CCCN2Cc1ccccn1 72372870 VSWLDRXSLSSEDJ-FQEVSTJZSA-N 434.544 2.419 0 40 IEAB O=c1n(CCNS(=O)(=O)c2c(F)cccc2F)nc(-c2cccs2)n1C1CC1 96096685 VGARBWJBBFCELK-UHFFFAOYSA-N 426.470 2.365 0 40 IEAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 219245170 MIYSQHPDVOAKPU-UHFFFAOYSA-N 447.492 2.147 0 40 IEAB NCCSc1nnc(C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)[nH]1 224979348 YNQMZAZTSSGIEZ-UHFFFAOYSA-N 446.396 2.186 0 40 IEAB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)C)s1 225390279 UZSPHKDELWZEHC-NSHDSACASA-N 425.536 2.462 0 40 IEAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NCC3CCOCC3)cn12 306129042 HSHDQEPGSKUZHL-NRFANRHFSA-N 440.592 2.363 0 40 IEAB CCOC(=O)[C@@H]1CN(Cc2ccco2)C[C@@H]2CN(C(=O)c3ccccc3C)CCN2C1 585108218 XZLSQXMMJHAWFO-WOJBJXKFSA-N 425.529 2.410 0 40 IEAB O=c1cc2c(nn1CC1CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC1)CCCC2 585500880 RFWMYXNDGDIMDA-UHFFFAOYSA-N 433.438 2.495 0 40 IEAB COc1ccc(CN2[C@@H]3CN(C4CCC(F)(F)CC4)C[C@@H]3OCCS2(=O)=O)cc1 1534645931 VSFYHLNLTSETEU-MOPGFXCFSA-N 430.517 2.488 0 40 IEAB Cc1cnc(CCNC(=O)[C@@H]2CN(C(=O)c3cccc(N4CCCC4)c3)CCN2C)s1 1848353529 HHUPMZUHAGARJJ-FQEVSTJZSA-N 441.601 2.167 0 40 IEAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)C(=S)NC[C@@H]1CCCO1)OCO3 890815 JYLLOBYDXRFVQN-DLBZAZTESA-N 445.541 2.291 0 40 IEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)no1 947844 UTNZRRXLPDCTID-UHFFFAOYSA-N 440.437 2.019 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1 3289491 JMIYFUZGRMPSPL-UHFFFAOYSA-N 428.413 2.057 0 40 IEAB CN(CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)Cc1ccccc1N1CCCC1 8725910 SQXPCXPVEAAJBR-XMMPIXPASA-N 435.528 2.217 0 40 IEAB COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5c4ccc(OC)c5OC)[C@H]3C[C@H]12 8951867 TTZWEOINXHJHCY-MDJXFETDSA-N 428.485 2.080 0 40 IEAB biogenic COc1cc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCO)cc(OC)c1OC 9243727 RWAHCDGQKCGGHC-HXUWFJFHSA-N 425.441 2.346 0 40 IEAB COc1cc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc(OC)c1 9674529 UQWSLXNFMAJWOM-ROUUACIJSA-N 443.847 2.289 0 40 IEAB CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 10791504 UXQKRFLHUUCVMK-UHFFFAOYSA-N 442.396 2.054 0 40 IEAB CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(F)cc1 10923233 JMSLXTMVDUUJKG-GPZRYRNASA-N 440.518 2.158 0 40 IEAB Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cccc(C(F)(F)F)c3)=C2)cnn1C 12155093 SRSUDEWHGJJUMN-UHFFFAOYSA-N 427.408 2.249 0 40 IEAB COc1cc(Cn2nc3n(c2=O)-c2cc(Cl)ccc2C2=NCCN23)cc(OC)c1OC 12184199 VJKSKNPZOPJAIQ-UHFFFAOYSA-N 441.875 2.342 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1S(=O)(=O)NC1CCCC1 12807070 TUSRRZLWCDUPIY-UHFFFAOYSA-N 444.557 2.274 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)N2CCN(c3ncccn3)CC2)cc1 12877455 VDVLFVFLDMNBPQ-QGZVFWFLSA-N 446.577 2.100 0 40 IEAB C[C@H](C(=O)N(C)C1CCCCC1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12888021 OLPXQQGLOHKBIE-OAHLLOKOSA-N 429.533 2.451 0 40 IEAB COCCCn1c(=O)c2sccc2n(CC(=O)NCCc2ccc(Cl)cc2)c1=O 13533247 SMIGFDZVUFCNMR-UHFFFAOYSA-N 435.933 2.274 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1=O 14201721 LHZFZCHOKSTGQV-VWLOTQADSA-N 448.523 2.373 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1NC(C)=O 15359009 ISDBZBNYUMBDNL-GFCCVEGCSA-N 426.516 2.097 0 40 IEAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)n1 19290040 ULDRDBITHKVYPZ-LJQANCHMSA-N 431.562 2.207 0 40 IEAB O=C(c1cccnc1)N1CCC[C@H](N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)C1 19699635 JIYALLSYDYCQJM-NRFANRHFSA-N 447.539 2.273 0 40 IEAB CCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3c(F)cccc3F)CC2)cc1 19831550 GEPGJNHFNKVFJX-UHFFFAOYSA-N 444.482 2.040 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)cc1 20143542 ANXTVHYYAGULNQ-UHFFFAOYSA-N 432.571 2.416 0 40 IEAB CCOc1ccc(CC(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc1 23134778 POIGVJOLESEEIX-UHFFFAOYSA-N 442.470 2.226 0 40 IEAB COc1cc(NC(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)cc(OC)c1 23135184 ABWOAZRGVJWQEM-UHFFFAOYSA-N 441.467 2.168 0 40 IEAB O=C(CCn1cnc2sccc2c1=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30255933 RNLQYPKWICLKGM-UHFFFAOYSA-N 429.477 2.364 0 40 IEAB O=C(COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 39654402 OCKOQSLFHQAPRV-LJQANCHMSA-N 434.489 2.229 0 40 IEAB CS(=O)(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2Br)CC1 40062158 RZNFTUCIANJBJF-UHFFFAOYSA-N 425.732 2.022 0 40 IEAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)C3CCN(C(=O)N(C)C)CC3)CC2)c1 40134126 DYRLYWLYAJOKEW-FQEVSTJZSA-N 429.609 2.405 0 40 IEAB CC(C)Cc1cc(C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n(C)n1 72338909 HYXVWOXCEDXEOM-FQEVSTJZSA-N 431.562 2.201 0 40 IEAB COC(=O)C[C@@](O)(C(=O)c1ccc(Cl)cc1)[C@H](O)[C@H](O)C(=O)c1ccc(Cl)cc1 85224948 XYRDGHQDDWNESS-MISYRCLQSA-N 441.263 2.075 0 40 IEAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)N4CCOCC4)CC3)c3ccccc32)CC1 96242271 WEOSTBCYXDCUHR-HXUWFJFHSA-N 440.588 2.124 0 40 IEAB COC(=O)[C@@H]1[C@@H]2C=C[C@@]3([C@@H]1C(=O)OC)[C@H]1Cc4ccc(OC)c5c4[C@@]3(CCN1C)[C@]2(C)O5 96316399 QCYVGCPBTZGMEM-SZTGVVSUSA-N 439.508 2.109 0 40 IEAB biogenic,in-vitro CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccccc1OC 106615753 UYFCAJYZUVLUDS-FOIQADDNSA-N 445.516 2.141 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222600549 OGHSOOPYWOHYSS-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222973514 ISCMFTDIKSSKSV-RYQLBKOJSA-N 429.492 2.020 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)CC1 223101779 OQFNNOMTRWOTCI-UHFFFAOYSA-N 434.290 2.234 0 40 IEAB CCCSc1nnc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)s1 223206053 JOUTUFCBERBNIE-UHFFFAOYSA-N 430.533 2.174 0 40 IEAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 223788165 DGQVEGCLEZTCFD-UHFFFAOYSA-N 435.502 2.221 0 40 IEAB C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 224559114 LVKMOHORJDGCQB-QGZVFWFLSA-N 449.548 2.129 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)/C=C/c2cc(F)ccc2F)CC1 240002227 PPODGORDABKISM-UHFFFAOYSA-N 438.500 2.252 0 40 IEAB Cc1ccc(CC(=O)N2CC[C@@H]3Cn4c(nn(Cc5cccc(F)c5)c(=O)c4=O)[C@H]3C2)cc1 306137491 QXSYNADOPGDMOZ-CTNGQTDRSA-N 448.498 2.089 0 40 IEAB Cc1c(C(=O)Nc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)cnn1-c1ccc(O)nn1 556481867 UABDYWFMTPSPPY-QFIPXVFZSA-N 447.455 2.154 0 40 IEAB O=C(CO[C@@H]1CSC2(C1)CN(C(=O)Cc1ccc3c(c1)CCCO3)C2)N1CCCC1 575403688 JYJOOXJGLVRSQJ-IBGZPJMESA-N 430.570 2.280 0 40 IEAB COc1cc(CN(C)C[C@@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 585272688 LWXALSSGOLFYRW-OAQYLSRUSA-N 430.545 2.278 0 40 IEAB C[C@]1(c2cccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)c2)NC(=O)NC1=O 642597342 XPMDCTHRLKAQHU-NPMXOYFQSA-N 438.459 2.371 0 40 IEAB O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2ccccc2)CC1 2966782 JTPIHIOQSLMCOY-LJQANCHMSA-N 433.537 2.483 0 40 IEAB Cc1ccc(NC(=O)Cn2nc3n(c(=O)c2=O)CCN3c2ccc(F)cc2)cc1Cl 8849053 SNAUZPGYVUSCGL-UHFFFAOYSA-N 429.839 2.296 0 40 IEAB CCCCNC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 9154157 PCSNYGATBWXADB-UHFFFAOYSA-N 440.566 2.298 0 40 IEAB CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1CCc1ccccc1 9245451 PCHGXJDZLLJSDY-HXUWFJFHSA-N 428.554 2.237 0 40 IEAB COCCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 9493965 AZGQYYXHFBBGKN-UHFFFAOYSA-N 447.557 2.189 0 40 IEAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N1CCN(Cc2nc3ccccc3s2)CC1 9738596 YZQRAUWEJGTYOR-UHFFFAOYSA-N 449.536 2.034 0 40 IEAB CCOC(=O)C1=C(COC(=O)CCc2c(C)nn(-c3ccccc3)c2C)NC(=O)N[C@H]1C 9795786 XQNGPLSLOCGNCG-HNNXBMFYSA-N 440.500 2.483 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(N4CCCC4)cc3)cc2)C1=O 11858241 LFOKSJAFCIFEMQ-HNNXBMFYSA-N 449.554 2.400 0 40 IEAB O=C(c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl)N1CCN(c2ccccc2)CC1 11859492 KUJAYYYWDKNVQL-UHFFFAOYSA-N 433.917 2.369 0 40 IEAB Cc1cc(C(F)(F)F)n2nc(C(=O)N3C[C@H]4CCc5c(nc(C)[nH]c5=O)[C@H]4C3)cc2n1 12133992 GOUAYUNNBARVEP-YPMHNXCESA-N 432.406 2.250 0 40 IEAB Cc1c(S(=O)(=O)N2CCC(O)(Cn3ccc4ccncc43)CC2)cnn1C(F)F 12222884 PZCPOWOBAXIVKD-UHFFFAOYSA-N 425.461 2.152 0 40 IEAB CCn1c(CN2CCn3cccc3[C@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12559365 AVVIQDUMQBGPGN-QGZVFWFLSA-N 443.573 2.455 0 40 IEAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)NC(=O)[C@H]1COc2ccccc2O1 12778792 OTYFALYOCCKUQW-GOSISDBHSA-N 447.476 2.390 0 40 IEAB O=C(c1cc(S(=O)(=O)N2CCCC2)c[nH]1)N1CCN(C/C=C/c2ccccc2)CC1 12917201 PYEXVXRFNJQZMX-RMKNXTFCSA-N 428.558 2.270 0 40 IEAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(=O)/C=C(/C)C(=O)O)cc2)cc1 13579301 PNTGGPGUJGNPLI-QBFSEMIESA-N 440.408 2.238 0 40 IEAB CCCn1nc(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)ccc1=O 14199904 FMJCOPJXZFWWNB-UHFFFAOYSA-N 448.545 2.479 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N[C@H](C)CCc2ccccc2)c1 15978423 YHDIKSNHVPGLRR-MRXNPFEDSA-N 428.485 2.114 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=CC=NN2[C@H]3C(=O)c2ccccc2)cc1 18084498 UTYXMQOBMVGVFW-IVAOSVALSA-N 429.432 2.209 0 40 IEAB COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)OCC(=O)Nc2cccc3nsnc23)cc1 19077563 ZLHQLIYXHGUNOM-RUNBWSAHSA-N 440.481 2.400 0 40 IEAB COCCn1nnnc1[C@@H](c1cccc(OC)c1OC)N1CCN(C2CCCCC2)CC1 19594038 HYGFDBAFMHUPCE-OAQYLSRUSA-N 444.580 2.376 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(Cc3ccncc3)C1)C2=O 19699658 SSQMZOBEGIYUHL-OAQYLSRUSA-N 447.539 2.273 0 40 IEAB Cc1nccn1C[C@@H]1CCCN(C(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)C1 19749262 VMMPRGWSEGGUIO-NRFANRHFSA-N 447.539 2.222 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)ncc1C(=O)NCc1ccccc1 19763456 PHDODHBTOOAFGA-IBGZPJMESA-N 435.528 2.043 0 40 IEAB COC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009964 LPBBIDUWRGLRQQ-PBHICJAKSA-N 440.949 2.389 0 40 IEAB O=C(NCc1ccc(Cl)cc1)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 20768895 RYCIYPXQUAPTSM-UHFFFAOYSA-N 449.960 2.447 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(CN3C(=O)C(=O)c4cc(F)ccc43)CC2)cc1 23846637 OQYYWZJSQHSCKV-UHFFFAOYSA-N 431.489 2.018 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)NCCCO)c2C)cc1 28467308 XSBRZVKAMJNFGW-UHFFFAOYSA-N 426.560 2.098 0 40 IEAB CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O 28754990 VZNRQPPTKGODOX-QFIPXVFZSA-N 432.521 2.363 0 40 IEAB O=C1CCC(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)=NN1c1ccccc1 32983142 PTJFAHKHOZHEDT-IBGZPJMESA-N 425.510 2.385 0 40 IEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3C(=O)NC4=O)cc2)C1 36666908 MTCOCCXFPVLDIX-KBPBESRZSA-N 441.509 2.489 0 40 IEAB CCOC(=O)CNC(=O)CSc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 43939685 BSHQWNBVNFIGSC-UHFFFAOYSA-N 447.498 2.217 0 40 IEAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC(=O)N(C)C(C)C)CC1 48333366 VDVKDSVXHUHMNY-HXUWFJFHSA-N 430.528 2.400 0 40 IEAB COc1ccccc1C(=O)N1CCN(Cc2ccnc(N3C[C@@H](C)O[C@H](C)C3)n2)CC1 72348156 FKJYKIDXXGVLNV-QZTJIDSGSA-N 425.533 2.057 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N[C@@H](C)CCc1cccn1C 78947233 NUOLPONAYJSOGD-KSSFIOAISA-N 449.602 2.470 0 40 IEAB O=C1CN(C(=O)Nc2ccc(I)cc2)C2(CCCCC2)C(=O)N1 95446443 SBAJUSXSQLQKCX-UHFFFAOYSA-N 427.242 2.484 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96025558 FHHHXZIHMVVBLF-CYBMUJFWSA-N 429.541 2.162 0 40 IEAB Cn1ccnc1C(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)c1 96118316 OUEMSPZDZBXDLL-SFHVURJKSA-N 431.452 2.121 0 40 IEAB C/C(Nc1c(C)n(C)n(-c2ccccc2)c1=O)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 101037315 WTKCUONKTJEZDR-XDJHFCHBSA-N 445.479 2.449 0 40 IEAB CCOC(=O)C1=C(O)C[C@]2(O)[C@@H](C1)C[C@@]1(OC)OCC[C@@H]3C(C)=CC[C@H]2[C@]31C(=O)OC 103883895 LAOGNELAYWGEFM-SVKRNBEBSA-N 436.501 2.411 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2F)cc1 219141823 BLGDGKNZUXTTLK-UHFFFAOYSA-N 435.521 2.240 0 40 IEAB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(C)c1 224904041 YIPQCOCHDHFUOK-UHFFFAOYSA-N 448.497 2.498 0 40 IEAB COC(=O)c1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225850805 VELFXPMWYNOBSU-CYBMUJFWSA-N 436.486 2.284 0 40 IEAB O=C(C[C@]1(COc2ccc(F)cc2)CCCN(C(=O)c2cc[nH]n2)C1)N1CCOCC1 257332051 XVNHZFOJSVKOFG-JOCHJYFZSA-N 430.480 2.099 0 40 IEAB Cc1ccc2nccc(N3CCC[C@](O)(CN(C)C(=O)c4ccc(OCCN)cc4)C3)c2n1 257334562 YGLJRCACPFCAPJ-VWLOTQADSA-N 449.555 2.379 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@]12CCC(=O)N1c1cc(Cl)ccc1S2 506701704 YAQRJNYZRNJPDV-WHWRDJHUSA-N 443.978 2.103 0 40 IEAB CN(Cc1c(F)cccc1Cl)C(=O)Cn1cnc2c(nnn2-c2ccccc2)c1=O 508522351 QVABGYDMGNBZQE-UHFFFAOYSA-N 426.839 2.428 0 40 IEAB O=C(CN1CCC[C@]2(CCCN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)C1)N1CCCC1 2056223230 LWULZSDANWQWRK-QHCPKHFHSA-N 447.601 2.111 0 40 IEAB O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc(-n2cnnn2)cc1 3308531 KMBVBRXIMKVRMF-GZTJUZNOSA-N 438.444 2.268 0 40 IEAB CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)NC1CCCC1 9717160 DBTBFDOSRBXDSW-UHFFFAOYSA-N 438.594 2.024 0 40 IEAB COc1cc(Cl)c(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1OC 10592909 QAXZITGQKWGSCI-UHFFFAOYSA-N 436.896 2.157 0 40 IEAB Cc1cc(=O)n2c3c(cc(S(=O)(=O)NCCOc4ccc(C(=O)O)cc4)cc13)CCC2 12444944 BFECISASGDELKC-UHFFFAOYSA-N 442.493 2.312 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cc(-c3ccccc3)[nH]n1)n2CC 12520539 XSZYFMMIJYTBPE-UHFFFAOYSA-N 436.472 2.453 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C3CC3)n2C2CC2)C1=O 12621976 CAKMRYVGNDVIKP-OAQYLSRUSA-N 440.529 2.471 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCCO4)CC2)cc1 12884276 QYLKZXCGOZJCES-UHFFFAOYSA-N 430.526 2.483 0 40 IEAB O=C([C@H]1COc2ccccc2O1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 12894268 FDLDFNBJQQOITA-QGZVFWFLSA-N 440.880 2.152 0 40 IEAB COC(=O)c1sc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(C(=O)OC)c1C 13119959 OTARPGGUQWCUKE-UHFFFAOYSA-N 426.472 2.449 0 40 IEAB O=C(NCc1ccc(Cl)cc1)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 13139654 FWOUZRNEKCOGOQ-DOTOQJQBSA-N 429.325 2.434 0 40 IEAB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2ccsc2)CC1 14166128 CVKJFTWIZGKCST-LJQANCHMSA-N 437.562 2.385 0 40 IEAB CC(C)CCn1cnc2c1c(=O)n(CC(=O)NCC(C)C)c(=O)n2Cc1ccccc1 15982420 ULKBJRVMOCPVLX-UHFFFAOYSA-N 425.533 2.226 0 40 IEAB CS(=O)(=O)N1CCc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21 19819373 KLQHJIJWDRPGDD-UHFFFAOYSA-N 449.554 2.046 0 40 IEAB C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@@H](C)O1 21049095 CVBWABCXXKLQLS-ZIAGYGMSSA-N 431.986 2.208 0 40 IEAB COc1ccc(CCCNC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 22333828 DMFWNGMXGJQPBJ-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCCC2)Nc1ccccc1F 22909112 ADISYQGYURYKFP-UHFFFAOYSA-N 446.548 2.324 0 40 IEAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)N4CCN(C(=O)c5ccco5)CC4)cnc3c2c1 23125622 LHAVWVCLXZMMET-UHFFFAOYSA-N 433.468 2.154 0 40 IEAB CCC(CC)[C@H](CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)N1CCOCC1 24836877 DRJYKDRMGWSRDV-NRFANRHFSA-N 437.606 2.266 0 40 IEAB CO[C@H](C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12)c1ccc(Cl)c(Cl)c1 30691438 JKXQBIZCQJLVOS-OXJKWZBOSA-N 433.313 2.313 0 40 IEAB biogenic,in-man CCOC(=O)C1=C(Cn2cnc3sc(CC)cc3c2=O)NC(=O)N[C@@H]1c1ccco1 32747080 HZHNLLQOCXVGMX-MRXNPFEDSA-N 428.470 2.485 0 40 IEAB COC(=O)CNC(=O)c1ccc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 32915816 UNOIOFUTZYKNDS-UHFFFAOYSA-N 443.847 2.490 0 40 IEAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)Nc1ccccc1 32946844 XHSVQEDHVHQWQS-QAPCUYQASA-N 432.498 2.328 0 40 IEAB Cc1ncc(CNC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)s1 40158529 DDOHRISVGWEWTG-UHFFFAOYSA-N 425.440 2.441 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc1 67320230 SQLDFVFKDRBMMU-UHFFFAOYSA-N 425.416 2.262 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)C(=O)NCC(O)(c1cccs1)c1cccs1 90617654 ACCROKHHGGMBQL-UHFFFAOYSA-N 430.507 2.207 0 40 IEAB O=C1OCC[C@H]1N1CCC(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1 95455707 GTGUMPOBGPXAHQ-CYBMUJFWSA-N 437.743 2.161 0 40 IEAB COc1ccc(OC)c(NC(=O)CN2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)c1 95466706 MIQOQDXFICWAMB-OAQYLSRUSA-N 446.935 2.140 0 40 IEAB NS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCN(C[C@H]3CCCc4ccccc43)C2)c1 96012306 WFWCGTFDFRIJGM-UXHICEINSA-N 427.570 2.392 0 40 IEAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2ccc(C)cc2)CC3)C1=O 96144425 PVUSXAYACQRCKA-VWLOTQADSA-N 440.588 2.382 0 40 IEAB CC(=O)N1CCc2nc3cc(C4CCN(C(=O)C5[C@H]6CCCC[C@@H]56)CC4)nn3c(O)c2C1 100243037 NKZLXCGRYDIFNM-AQKKSAQBSA-N 437.544 2.482 0 40 IEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)C(C)(C)NS(=O)(=O)c1cccs1 100724624 BHAKOJRISVMGQM-UKRRQHHQSA-N 445.570 2.445 0 40 IEAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN(C)C)c(Cl)c2)cc1 224250735 BRBPFQYCVRTZID-UHFFFAOYSA-N 425.938 2.465 0 40 IEAB COCCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)c(Cl)c2)cc1 408561851 WARZJMGTHMIEQX-UHFFFAOYSA-N 428.894 2.291 0 40 IEAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408653691 FKLFOBRAOBBFRA-WPCMGHOJSA-N 438.480 2.203 0 40 IEAB COc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 408663469 YJQWYGNYLITLKZ-ZDUSSCGKSA-N 445.859 2.024 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3O)cc2)cc1 511998740 BOBYVEKADMNUGX-UHFFFAOYSA-N 425.466 2.143 0 40 IEAB CCS(=O)(=O)Nc1ccc(NC(=O)CCn2c(=O)nc(O)c3ccccc32)cc1C 617210965 HIQFAGAICNVNPM-UHFFFAOYSA-N 430.486 2.201 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)CC1 916211 VIECGKKSTUXDFA-UHFFFAOYSA-N 431.558 2.427 0 40 IEAB COc1ccc(CO[C@@H]2C3OC4O[C@H]2C(O)[C@@H](O4)[C@@H]3OCc2ccc(OC)cc2)cc1 2538949 OOEMZLZGBFOQOC-AZNIRWEHSA-N 430.453 2.015 0 40 IEAB COC(=O)c1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C)c(C)c2)ccc1OC 3414229 WZIIDINMRJKVLR-OAHLLOKOSA-N 434.514 2.082 0 40 IEAB CCn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nc2c1c(=O)n(C)c(=O)n2C 6198406 JOAVBAUPSRJPFV-UHFFFAOYSA-N 443.573 2.373 0 40 IEAB COCC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc(SC)cc4)cc3C(=O)N2C1 8294983 BIGPDWCTZIUXLF-KXBFYZLASA-N 425.510 2.373 0 40 IEAB biogenic,in-vitro CNCC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4cccc(C(F)(F)F)c4)cc3C(=O)N2C1 8296972 NYYBJOOSRHOGKA-YJBOKZPZSA-N 446.429 2.243 0 40 IEAB biogenic,in-vitro COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CC(=O)N2CCOCC2)CC1=O 8871366 CLZJERVCWBFFNA-KRWDZBQOSA-N 434.496 2.424 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C)CC1 9382270 ZGBUSBAUYRKYNW-UHFFFAOYSA-N 428.518 2.356 0 40 IEAB O=C(COC(=O)c1cccs1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 9438527 QHGHWLCMSAMQGN-UHFFFAOYSA-N 444.918 2.218 0 40 IEAB O=C(CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1)NC[C@@H]1CCCO1 9482988 STNXWXXVQZTILD-AWEZNQCLSA-N 439.559 2.390 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)CC1 9590671 JOCIEDKHDBEZPB-UHFFFAOYSA-N 449.960 2.165 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 12700192 MLFNZSKODCGILU-UHFFFAOYSA-N 429.420 2.481 0 40 IEAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)C(=O)O 12794432 BSBLECUIYOTRTL-SECBINFHSA-N 442.843 2.349 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cc(F)cc(F)c3)CC2)cc1 12893996 SEJRDEGIYYGPAZ-UHFFFAOYSA-N 430.498 2.405 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cnc2n(c1=O)CCS2 12896150 UUDILIISUJGFQY-UHFFFAOYSA-N 434.543 2.166 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(S(N)(=O)=O)c3)cc2)CC1 13096662 XHOZSVAMCDANIZ-UHFFFAOYSA-N 437.543 2.007 0 40 IEAB Cc1ccc([C@]23CCC(=O)N2[C@@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)CS3)cc1 13150154 YCBPYBOXKHJNSA-YLJYHZDGSA-N 431.539 2.172 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 15607159 IGRJIJKLESGZTB-NRFANRHFSA-N 444.553 2.296 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@@]23C(=O)Nc2c(C)cccc23)c1 16026854 NRVIXZWDGPUGHO-OFWYVSERSA-N 425.485 2.157 0 40 IEAB COc1ccc(NC(=O)CN2CCO[C@@H](c3nccnc3-c3ccc(C(N)=O)cc3)C2)cc1 19693246 YDOFBTVLUFYSHP-HXUWFJFHSA-N 447.495 2.263 0 40 IEAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc(OC)c(OC)cc3C(=O)OC)ccc21 19936857 TWKMGZJFXAGRAL-UHFFFAOYSA-N 436.442 2.219 0 40 IEAB Cc1ccccc1Cn1c(CN2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C 20533331 MIFFODLOBTVTMT-UHFFFAOYSA-N 429.524 2.349 0 40 IEAB CCN1CCN(CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]23C(=O)Nc2ccccc23)CC1 20636515 XDTIYURVFSMNIQ-SANMLTNESA-N 443.551 2.386 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 21490405 IJEIBYDSOTXUGW-CQSZACIVSA-N 427.592 2.186 0 40 IEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)Nc1ccc(OC)cc1OC)C2=O 23674421 PRLQZGZPMULKKY-UHFFFAOYSA-N 447.488 2.076 0 40 IEAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1S(=O)(=O)N1CCOCC1 27242250 KZAUDJVWNPXXQX-UHFFFAOYSA-N 445.541 2.406 0 40 IEAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1 29596525 CPZCXZNDCGUBIH-UHFFFAOYSA-N 425.532 2.259 0 40 IEAB CCOc1ccc(N2C(=O)CN(CCc3ccccc3OC)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773789 YQOWFRPIRQJNNU-LEWJYISDSA-N 444.553 2.151 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccncc1)[C@@H]1CC(=O)N(c2ccccc2)C1 31818593 CYRLAGCATAUKCP-FYYLOGMGSA-N 442.519 2.478 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 32907996 SLAQSWYHWBBFTB-UHFFFAOYSA-N 429.336 2.155 0 40 IEAB Cc1csc2nc(COC(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)cc(=O)n12 32910599 KFNSDPAAKNDOSH-KRWDZBQOSA-N 447.538 2.351 0 40 IEAB Cn1cc(-c2nc(C(=O)NCc3ccc(CN4C(=O)NC(C)(C)C4=O)cc3)cs2)cn1 40154596 JEGYFFDSESIHEF-UHFFFAOYSA-N 438.513 2.304 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)c1 40388947 DKZGPSXJDFHMPK-JSGCOSHPSA-N 441.488 2.088 0 40 IEAB COc1ccc(NC(=O)Cn2nc3c(N4C[C@@H](C)C[C@@H](C)C4)nccn3c2=O)c(OC)c1 49400182 YKQONQPXDIZMBL-GASCZTMLSA-N 440.504 2.029 0 40 IEAB CCOC(=O)C1=C(CN2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC 67286441 UNLQHNIOQDIUDR-GOSISDBHSA-N 433.505 2.369 0 40 IEAB CCOc1ccc(F)c(C(=O)O)c1NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 72301056 FFUHMGNZMKHHPB-UHFFFAOYSA-N 425.438 2.288 0 40 IEAB O=C(Nc1cc(N2CCOCC2)ncn1)[C@@H]1CCCN(c2ccc(-c3ccco3)nn2)C1 77100885 OQWFYIKUCOJERA-MRXNPFEDSA-N 435.488 2.218 0 40 IEAB C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)c1cccc(Br)c1 79099996 MAJKOGJHSIJLBB-CYBMUJFWSA-N 447.376 2.408 0 40 IEAB COCc1nc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)no1 95469388 ZOJSUTRCJILUDL-UHFFFAOYSA-N 429.882 2.401 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O 225195505 WTKYVWZCPWTKAZ-SFHVURJKSA-N 431.558 2.233 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1 225378073 OXYAVTXDLZAYMP-QGZVFWFLSA-N 447.557 2.207 0 40 IEAB C[C@@H]1CCCN(CCCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 225491652 HTHNSOVUVPUEBW-QGZVFWFLSA-N 425.570 2.465 0 40 IEAB FC(F)(F)c1cc(Sc2ncccn2)nc(NC(=S)NCCN2CCOCC2)n1 225905770 UAGUKFYCXNANGQ-UHFFFAOYSA-N 445.496 2.055 0 40 IEAB CCc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)no1 257225255 FFLWCPFQVGGATG-UWJYYQICSA-N 427.501 2.396 0 40 IEAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 260903431 OWJTVSYCORPFJK-DOTOQJQBSA-N 436.917 2.449 0 40 IEAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408672743 ZTWQDKDXELNMJO-WYZBVHOTSA-N 440.496 2.427 0 40 IEAB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C 408702640 CCOZDEHLHRNQLF-AWEZNQCLSA-N 448.497 2.346 0 40 IEAB COc1ccc2nnc(CCC(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)n2n1 604404750 JXYHSMYKZZLOLR-RGKFVRLKSA-N 436.560 2.487 0 40 IEAB biogenic CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(Cl)c1Cl 3585104 RIHQEWBQCVXKSA-UHFFFAOYSA-N 430.357 2.432 0 40 IEAB CN(C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NC[C@@H]1CCCO1 6198468 MEDWKEKITUFCQC-KRWDZBQOSA-N 446.573 2.064 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c(OC)c1 8768498 PZSZTHBVCAGHQE-UHFFFAOYSA-N 426.516 2.353 0 40 IEAB CCSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccc(F)c(F)c3)c2n1 8793908 VIFGCZIABHDVRC-UHFFFAOYSA-N 448.499 2.483 0 40 IEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 9365911 DQGFOZGUOAREFU-UHFFFAOYSA-N 445.479 2.402 0 40 IEAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)c(C)c2oc1=O 9449261 ITOIWLWTQXGOFY-OAHLLOKOSA-N 444.509 2.449 0 40 IEAB COc1ccc(NC(=O)[C@H](C)NC(N)=O)cc1S(=O)(=O)Nc1ccccc1Cl 9487214 VFLUNOVQDBIMOA-JTQLQIEISA-N 426.882 2.145 0 40 IEAB Cc1ccc(C)c(CN2N=C(c3ccccc3)Cn3c2nc2c3c(=O)n(C)c(=O)n2C)c1 9707477 CLGAWXITWUYMPL-UHFFFAOYSA-N 428.496 2.475 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@]12C(=O)Nc1ccccc12 9742749 BRZROGOCQWBAMT-VWLOTQADSA-N 443.459 2.179 0 40 IEAB C[C@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)cc1 9787643 FRZDIHZIARXKAX-ZDUSSCGKSA-N 433.461 2.215 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 9862178 RJGYRKZDWQISOE-QGZVFWFLSA-N 441.513 2.121 0 40 IEAB CCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc12 11866970 FTHXNBPWNYRIIN-BXKMTCNYSA-N 442.512 2.004 0 40 IEAB biogenic C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2)C1=O 11904069 OWTFGRQSFOERGM-ZDUSSCGKSA-N 431.495 2.348 0 40 IEAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1 11905008 FZZNNGVGAORFCW-NSHDSACASA-N 444.918 2.462 0 40 IEAB O=C(Nc1cccc2cccnc12)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029922 DKDMKXAVIXGBMB-QGZVFWFLSA-N 430.507 2.448 0 40 IEAB CSc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1 12422835 ADDNQEQDBBXPDK-UHFFFAOYSA-N 447.626 2.328 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 12602668 RMXJWBXZSWAJFS-ROUUACIJSA-N 447.557 2.305 0 40 IEAB CCOC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 13676553 XFHUADGXMWHEPS-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB O=C1Nc2ccccc2/C1=C1/SC(=O)N(CC(=O)N2CCN(c3ccccc3)CC2)C1=O 15229318 ZCNRMIWUHVSKKF-VXPUYCOJSA-N 448.504 2.394 0 40 IEAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCN(S(C)(=O)=O)CC3)c2n1 18323246 FBBYMNBHZAQJKU-UHFFFAOYSA-N 432.329 2.333 0 40 IEAB CC(C)Oc1ccc(CN2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)cc1 19450645 XDVHMNSFQAJDRI-HXUWFJFHSA-N 446.573 2.212 0 40 IEAB C[C@H]1CN(CC(=O)N2CCC(c3nc4ccc(F)cc4cc3C(N)=O)CC2)C[C@@H](C)O1 19497402 GWKWKQHHYRHAJP-GASCZTMLSA-N 428.508 2.288 0 40 IEAB COc1ccc(-n2ncc3c2N(CC(=O)NCc2ccccc2)C(=O)N2CCN=C32)cc1 19558883 AOOHXULCMDLIBS-UHFFFAOYSA-N 430.468 2.200 0 40 IEAB COc1ccc(-c2nnc3n2[C@@H]2CCCC[C@@H]2N(C(=O)CN2CCCC2=O)C3)cc1OC 19561653 DPTZCCCGWKSFDX-DLBZAZTESA-N 439.516 2.411 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)CN3CCOCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 19757950 KGUHCYZEDSWKEX-MRXNPFEDSA-N 443.935 2.339 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 20061915 MFFQPWTXEXQVKJ-UHFFFAOYSA-N 443.953 2.429 0 40 IEAB CCCn1c(SCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)n[nH]c1=O 21237959 STHWYTCKRUUIGN-UHFFFAOYSA-N 431.440 2.189 0 40 IEAB CNC(=O)c1nn(CN2CCN(Cc3cccc(Cl)c3)CC2)c(=O)c2ccccc12 21969430 WJIUOZGGWMYIIL-UHFFFAOYSA-N 425.920 2.185 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1 22917834 FXXQHLOUTKSYGB-UHFFFAOYSA-N 444.601 2.473 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 22980714 KJBVIYGDBIWGBT-AWEZNQCLSA-N 447.513 2.454 0 40 IEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)c1ccc3c(c1)OCCO3)C2=O 23701503 ZPDCKRRGHZRFCA-FATZIPQQSA-N 444.484 2.321 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 24776290 PRMBMFMCBMFXMC-UHFFFAOYSA-N 428.500 2.427 0 40 IEAB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)N1CCC2(CC1)OCCO2 24998133 AWNNKOGPYJQZEC-UHFFFAOYSA-N 437.290 2.191 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 27414199 OTKSXLGWWLYGFG-UHFFFAOYSA-N 439.921 2.121 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)CCn2cnc3cc(OC)c(OC)cc3c2=O)n1 32103927 JNKXQLRNTPPOFR-UHFFFAOYSA-N 446.485 2.005 0 40 IEAB CC1CCN([C@@H](CNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c2cccs2)CC1 40017826 GEIVGLKVUZZAQM-SFHVURJKSA-N 426.542 2.341 0 40 IEAB CC1CCN([C@H](CNC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)c2cccs2)CC1 40017827 GEIVGLKVUZZAQM-GOSISDBHSA-N 426.542 2.341 0 40 IEAB COc1ccccc1CN[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 55408401 VGTUZIOUWUVKDB-WMZOPIPTSA-N 429.947 2.078 0 40 IEAB O=C(NCCNC(=O)c1cc(-c2cccnc2)c(N2CCOCC2)s1)c1cccnc1 72396916 LEWMYTVQRGFDED-UHFFFAOYSA-N 437.525 2.202 0 40 IEAB O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCN(CC(F)(F)F)C1 95393017 XBLHPOKGRVCKIA-KRWDZBQOSA-N 426.483 2.116 0 40 IEAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2cccc(F)c2)CC3)C1=O 96144431 MQSIKVOIIUEKFY-DEOSSOPVSA-N 444.551 2.213 0 40 IEAB CN(C)c1ccccc1CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 97163866 SUMKINGRSRDXLO-UHFFFAOYSA-N 440.319 2.325 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102817925 IBVMBBMYHBTRJM-BUZFHVMYSA-N 432.517 2.306 0 40 IEAB CC[C@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222510765 GSHQHUINVCFITG-MRXNPFEDSA-N 434.917 2.435 0 40 IEAB CCCNS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)cc1 222872169 ZQWVUVHSUIONRQ-HXUWFJFHSA-N 446.525 2.275 0 40 IEAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c(OC)c1OC 223867729 DYIQGVWIMXYJCL-UHFFFAOYSA-N 434.514 2.490 0 40 IEAB CCSc1nnc(NC(=O)CCc2cc(S(=O)(=O)N(C)C)ccc2OC)s1 225521732 JSRFBUGGNNHLKA-UHFFFAOYSA-N 430.577 2.480 0 40 IEAB CN1CCN([C@H]2CC[C@](CNC(=O)C3CCOCC3)(c3ccccc3)CC[C@@H]2O)CC1 257256838 KNBVYRHUWCJAMM-LSQMVHIFSA-N 429.605 2.018 0 40 IEAB CCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3OC)CC2)cc1 409392202 QBBBNWAOCKSFJJ-UHFFFAOYSA-N 431.558 2.275 0 40 IEAB Cc1cc2cc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)ccc2n(C)c1=O 1141394509 AMDRKXZJBNDRHP-RXVVDRJESA-N 437.471 2.129 0 40 IEAB CN(C[C@@H](O)c1ccccc1Br)C(=O)NCc1ccc(-n2cncn2)nc1 1666350018 GZAKZLGURZTWGH-MRXNPFEDSA-N 431.294 2.300 0 40 IEAB O=S(=O)(NCC1(N2CCSCC2)CCOCC1)c1ccc(Br)s1 1888863800 UWPBWBRPYIULEU-UHFFFAOYSA-N 441.438 2.387 0 40 IEAB Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1[C@H]1COc2ccccc2O1 3477876 JBWAKHSZVNCGDH-QGZVFWFLSA-N 437.481 2.405 0 40 IEAB COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)c(Cl)c1 6548753 BSMZCGPOJHGDLL-UHFFFAOYSA-N 436.871 2.389 0 40 IEAB Nc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)s1 8946026 QXEKCAIIIKZJIJ-UHFFFAOYSA-N 433.968 2.289 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2OCc2cn3ccccc3n2)cc1 8965918 AQTNOLFWURDZAN-UHFFFAOYSA-N 436.493 2.491 0 40 IEAB Cc1ccc2c(COC(=O)CCNC3=NS(=O)(=O)c4ccccc43)cc(=O)oc2c1 9551134 SZGLITBDIZFODL-UHFFFAOYSA-N 426.450 2.273 0 40 IEAB CCCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 9882622 GQLUWJNPZFEFHG-GOSISDBHSA-N 442.603 2.291 0 40 IEAB Cc1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)CC2CCCC2)CC1 12229883 FJMDOYPDZKHXAA-UHFFFAOYSA-N 429.546 2.260 0 40 IEAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](C(=O)c3ccccc3)C2)cc1F 12235990 ZBXGEDYWPHQUAD-QZTJIDSGSA-N 448.516 2.479 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)OCc3cccnc3)CC2=O)cc1 12553787 QYEIMYNPVSUOAN-KRWDZBQOSA-N 431.514 2.208 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CC(=O)N(c3ccc4c(c3)OCCO4)C1)CC2 13101973 GCHQSHNIWGNSOY-QGZVFWFLSA-N 438.480 2.413 0 40 IEAB Nc1c(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(=O)[nH]c(=O)n1C1CC1 13121370 HBMKCMKIGLANCS-UHFFFAOYSA-N 444.542 2.007 0 40 IEAB Cc1cc(C)cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 13141698 POSHTGNUSFTFEO-UHFFFAOYSA-N 445.541 2.020 0 40 IEAB O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)N1CCN(c2nccs2)CC1 14350649 DJCUTAYJNNKQDD-UHFFFAOYSA-N 448.492 2.179 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCN(C)c1ccccc1 14597785 SIPZBPDXARINGW-UHFFFAOYSA-N 431.558 2.272 0 40 IEAB CC(C)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]12 15957539 HGABXLYGYUWNSR-XXPWESIGSA-N 433.464 2.386 0 40 IEAB biogenic C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)c1ccc(-n2ccnc2)cc1 16045811 FVAXJSPBIXVWOK-GYCJOSAFSA-N 429.480 2.443 0 40 IEAB Cc1ccc(S(=O)(=O)NC[C@H](NNS(=O)(=O)c2ccccc2)c2ccccc2)cc1 16758543 VJJXRIHHNQVJFJ-NRFANRHFSA-N 445.566 2.498 0 40 IEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1cccc2nsnc12 19077135 PNODUTKQXLVWKQ-UHFFFAOYSA-N 427.486 2.362 0 40 IEAB CCN(CC)C(=O)CN1CCC(c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)CC1 19694159 XNFDARMIEFJJKH-UHFFFAOYSA-N 438.576 2.356 0 40 IEAB COc1ccc(-c2nc([C@H]3CCCN(C(=O)Cn4nc(C)cc4C)C3)[nH]c2C(N)=O)cc1 19698896 KOORRQHOUANDAV-KRWDZBQOSA-N 436.516 2.404 0 40 IEAB CNc1nc(C2CCN(C(=O)Cc3cccc(OC)c3)CC2)nc2c1CN(C(C)=O)CC2 19711426 OTIRTHPOFSYKEM-UHFFFAOYSA-N 437.544 2.380 0 40 IEAB CCc1nc(COC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cs1 22742095 HQCTVNIKUURXAT-UHFFFAOYSA-N 426.516 2.092 0 40 IEAB CN(c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)c1)S(C)(=O)=O 30848710 LVACNVYTUMRKNS-UHFFFAOYSA-N 431.923 2.360 0 40 IEAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)ccc21 30848994 QCPIJEARXBSXJM-UHFFFAOYSA-N 428.514 2.055 0 40 IEAB COc1cc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc(OC)c1Br 32752789 GMEPADUREKLNHP-UHFFFAOYSA-N 426.311 2.440 0 40 IEAB CCOC(=O)C1=C(CN(C)C[C@@H]2COc3ccccc3O2)NC(=O)N[C@@H]1c1ccco1 32753408 KZONDHWEJSZFMJ-JLTOFOAXSA-N 427.457 2.223 0 40 IEAB CCc1cccc(N2C[C@H](C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)CC2=O)c1 32755619 JQHQMIYKKSQOJW-LJQANCHMSA-N 441.553 2.135 0 40 IEAB COc1ccc(NC(=O)NC[C@@H]([C@H]2CCOC2)N2CCOCC2)cc1N1CCCCC1=O 48302352 JYKPKCZEYJCOHV-PXNSSMCTSA-N 446.548 2.071 0 40 IEAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)Nc1ccc2c(c1)OCO2 49404373 WHRMPPLACYOPQC-UHFFFAOYSA-N 438.469 2.014 0 40 IEAB COCc1nc2ncc(-c3ccnc(N4CCN(Cc5ccccc5)CC4)n3)c(C)n2n1 54202042 XVKGFRHNESJWSM-UHFFFAOYSA-N 430.516 2.358 0 40 IEAB COC(=O)c1cccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)c1 67336802 RFYHERYFEIPPEM-UHFFFAOYSA-N 426.404 2.168 0 40 IEAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(S(=O)(=O)c3ccccc3OC)C[C@@H]12 72395834 YWVBWBUOFZUOFA-KNQAVFIVSA-N 428.510 2.433 0 40 IEAB Cc1ccccc1S(=O)(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC(C)C)Cn1ccnc12 96091246 BATFEXDBKKSUKQ-GOSISDBHSA-N 446.573 2.043 0 40 IEAB COC(=O)/C=C1/C=CC=C[C@]12[C@H](C(=O)OC)c1ccccc1[C@H](C(=O)OC)[C@@H]2C(=O)OC 104196171 OTPASNOGWCELDD-UPJBUAKASA-N 440.448 2.214 0 40 IEAB CCCSc1nnc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)s1 223323181 VDZRMGKCPRUXAW-UHFFFAOYSA-N 433.556 2.431 0 40 IEAB COc1ccc(OC)c(N(CC(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)c1 224063938 ZCGSQTKZLQCAKT-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB Cc1ccccc1OCCNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 224112951 UIVPFCMNAOFUIS-MRXNPFEDSA-N 434.514 2.116 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)ccc21 225106613 JDKLJVBMOAHPJI-INIZCTEOSA-N 433.511 2.249 0 40 IEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(N4CCCC4)ncn3)cc2)n1 225536437 NNYWAFGNHGXVHF-UHFFFAOYSA-N 439.501 2.228 0 40 IEAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(C(=O)Cn3cnnn3)C2)n1 257217732 DAJJPUNRFBXDDG-OAHLLOKOSA-N 426.912 2.256 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 257276706 NUVJHJJUQKBPBQ-KXBFYZLASA-N 439.491 2.008 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)c2)no1 408667812 SZMICTJZORFXNM-JLZZUVOBSA-N 425.441 2.704 0 40 IEAB COCC(=O)N1CCN(CC2(O)CCCCCC2)C[C@@](O)(COc2ccc(C)c(C)c2)C1 585283099 PSIGUOJXPVXYEO-VWLOTQADSA-N 448.604 2.289 0 40 IEAB O=C(CCNC(=O)N1CCc2ccccc2C1)Nc1ccc2nc(N3CCOCC3)[nH]c2c1 600957554 WJAFWWRHTDBTBK-UHFFFAOYSA-N 448.527 2.496 0 40 IEAB O=C([C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12)N1CCC(N2CCOCC2)CC1 1772595589 GZORRRDAWDSBOB-GPXNEJASSA-N 425.573 2.401 0 40 IEAB CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)N3CCOCC3)C[C@H]2NC(=O)Nc2ccccc2)[nH]1 2332241781 GZKRQPVFOKHDQL-ONCXSQPRSA-N 441.532 2.047 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nnc3n2CCCCC3)C1=O 8993830 OEISKPPXUXKEKB-OAQYLSRUSA-N 442.545 2.071 0 40 IEAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)NCCc1ccccc1 9261109 LDSMRCWTPRJKCC-UHFFFAOYSA-N 427.505 2.335 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 9365976 QAOGIOPKOTTXPY-KRWDZBQOSA-N 449.960 2.199 0 40 IEAB Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)cnc32)cc1C 9416570 FTJQVDVZKUOVMI-UHFFFAOYSA-N 431.452 2.244 0 40 IEAB Cc1ccnc2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)nn12 9493413 WRUPLUJZSQQXJH-ZIAGYGMSSA-N 428.518 2.352 0 40 IEAB COc1cccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@H]32)c1 9674934 HWVXWRSNFDDDHB-MSOLQXFVSA-N 443.847 2.289 0 40 IEAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1ccc(F)c(F)c1)CC2 10705406 IOSRHRDJFYOGCO-UHFFFAOYSA-N 440.468 2.100 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 12425312 VFPATMIDXSKOIG-DYVFJYSZSA-N 434.514 2.223 0 40 IEAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCN(c2ccccn2)CC1 12688219 HPHLOXJMUIVOTA-UHFFFAOYSA-N 425.470 2.301 0 40 IEAB Cc1nn(Cc2nc3ccccc3c(=O)n2Cc2ccco2)c(C)c1S(=O)(=O)N(C)C 14253414 WRBNSIGNZZFGHO-UHFFFAOYSA-N 441.513 2.150 0 40 IEAB CN1CCN(c2ccc(NC(=O)Cc3csc(NC(=O)c4ccco4)n3)cn2)CC1 14520754 VQHQYEAUKIPMHC-UHFFFAOYSA-N 426.502 2.316 0 40 IEAB COc1ccc(Cn2c(=O)c3c(nc(-n4nc(C)cc4C)n3CC(C)C)n(C)c2=O)cc1 17012086 FYRJVOHVNXQDKL-UHFFFAOYSA-N 436.516 2.412 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@H]3C(=O)O)CC2)c1 17099023 YSSHBUWXFBVHDW-OTGCGEFBSA-N 434.558 2.273 0 40 IEAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccc(C)c3)[nH]c2=O)C1 19520463 HHMMWMGESKYUEI-IBGZPJMESA-N 444.557 2.154 0 40 IEAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1n[nH]c(=O)c2ccccc12 19520555 XNOZZXRXQPAHOG-AWEZNQCLSA-N 435.509 2.346 0 40 IEAB COc1ccccc1CN1CCc2c(nc([C@H]3CCN(C(=O)c4ccccn4)C3)[nH]c2=O)C1 19570685 ODTBTQAYEFKFMQ-SFHVURJKSA-N 445.523 2.362 0 40 IEAB CNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)CCn2cnnn2)C1 19591102 UXGNJFOPVFIPCE-JOCHJYFZSA-N 438.557 2.389 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)C3CCC3)C1)C2=O 19699678 XKDKSOZTPZZGTM-LJQANCHMSA-N 438.528 2.004 0 40 IEAB CCN(CC)S(=O)(=O)N1CCC(c2ccc(C(=O)NCc3ccccc3)c(N)n2)CC1 19766793 QCSHQKTZFQBWIU-UHFFFAOYSA-N 445.589 2.360 0 40 IEAB CCc1ccc(N2C(=O)CN(CCc3ccc(OC)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773687 FALKUWOOTAKGFY-FCHUYYIVSA-N 428.554 2.315 0 40 IEAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CN1CCC[C@H](C(N)=O)C1)CC2 40012040 GTITWPWGRJSADP-YADARESESA-N 437.540 2.375 0 40 IEAB Cc1c(C(=O)NC2CCCCCC2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 69564958 YTAFKANVPLFGDN-UHFFFAOYSA-N 431.562 2.346 0 40 IEAB Cc1cccc(CCNC(=O)[C@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 72326351 NWJIONPXOCTSLV-BXKMTCNYSA-N 435.528 2.002 0 40 IEAB CC1(C)Cc2cccc(OCC(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)c2O1 77101244 SWIBJVCANJZSMV-UHFFFAOYSA-N 434.496 2.411 0 40 IEAB CCn1c(CCC(=O)N2CCC[C@H]2c2ncc[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 95458558 IEJPIYZPBIBIPC-SFHVURJKSA-N 444.561 2.326 0 40 IEAB Cn1cc(N2CCN(Cc3ccccc3)C3(CCN(C(=O)c4cccn4C)CC3)C2=O)cn1 96230350 PBWQRDBRAQOSFO-UHFFFAOYSA-N 446.555 2.282 0 40 IEAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)C(=O)C2 102121146 FJQSIPNAKBPBIF-HTAPYJJXSA-N 434.558 2.258 0 40 IEAB C[C@H]1CN(C(=O)Cn2cc(NC(=O)N[C@H](CO)c3ccc(Cl)cc3)cn2)C[C@@H](C)O1 552852522 FKOFYESBIZCYAS-QWQRMKEZSA-N 435.912 2.027 0 40 IEAB NCCCC[C@@H](N)C(=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1 643556939 SLWUFRIGCRUUIT-OAQYLSRUSA-N 444.620 2.363 0 40 IEAB Cc1csc(CC(=O)N2CCN(C(=O)c3ccc(CN4CCCC4=O)cc3)CC2)n1 8855713 YTZQBVMWAIOJAJ-UHFFFAOYSA-N 426.542 2.101 0 40 IEAB O=C(OCC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1O 9144730 VWMNBHLEVXUNTP-INIZCTEOSA-N 437.901 2.418 0 40 IEAB CCn1c(SCC(=O)c2ccc[nH]2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9244508 VLJBTUWVCCVMJE-UHFFFAOYSA-N 434.543 2.380 0 40 IEAB COc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1S(=O)(=O)c1cc(C)ccc1C 9807410 IEWQIYFCAUFRIC-QGZVFWFLSA-N 445.541 2.220 0 40 IEAB COc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1 12685545 RNDJEQXKRRXOIQ-UHFFFAOYSA-N 446.525 2.222 0 40 IEAB O=C(CSc1nnnn1C1CC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 12687199 FBJHYJXZXYGNPQ-UHFFFAOYSA-N 436.563 2.304 0 40 IEAB O=C(NCCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccco1 12794248 LWVTUYRHBOOWDJ-IBGZPJMESA-N 431.448 2.033 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=S)NC[C@H]3CCCO3)CC2)c1C 13638345 NOFAPXHJOAWUAE-GOSISDBHSA-N 425.620 2.280 0 40 IEAB COC(=O)C1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)CC1 13673751 AORLAQZEYMNWFY-HXUWFJFHSA-N 444.509 2.055 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(C(=O)CN4CCCC[C@H]4C)CC3)c(=O)c2c1C 19561362 KXFXPRVVPOLMHJ-OAHLLOKOSA-N 432.590 2.303 0 40 IEAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@H]3c1ccncc1 20308396 OTTXWDGPBMQPOA-NRFANRHFSA-N 435.480 2.464 0 40 IEAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@H]2[C@@H]1C 20466817 YXDGJKNDMTVMPB-JZCCEULGSA-N 431.577 2.288 0 40 IEAB biogenic,in-vitro COc1cc(C(=O)N2CCOCC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253628 VSLWTPUJKZPJPH-UHFFFAOYSA-N 434.514 2.142 0 40 IEAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 27538870 FFOCXXRQYFKYBM-VLIAUNLRSA-N 431.439 2.276 0 40 IEAB Cc1nc2c(C(=O)N3CCOCC3)nc(-c3cccs3)cc2n1[C@@H]1CCS(=O)(=O)C1 32616080 FTZUDRFKCHBTJX-CQSZACIVSA-N 446.554 2.300 0 40 IEAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)N1C(=O)c2ccccc2C1=O 33532377 YYKNCTHBFAJYIE-CQSZACIVSA-N 427.482 2.094 0 40 IEAB COc1ccc(S(=O)(=O)NCc2ccccc2-n2ccnc2)cc1C(=O)NC(C)C 44884107 NFWJWPIRRYHQTQ-UHFFFAOYSA-N 428.514 2.498 0 40 IEAB CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NCc1ccc(C)cc1 64817628 RCJZKPZUEFTWFQ-UHFFFAOYSA-N 445.523 2.361 0 40 IEAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338831 WHYSAYYDRMZAOK-XOBRGWDASA-N 431.562 2.105 0 40 IEAB CCOC(=O)C1=C(COC(=O)CSCC(=O)Nc2ccc(C)cc2C)NC(=O)N[C@H]1C 79199797 YAIASPFRUNTHLK-AWEZNQCLSA-N 449.529 2.037 0 40 IEAB COc1ccc(C2(CNC(=O)CNc3nc(Cl)nc4[nH]cnc34)CCOCC2)cc1 79495241 PDHZZVMBBBJWJI-UHFFFAOYSA-N 430.896 2.291 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN4C(=O)OC[C@H]4C3)cc2)cc1C 84180900 IAXHOSOGJPDVJV-GOSISDBHSA-N 429.498 2.381 0 40 IEAB O=S1(=O)C[C@H](O)[C@@H](N(Cc2ccco2)Cc2nn(-c3ccccc3)c3c2CCC3)C1 89857548 DQNPUNHDBTYEPU-VXKWHMMOSA-N 427.526 2.114 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(SC)c4)[C@H]3C2=O)cc1 101166129 CFJXHEAUNJCDTB-ZWKOTPCHSA-N 425.470 2.349 0 40 IEAB COc1cccc(N([C@H](C)C(=O)NCc2nc(-c3ccccc3)no2)S(C)(=O)=O)c1 220186022 XYKRJYRDJMHQEN-CQSZACIVSA-N 430.486 2.216 0 40 IEAB C[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223849199 WGWTUXWSJCLOND-ZIAGYGMSSA-N 442.534 2.261 0 40 IEAB O=C(c1cc2n(n1)CCCC2)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 225604088 IGZDNZSXCTXKEN-UHFFFAOYSA-N 442.463 2.385 0 40 IEAB C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)[C@H]4CCCO4)CC3)n2)C1 253603819 MYZWTFPSFYSSEY-DOTOQJQBSA-N 436.578 2.001 0 40 IEAB Cc1nc(-c2ccc(OCC(=O)N3CC[C@H](O)[C@@H](N4CCOCC4)CC3)cc2)cs1 257212472 CDOFXXHTANRGSW-SFTDATJTSA-N 431.558 2.181 0 40 IEAB Cc1cc(S(=O)(=O)N2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)ccc1F 257256199 KKLPJTDZDUYTIQ-KRWDZBQOSA-N 430.465 2.220 0 40 IEAB Cn1cccc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257293686 QQSAAZIIQPADFB-RSEQLOHWSA-N 425.573 2.453 0 40 IEAB CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 408601739 GWZYXQROVMNSEB-OAHLLOKOSA-N 434.514 2.433 0 40 IEAB O=C(NC1CCN(c2ccccn2)CC1)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 514446037 IFPABFSWERMEFD-KRWDZBQOSA-N 434.587 2.472 0 40 IEAB CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)[C@]1(O)CCN(Cc2ccccc2)C1 531049172 KLJGGQPKHJQRLV-QHCPKHFHSA-N 445.585 2.017 0 40 IEAB O=C1C[C@]2(CCN(c3nnc(-c4nnc(O)c5ccccc45)n3Cc3ccccc3)C2)CN1 555156718 ALQYZVRFEXLPHE-XMMPIXPASA-N 441.495 2.359 0 40 IEAB COc1cc(CN2CCC[C@]2(C)C(=O)NCCO)ccc1OCCN1CCC(C)CC1 585273454 OKWRUBIBRIKSJE-XMMPIXPASA-N 433.593 2.269 0 40 IEAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)c3ccc(N4CCCC4)nn3)C2)n1 1888913595 SKRBOQVOADBBFM-UHFFFAOYSA-N 432.484 2.006 0 40 IEAB O=C1N[C@H]2c3c(I)sc(I)c3C(=O)[C@H]2O1 5847544 UWDMOILRXVLKCY-UCORVYFPSA-N 446.991 2.303 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC[C@H]3CCCC[C@@H]3C2)C1=O 7023846 BXHQHIHLEYCRGC-CKNGIIGNSA-N 427.501 2.264 0 40 IEAB COc1ccc(CCNC(=O)C(=O)Nc2cc(C)nn2-c2nc(O)cc(C(C)C)n2)cc1 9038534 SGADJTSUEPXWGJ-UHFFFAOYSA-N 438.488 2.106 0 40 IEAB O=C(O)c1ccc(N[C@H]2SC(=O)N(CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 9422093 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CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12790709 YUPVHGHIPQIDDN-AWEZNQCLSA-N 428.489 2.293 0 40 IEAB COc1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 15924940 BWFYKVZLNDKZJN-IRXDYDNUSA-N 448.541 2.302 0 40 IEAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 16180011 KWGQKHACDVJUOJ-KRWDZBQOSA-N 430.917 2.057 0 40 IEAB O=C(N[C@@H]1CCCOC1)c1cc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)no1 19331059 SZPRJGIKSXCYLF-MRXNPFEDSA-N 437.493 2.291 0 40 IEAB CCc1onc(C)c1C(=O)N1C[C@H](C(=O)N(C)C)[C@@H](c2ccnc(N3CCCCC3)n2)C1 19521141 JPGAAAJNLFFJEU-IRXDYDNUSA-N 440.548 2.270 0 40 IEAB Cc1oc2ncn3nc([C@H](C)NC(=O)CS(=O)(=O)c4ccc(F)cc4)nc3c2c1C 19559531 PBNPLEJHXQLREB-NSHDSACASA-N 431.449 2.278 0 40 IEAB CS(=O)(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CCC3CCCC3)[nH]c2=O)C1 19572874 LRWGSDBKXDRVLC-GOSISDBHSA-N 436.578 2.112 0 40 IEAB CCOC(=O)c1ccc(N2C(=O)C=C(N3CCC(CCN4CCOCC4)CC3)C2=O)cc1 19890150 GZFWDQWQZOLPKY-UHFFFAOYSA-N 441.528 2.055 0 40 IEAB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H](C(=O)N(C)C)Oc2ccccc21 21676651 GOJWEAMXSNFECF-PMACEKPBSA-N 427.476 2.463 0 40 IEAB Cc1nn(Cc2ccc(C(=O)N[C@@H](C)CN3CCOCC3)o2)c(C)c1Br 22469316 NKLSSTZOBZLYDU-LBPRGKRZSA-N 425.327 2.354 0 40 IEAB COCCOc1cc(NS(=O)(=O)c2ccsc2C(=O)OC)c(C(=O)O)cc1OC 22835963 JKHMXMKSHXWCBP-UHFFFAOYSA-N 445.471 2.068 0 40 IEAB Cc1cc(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)n1CCc1cccs1 22914019 OBLSUSAQAGQWOG-UHFFFAOYSA-N 428.602 2.488 0 40 IEAB CCOC(=O)C1=C(CN(C)CC(=O)Nc2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(C)o1 31246046 VLJTXUDBUMVKIJ-FQEVSTJZSA-N 444.463 2.469 0 40 IEAB Cc1cc(CSc2ncccc2C(=O)N2CCN(CC(=O)N3CCCC3)CC2)no1 35307915 SIHBCYJFAMSOOT-UHFFFAOYSA-N 429.546 2.051 0 40 IEAB CCn1nc(C)c2c1c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1OC 35373982 WQTKVVQICNJSLK-UHFFFAOYSA-N 447.495 2.384 0 40 IEAB Cc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 35877351 AKMSJYBOUWVCFU-UHFFFAOYSA-N 432.571 2.058 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 72403134 ZSUHSWTYNGXHPG-GOSISDBHSA-N 436.965 2.475 0 40 IEAB COCCN1CC2(CCN(C(=O)c3ccco3)CC2)COc2ccccc2S1(=O)=O 96037180 VBRNJCFILHJLSO-UHFFFAOYSA-N 434.514 2.232 0 40 IEAB COc1cc(OC)c([C@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)cc1OC 96115054 PQAACAAUCDHDKV-HNNXBMFYSA-N 433.457 2.060 0 40 IEAB biogenic Cc1cc(OC2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)cc(=O)o1 206977199 HLLRRFCCSSZYKT-UHFFFAOYSA-N 444.509 2.016 0 40 IEAB C[C@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220463213 KDORQHBIYXFAGJ-GFCCVEGCSA-N 436.440 2.486 0 40 IEAB CC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2ccccc2)s1 223009024 ZIHMSUNITSEZOF-UHFFFAOYSA-N 445.526 2.270 0 40 IEAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c(Cl)c1 224571282 ZJZDYPBFLSZCOA-UHFFFAOYSA-N 437.949 2.474 0 40 IEAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)CN3CCCCS3(=O)=O)C2)o1 257257368 KPHTVSOQVVXZHL-GOSISDBHSA-N 447.557 2.406 0 40 IEAB COc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)c(OC)c1 408666795 SNWHULUQAOGLLN-DOTOQJQBSA-N 426.469 2.477 0 40 IEAB O=C(NCCn1cccn1)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595490 AYSARQFFWOFECF-URVUXULASA-N 428.508 2.247 0 40 IEAB O=S(=O)(NCC1(N2CCSCC2)CCOCC1)c1ccccc1Br 1888869496 HQBZJTFOYNHZAA-UHFFFAOYSA-N 435.409 2.325 0 40 IEAB CC(C)(C)Oc1ccc(C[C@@H](NC(=O)CNC(=O)OCc2ccccc2)C(N)=O)cc1 4906449 VLPVQQNOTNODNR-LJQANCHMSA-N 427.501 2.303 0 40 IEAB Cc1cn2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 8973397 ZEDNJPSCTWAWIZ-MRXNPFEDSA-N 427.892 2.339 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 9672421 XQPJBFIGAUERAK-UHFFFAOYSA-N 446.525 2.177 0 40 IEAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 9913905 FVNRXMVEVUZIEI-LBPRGKRZSA-N 444.513 2.253 0 40 IEAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccn1 9983641 FCVKXPMZUOMLHV-HNNXBMFYSA-N 431.514 2.131 0 40 IEAB CSCC[C@H](C(=O)N1CCN(c2nccs2)CC1)N1C(=O)c2ccccc2C1=O 10269931 BQUIOSOHUVHZOB-MRXNPFEDSA-N 430.555 2.210 0 40 IEAB C[C@H]1CCc2c(sc3ncnc(S[C@H](C)C(=O)c4c(N)n(C)c(=O)n(C)c4=O)c23)C1 13108546 FUSMZHSAXNALSB-VHSXEESVSA-N 445.570 2.159 0 40 IEAB O=C(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 14125042 VZLTXNFPVQFYIK-UHFFFAOYSA-N 428.919 2.319 0 40 IEAB Cc1ccc(-c2csc3ncn(CC(=O)N(C)[C@H]4CCS(=O)(=O)C4)c(=O)c23)cc1 14249342 MMINCQAYTLJKJT-HNNXBMFYSA-N 431.539 2.079 0 40 IEAB C[C@@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc2NC1=O 15925489 VVDIKXYLQWPUGQ-AWEZNQCLSA-N 431.539 2.266 0 40 IEAB O=C1CCSc2ccc(C(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2N1 17846353 AMLHNUOWYKZTJL-UHFFFAOYSA-N 445.566 2.409 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3CCC[C@H](C)[C@@H]3C)CC1)O2 19496670 SRDVQFBPUYEVML-WOGXIUBCSA-N 443.544 2.216 0 40 IEAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)c2cnccn2)CCO1 19580840 ZIFJLQJHLUPNNW-XMMPIXPASA-N 431.496 2.081 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)Cc1ccc(OC)cc1)CC2 19707184 GOCXBZLASCJBOW-UHFFFAOYSA-N 437.544 2.380 0 40 IEAB C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1nnc(-c2ccccc2)o1 32860325 IMZCCQWLCHMARQ-CYBMUJFWSA-N 432.458 2.004 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(OC)cc1)N1CCC[C@H]21 33730901 PFBOSWJHAKQKSQ-NCYKPQTJSA-N 448.475 2.317 0 40 IEAB biogenic C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)C2=O 40040061 GGMCFKJPGQDTEQ-NPMXOYFQSA-N 427.501 2.314 0 40 IEAB COc1ccc(OC)c([C@@H](c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)c1 95232860 JRZNPKKCBNAVPD-NRFANRHFSA-N 436.516 2.025 0 40 IEAB Cn1cnnc1S(=O)(=O)C1CCN(C(=O)CCc2ccc(C(F)(F)F)cc2)CC1 96099646 VKMAJZLIFWXJCO-UHFFFAOYSA-N 430.452 2.231 0 40 IEAB COc1cccc(CCN2C[C@H]3CCN(C(=O)c4cccnc4)CC[C@H]3S2(=O)=O)c1 96145494 RQAFQYCVTGBGRT-TZIWHRDSSA-N 429.542 2.199 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)NCc4ccc(C)cc4)[C@@H]3C2=O)cc1Cl 101388659 OVWBGISCGRDQHF-OALUTQOASA-N 441.875 2.267 0 40 IEAB CCOC(=O)C1=C(O)C[C@@]2(O)[C@@H](C1)C[C@@]1(OC)OCC[C@@H]3C(C)=CC[C@H]2[C@]31C(=O)OC 103883890 LAOGNELAYWGEFM-WBZRAIITSA-N 436.501 2.411 0 40 IEAB COc1ccc(CNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 113965216 KCCPRQAJVAOWSX-UHFFFAOYSA-N 434.514 2.329 0 40 IEAB COc1ccc(CNC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c(OC)c1OC 220312153 JPFRICZOTMRPCQ-CYBMUJFWSA-N 440.493 2.322 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)CC1 220729608 FPJTWEJLYBDRLA-KRWDZBQOSA-N 445.969 2.494 0 40 IEAB Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCN(S(C)(=O)=O)c4ccccc4O3)n2)cc1 222749813 ITACSJOEAMDRLU-SFHVURJKSA-N 442.497 2.279 0 40 IEAB COc1ccc(CCN(CC(=O)O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 225317429 ZOFZQOAHCCTPSG-UHFFFAOYSA-N 433.457 2.499 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1cccc(C)c1 225738614 LMEIDRBDSBKGPC-UHFFFAOYSA-N 432.542 2.274 0 40 IEAB CC(C)(CN1CCOCC1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1 248271363 ZOKCQZXVSRBLOW-PXBRLVMASA-N 427.545 2.168 0 40 IEAB CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@H](O)Cn1ccc2ccccc21 257304005 SJRLFUOQQHALIH-QFIPXVFZSA-N 437.540 2.372 0 40 IEAB CCCN1C(=O)/C(=C/c2cc(OC)c(OCC(=O)OC)cc2Br)NC1=S 409084235 XIMFBKKMOYZBHP-SDQBBNPISA-N 443.319 2.477 0 40 IEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCCCC(=O)N=c1cc[nH]cc1 524729042 AOAKRDANRPWBMJ-VNZMSGEBSA-N 436.512 2.229 0 40 IEAB biogenic CN1c2ccc(F)cc2N(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)S1(=O)=O 575613599 UUCKZWCQAXKWSX-UHFFFAOYSA-N 439.534 2.184 0 40 IEAB COCC(=O)N1CCC(c2nc(=O)c3nnn(Cc4ccc(C(C)(C)C)cc4)c3[nH]2)CC1 1324706 VVNVFHAWRUICHC-UHFFFAOYSA-N 438.532 2.213 0 40 IEAB CCS(=O)(=O)Nc1cc2c(C(=O)OC(C)C)c(C)n(S(=O)(=O)CC)c2cc1OC 6142920 RSXUBRPILVRMTI-UHFFFAOYSA-N 446.547 2.483 0 40 IEAB CC(C)c1ccc(NC(=O)COC(=O)[C@H](CCC(N)=O)NC(=O)c2ccc(F)cc2)cc1 8696097 QCJDCANTTOGKPW-IBGZPJMESA-N 443.475 2.495 0 40 IEAB O=C(c1ccc(N2CCCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 8767707 MQGLUKJPLUJAJC-UHFFFAOYSA-N 445.516 2.489 0 40 IEAB CN(C(=O)CN1C(=O)S/C(=C\c2cccc(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 9253251 AGQWVDMCQVCPOC-IAOKNECISA-N 428.919 2.022 0 40 IEAB COc1ccc(CC(=O)Nc2cccc(C(C)=O)c2)cc1S(=O)(=O)N1CCOCC1 9284943 NXTLJOIHMVHRJV-UHFFFAOYSA-N 432.498 2.100 0 40 IEAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 9787696 VUCWXKAETSTPPV-UXLLHSPISA-N 435.546 2.132 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)NCc3ccccc3)CC2)cc1 9961364 GUFKJVNTNRSART-UHFFFAOYSA-N 430.530 2.298 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCC(=O)NCCCN(C)Cc2ccccc2)cc1 9981436 ZJEJZAFXWNWRAB-UHFFFAOYSA-N 433.574 2.392 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)[C@H](C)c4nn(C)c(=O)c5ccccc45)C3)cc2n1 12134504 ZMMCWBWXOTXQRY-HZPDHXFCSA-N 446.511 2.500 0 40 IEAB CCOC(=O)[C@]1(O)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc(OC)cc2)NC(=S)N1C 12893026 ZWLBDSMSFMWCMC-JBYIUTFZSA-N 428.510 2.307 0 40 IEAB COc1ccc(OCCN2CCN(C(=O)C3CCN(C(=O)c4ccco4)CC3)CC2)cc1 14119460 FNLWFUSRRGVAAK-UHFFFAOYSA-N 441.528 2.364 0 40 IEAB CC(=O)Nc1cc2ccccc2nc1C1CCN(C(=O)CN2CCC(C(N)=O)CC2)CC1 19022237 ROSLYPBYEHSHJQ-UHFFFAOYSA-N 437.544 2.097 0 40 IEAB COc1ccccc1CN1CCN(S(=O)(=O)c2cnc(-c3ccccn3)nc2C)CC1 19552861 IJLLEUIAGFDAIW-UHFFFAOYSA-N 439.541 2.362 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)NC3CCCCC3)CC1)O2 19562144 IKIBZBSPODLSNS-QHCPKHFHSA-N 429.517 2.018 0 40 IEAB COc1ccc(C(=O)O[C@@H](C)CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 19638419 GWFAJUZWFACUSA-INIZCTEOSA-N 443.525 2.007 0 40 IEAB CNc1nc([C@H]2CCCN(C(=O)Cc3ccc(OC)cc3)C2)nc2c1CN(C(C)=O)CC2 19753517 YJMYDPKNTFBTHC-SFHVURJKSA-N 437.544 2.380 0 40 IEAB Cc1cccc(CC(=O)N2CCO[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)c1 19759535 ATCGJMDYSOMATF-QHCPKHFHSA-N 433.508 2.408 0 40 IEAB Fc1ccc([C@H]2N=C3NCN(CCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 20556182 CLVPMOALVMJIGF-NRFANRHFSA-N 435.507 2.051 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20565874 WDDYSDDYCOLBBE-FLFXDLLNSA-N 437.471 2.293 0 40 IEAB CCCc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(C(=O)OCC)CC3)C2=O)cc1 24936848 XYLHNYSQLKJYOS-HSZRJFAPSA-N 429.517 2.208 0 40 IEAB CCOC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(OC(F)F)cc1 24985545 KBPJDXOJXDSGOS-XJKSGUPXSA-N 444.456 2.379 0 40 IEAB O=C(NC1=NCCS1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 32909079 KEWSYGKKILTSNV-UHFFFAOYSA-N 437.465 2.205 0 40 IEAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32913852 USOFYTLMVKAZQK-NHCUHLMSSA-N 427.570 2.478 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCC3(CC2)N=C(c2ccc(F)cc2)C(=O)N3)cc1 35445351 IOKVRTGKWLAVMI-UHFFFAOYSA-N 429.473 2.128 0 40 IEAB CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)/C=C/c3ccc4c(c3)OCO4)o2)cc1 35590028 QCJBPPPCEMBCOZ-ONNFQVAWSA-N 442.453 2.368 0 40 IEAB O=C1CN(C(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)c2ccncc2N1 72301401 AFEZEYBWFUFROH-VMPITWQZSA-N 438.465 2.152 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCCC[C@@H]4C)nc(=O)c32)c(OC)c1 139106634 WHNKOTOSKMIKOE-GXTWGEPZSA-N 441.488 2.230 0 40 IEAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 220237962 DRZUKCVZXCNBQK-CYBMUJFWSA-N 436.486 2.284 0 40 IEAB C[C@H]1CCCN(CCCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 260895435 IJYFLDPQZGPZKM-ROUUACIJSA-N 425.570 2.465 0 40 IEAB C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)[C@H]1Cc2ccccc2O1 585098190 RNBINVBJSAWKBS-HRAATJIYSA-N 431.496 2.044 0 40 IEAB Cc1noc(C)c1C(=O)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643557196 TZYUCQVWCCTZRW-HSZRJFAPSA-N 427.501 2.424 0 40 IEAB Cc1noc(C)c1-c1ccc2c(c1)NC(=O)CN1CCN(C(=O)NC(C)C)C[C@@H]1CO2 1772594458 BTFNPCZICVYAMG-QGZVFWFLSA-N 427.505 2.394 0 40 IEAB COc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2ccc(OC)cc2OC)c1 932263 OWLDAPHUUZKUBQ-UHFFFAOYSA-N 431.474 2.428 0 40 IEAB COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCO)CC(=O)N32)cc1OC 2156182 YSGQAXUNAKILFL-CYFREDJKSA-N 449.507 2.252 0 40 IEAB biogenic CCCCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nc2c1c(=O)n(C)c(=O)n2C 6162137 DKLPTHXRJLYFGZ-UHFFFAOYSA-N 443.529 2.167 0 40 IEAB COc1cccc(NC(=O)CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1 9183827 BDEDDZJZDIQNBS-UHFFFAOYSA-N 445.541 2.241 0 40 IEAB Cc1ccnn1-c1ccc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 9216910 QJUDPVKYBCWARP-QFIPXVFZSA-N 432.480 2.305 0 40 IEAB NS(=O)(=O)c1cc(Cl)c(NC(=O)COC(=O)c2ccc3c(c2)OCO3)c(Cl)c1 9223332 JQYDKVHTUOINQT-UHFFFAOYSA-N 447.252 2.165 0 40 IEAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc(Br)ccc1OC)n2CCOC 9520444 TUFBCBSFHJATJQ-UHFFFAOYSA-N 437.294 2.381 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 9524564 CQBRJPBFBLPCGA-MAUKXSAKSA-N 445.522 2.026 0 40 IEAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9862869 GPTSPGVANUSCBE-UHFFFAOYSA-N 445.516 2.489 0 40 IEAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9960441 QBGXAAXAFFQVNG-NSHDSACASA-N 435.506 2.388 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 9986982 VTMBIDXVSSBWSS-UHFFFAOYSA-N 438.527 2.045 0 40 IEAB CCCc1nc(SCC(=O)Nc2cccc(C)c2C)c2c(=O)n(C)c(=O)n(C)c2n1 11758079 YJEXTZWDEGUNPP-UHFFFAOYSA-N 427.530 2.327 0 40 IEAB CCn1cc([C@@H]2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)N(C)S(=O)(=O)N2)c(C)n1 12130322 LVWYOPZLHJYDGN-JKSUJKDBSA-N 445.467 2.449 0 40 IEAB COC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2cc(C)ccc2C)S1(=O)=O 12415339 MNUTTYBCFXDLNF-UHFFFAOYSA-N 445.541 2.481 0 40 IEAB CCCn1nc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)c2ccccc2c1=O 12614855 DYFZMFZSYXOFHR-UHFFFAOYSA-N 444.513 2.318 0 40 IEAB O=C(CSc1nnc(C2CC2)n1C1CC1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 12859684 WJCPZTKWECAPGA-OAHLLOKOSA-N 436.559 2.391 0 40 IEAB Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)nn2)c(C)c1C 13009427 WOFMEXKVBNORHU-UHFFFAOYSA-N 448.499 2.377 0 40 IEAB O=C(Cc1ccc(N2CCCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 14197209 GWUQACGQZDJWFE-UHFFFAOYSA-N 445.516 2.028 0 40 IEAB COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3cc(Cl)ccc3OC)c2N)c1 15942826 SXTGYVZLMCZMQO-UHFFFAOYSA-N 430.852 2.422 0 40 IEAB CCOc1c(C)cc(S(=O)(=O)N2CCN(c3nc(C)cc(N(C)C)n3)CC2)cc1C 17306966 UMHRPNVULYQBTN-UHFFFAOYSA-N 433.578 2.377 0 40 IEAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 17635717 AYIOBXOUOSNNPJ-OAHLLOKOSA-N 441.509 2.473 0 40 IEAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)on1 19122040 MUEQHBCXWYMNBY-DLBZAZTESA-N 438.532 2.225 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)c4ccc5c(c4)OCCO5)[C@H]3C2)cc1 19211851 CVVIQESWSALWHT-NEWSRXKRSA-N 428.510 2.205 0 40 IEAB O=C(Cc1ccsc1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339581 BCWNEZMYKYZZES-GOSISDBHSA-N 435.553 2.343 0 40 IEAB CS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CCC3CCCC3)[nH]c2=O)C1 19572872 LRWGSDBKXDRVLC-SFHVURJKSA-N 436.578 2.112 0 40 IEAB Cc1nonc1CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](NC(=O)c1ccccc1)C2 19749600 HJSDKIKECKJXAG-GOSISDBHSA-N 426.498 2.096 0 40 IEAB NC(=O)c1cc([C@H]2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)nc2ccccc12 19762308 WVSCSUQLRHHCRT-HXUWFJFHSA-N 428.452 2.128 0 40 IEAB CCOC(=O)/C=c1\s/c(=C\c2ccc(C)s2)c(=O)n1CC(=O)Nc1cccc(F)c1 20987921 ZXTVSBNJLDCEOL-QDTGDTQYSA-N 446.525 2.230 0 40 IEAB CC(C)NC(=O)CSc1nnc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)s1 23141827 FJVPWCZKVFDQBJ-HNNXBMFYSA-N 449.602 2.271 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1F)c1ccc(F)cc1 23511081 WSIWTOVFGPZREG-UHFFFAOYSA-N 439.484 2.218 0 40 IEAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NCCNC(=O)c1ccco1 24443309 BXMHWOJCRIGCML-UHFFFAOYSA-N 437.699 2.412 0 40 IEAB COC(=O)C1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCCCCC1 24777182 QODKMVWAQFGGAL-UHFFFAOYSA-N 444.575 2.015 0 40 IEAB CCOC(=O)C1=C(Cn2cnc3sccc3c2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 31641095 PAZJTHPEEHSPQI-KRWDZBQOSA-N 440.481 2.338 0 40 IEAB C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)NC(=O)NC1CCCC1 32774493 SGUHEHNWTZILPN-GFCCVEGCSA-N 426.502 2.358 0 40 IEAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)N1CCC[C@H](C(N)=O)C1)CC2 35336567 ABKADFQJXTULOI-CYFREDJKSA-N 437.540 2.375 0 40 IEAB O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)C(=O)Nc1ccc2c(c1)OCCO2 43941946 MGEDHRXYAOFFQU-UHFFFAOYSA-N 439.468 2.424 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)cc1 45970513 SOCKJXWOSWKUDO-UHFFFAOYSA-N 427.486 2.269 0 40 IEAB CCOC(=O)C1CCN(C(=O)Cn2c(=O)n(CCC(C)C)c(=O)c3sccc32)CC1 57426682 MMBWLSHPHNSRRM-UHFFFAOYSA-N 435.546 2.073 0 40 IEAB CCOC(=O)C(NC(=O)CCSc1ncnc2sc(C)c(C)c12)C(=O)OCC 62639978 VDQSFBPVSXDYBY-UHFFFAOYSA-N 425.532 2.401 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)c(OC)c1 101387262 XNLBAXWRHRTOHM-ZWKOTPCHSA-N 443.847 2.289 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N(C)Cc2nc(-c3ccccc3)no2)Oc2ccccc21 218796273 DUNQHTCWLSOYBU-GOSISDBHSA-N 442.497 2.312 0 40 IEAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 219271404 SWEFJZJOPQCUMZ-HNNXBMFYSA-N 448.526 2.374 0 40 IEAB O=C(NCCSc1ncn[nH]1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 222552653 YITKSOULDJSFFV-KRWDZBQOSA-N 445.570 2.267 0 40 IEAB COC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 225548229 GVUPUAZCJOCNGH-HNNXBMFYSA-N 428.938 2.152 0 40 IEAB CC[C@H](C)NC(=O)c1nnc2n1CC1(CCN(Cc3ccc4c(c3)OCO4)CC1)COC2 306130849 JRDVVFMPCXNNEH-INIZCTEOSA-N 441.532 2.348 0 40 IEAB Cc1nc(C(=O)N2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccccn2)C3=O)cs1 306138035 RNHHWXWLAZUGSM-CVDCTZTESA-N 449.536 2.279 0 40 IEAB CC[C@@H](C)NC(=O)c1nnc2n1CC1(CCN(C(=O)Cc3ccccc3C)CC1)COC2 306138706 SEUSRFBDFVIIAH-GOSISDBHSA-N 439.560 2.497 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408666810 SPRZWOHHISOCOD-PRNVEUERSA-N 447.285 2.126 0 40 IEAB CCN1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 409264156 PKGDNIUURINEFL-UHFFFAOYSA-N 431.558 2.363 0 40 IEAB Cc1ccc(CN2CC3(C2)[C@@H](C(=O)N2CCOCC2)c2ccccc2C(=O)N3C(C)C)cn1 1549168169 UIAZCNDSCVSBFX-HSZRJFAPSA-N 448.567 2.451 0 40 IEAB COc1ccccc1NC(=O)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 1335823 GPYLRXKXGSBZEB-UHFFFAOYSA-N 425.441 2.334 0 40 IEAB Nc1cccc2c1C(=O)N(C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C2=O 3249434 PDCYSDOOWIRTJB-UHFFFAOYSA-N 427.482 2.270 0 40 IEAB NC(=O)c1c(NC(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)sc2c1CCCC2 3358442 INRFZPLZTDEXLH-UHFFFAOYSA-N 425.466 2.363 0 40 IEAB COc1cc([C@H]2C(C(N)=O)=C(C)Nc3nc(-c4ccc(O)cc4)nn32)cc(OC)c1OC 4574529 IQPRHMNERVFULF-SFHVURJKSA-N 437.456 2.451 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1 8626425 DTIOIBCRXDBYQC-UHFFFAOYSA-N 444.509 2.466 0 40 IEAB COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)NCC(C)C)C2=O)cc1 8930288 MMOHFOKJYXVHBJ-UHFFFAOYSA-N 425.485 2.271 0 40 IEAB COc1ccc2c(COC(=O)CN3C(=O)N[C@]4(CCc5ccccc54)C3=O)cc(=O)oc2c1 9128415 CXMKMLOUTJNBMO-DEOSSOPVSA-N 448.431 2.238 0 40 IEAB CCN(C(=O)CN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 9303014 DUUCZENNTGIQOI-WZRAPXEMSA-N 434.539 2.315 0 40 IEAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc3c(c2)OCO3)c1 9672637 UGUXPVMHNFTQOQ-UHFFFAOYSA-N 431.514 2.196 0 40 IEAB COc1cc2c(c3oc(=O)c(CC(=O)N[C@H]4CCS(=O)(=O)C4)c(C)c13)CCC(C)(C)O2 13723891 GLIKRWLLPHDRSB-ZDUSSCGKSA-N 449.525 2.059 0 40 IEAB CCc1ccc(NC(=O)C[S@@](=O)CC(=O)N2CCN(c3ccccc3F)CC2)cc1 15935405 GDXNITUVSPIRRR-PMERELPUSA-N 431.533 2.424 0 40 IEAB COc1ccccc1NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N 16756142 YDNAFNLOHBZTOA-UHFFFAOYSA-N 445.501 2.424 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)c3cccc(F)c3)[nH]c2=O)C1 19293538 XNWYCNGIYZFGIW-HXUWFJFHSA-N 447.470 2.480 0 40 IEAB CCOC(=O)N1CCC(NC(=O)COC(=O)c2ccc(OC)c(Br)c2)CC1 19355201 QNFGNZLRYFYOCD-UHFFFAOYSA-N 443.294 2.352 0 40 IEAB COc1cccc(CN2CCCC[C@H]2c2nc(O)c3c(n2)CCN(S(C)(=O)=O)C3)c1 19565243 WZTFUJXIVPBEBK-IBGZPJMESA-N 432.546 2.236 0 40 IEAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)cc1 19592527 SEPNXCVKNCAWDJ-VQIMIIECSA-N 429.498 2.056 0 40 IEAB NC(=O)c1cccc(-c2ccc([C@@H]3CN(C(=O)Cn4nnc5ccccc54)CCO3)nc2)c1 19692574 IZLCFOJNJIIBIY-QFIPXVFZSA-N 442.479 2.192 0 40 IEAB COc1cc(NC(=O)C2CCN(c3ccc4nnc(C)n4n3)CC2)cc(OC)c1OC 20729782 GROJJDLMUOFPJW-UHFFFAOYSA-N 426.477 2.314 0 40 IEAB CCCCn1c(CSc2nnc(N)s2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 21976534 IQMYAILOGAUYGB-UHFFFAOYSA-N 443.558 2.461 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1 22068484 JBJMPUBGDWULIG-SFHVURJKSA-N 449.598 2.497 0 40 IEAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc(=O)n(C)c(=O)n1C)CC2 22405952 WLMHBWRCOUKJLL-OAQYLSRUSA-N 427.526 2.310 0 40 IEAB Cc1cccn2cc(COc3ccccc3C(=O)N3CCN(CC(=O)NC4CC4)CC3)nc12 22834891 ZCUSXUHWJDPPJO-UHFFFAOYSA-N 447.539 2.258 0 40 IEAB C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NCCc1ccc2c(c1)OCO2 24074608 PTMUGVMOKBXPEV-LBPRGKRZSA-N 444.431 2.460 0 40 IEAB CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(C)cc3)CC2)CC1 24609361 SZOYHJNVNNGXOI-UHFFFAOYSA-N 436.574 2.339 0 40 IEAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 24924289 VJUWTYWJCNGABE-QGZVFWFLSA-N 425.485 2.090 0 40 IEAB Cc1nccn1-c1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1 30866482 AYTQGBZMSRSAJI-HXUWFJFHSA-N 426.498 2.024 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(-n4cncn4)nc3)C2)s1 32769356 HZSUWTQLQUEYSS-AWEZNQCLSA-N 432.531 2.072 0 40 IEAB CC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(Br)cc1Br 40446862 CYRWBNUZWJQTBN-UHFFFAOYSA-N 428.146 2.344 0 40 IEAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](n2cccn2)C1 58291838 VPQFSZUASZIVAE-SJLPKXTDSA-N 429.546 2.344 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)c(CCO)c1=O 67300885 IPMRAURDEHTYRA-UHFFFAOYSA-N 439.443 2.318 0 40 IEAB O=C(c1cnccn1)N1CCc2nc(C3CCN(Cc4ccccc4F)CC3)[nH]c(=O)c2C1 72399015 OTVLXPRTVXMVJG-UHFFFAOYSA-N 448.502 2.277 0 40 IEAB CCCN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@H]1C[C@H](OCC)C12CCCCC2 78876579 PVHSJTZQLWETLT-ROUUACIJSA-N 432.565 2.476 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccccc2OCC(=O)O)C(C)C)cc1 95970651 KPEFVHWAGHSPEP-HXUWFJFHSA-N 434.514 2.078 0 40 IEAB CCCC(=O)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)C[C@@H]4CCCO4)nn3c2O)C1 100234971 BOHYAOZEFSRGKX-HNAYVOBHSA-N 441.532 2.352 0 40 IEAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)O)CC1 100771512 KIDORVQUOANXCJ-NNXHMXCWSA-N 441.569 2.438 0 40 IEAB Cc1ccc(C)c(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 113934089 MJDOFSBARAAKLB-UHFFFAOYSA-N 430.574 2.460 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)c(C)c1 222477487 HNNPBZVRIFGDMQ-UHFFFAOYSA-N 433.530 2.409 0 40 IEAB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(N2CCCCS2(=O)=O)cc1 224385778 INCMAQGMYBBDQN-UHFFFAOYSA-N 443.569 2.379 0 40 IEAB CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1ccc(OC)cc1)S(C)(=O)=O 225275381 KMCJHFUUVZCPDT-MSOLQXFVSA-N 434.514 2.196 0 40 IEAB O=C(NC1CCCC1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(C1CCCC1)[C@H]3C(=O)NC1CCCC1 245229529 AJUGEODEELKVEN-RPMNLZPZSA-N 441.572 2.197 0 40 IEAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O 257317093 VIJXGCGBPOYJJI-HXUWFJFHSA-N 445.523 2.385 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1OC 408616641 AMCCVPVNOGDEDX-UHFFFAOYSA-N 448.541 2.006 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408665239 RAZFKXSUAKONTM-QPOHIBMRSA-N 440.496 2.399 0 40 IEAB C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1141518726 QLSKIRRBPWXJJZ-ZTNFWEORSA-N 442.487 2.196 0 40 IEAB Cc1ncnc(OCC2CCN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)CC2)c1C 1565520778 OPLRFKSQSLYQPY-UHFFFAOYSA-N 432.502 2.018 0 40 IEAB Cn1cnc(C(=O)N2CCC([C@H]3C(=O)Nc4ccc(C(=O)NC5CCCC5)cc43)CC2)n1 2055759419 XRDMMWXIJRBSEN-LJQANCHMSA-N 436.516 2.076 0 40 IEAB CC[C@@H](CO)NS(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1OC 1425805 FGIQGRWIZFQIRF-HNNXBMFYSA-N 441.513 2.311 0 40 IEAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=O)n(-c3ccccc3Cl)c1=O)NCC2 2137153 ZSWVUCXEKNTKLS-GOSISDBHSA-N 429.860 2.137 0 40 IEAB biogenic NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1 3420270 LVHQPCGWQYJIBP-MRXNPFEDSA-N 444.340 2.222 0 40 IEAB O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCC(Cc2ccccc2)CC1 6530708 FALJHYMLTKUNGE-UHFFFAOYSA-N 428.496 2.459 0 40 IEAB aggregator COc1cc(OC)c(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)cc1OC 9189914 ZIEZKXJKEOCNBI-UHFFFAOYSA-N 428.441 2.297 0 40 IEAB Cc1ccnc2nc(C(=O)Nc3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)nn12 9493412 WRUPLUJZSQQXJH-KBPBESRZSA-N 428.518 2.352 0 40 IEAB CN(C)C(=S)SCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9562628 VAJFNLHMTLPOPZ-UHFFFAOYSA-N 437.612 2.252 0 40 IEAB COC(=O)C1=C(C(=O)c2ccco2)[C@@H](c2ccc(Br)cc2)n2nnnc2N1 10232476 CHFJSSNMYVYANU-CQSZACIVSA-N 430.218 2.354 0 40 IEAB O=C(NCc1ccccc1)C1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 12783240 OWOOATGPHXHZSX-UHFFFAOYSA-N 441.553 2.296 0 40 IEAB NS(=O)(=O)c1ccc(Br)c(C(=O)NCCCOCc2ccccc2)c1 12923575 IOWIWJDMMUPTDS-UHFFFAOYSA-N 427.320 2.433 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 12973327 WIJIHVGHVODYFZ-UHFFFAOYSA-N 446.525 2.393 0 40 IEAB O=C(COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)NC[C@@H]1CCCO1 13072329 AGGZPFIWHVLANE-KRWDZBQOSA-N 436.461 2.079 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSC(=S)N3CCCC3)CC2)c(C)c1 16556359 SCQIZTPLKGXFRQ-UHFFFAOYSA-N 441.644 2.250 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=S)Nc3ccc4c(c3)OCO4)CC2)cc1 17099611 CVEGDIKWMVJQNN-UHFFFAOYSA-N 435.527 2.127 0 40 IEAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)on1 19122075 IALJNIKWUDYOJL-SJLPKXTDSA-N 427.505 2.162 0 40 IEAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)[C@H]3CCS(=O)(=O)C3)CC1)N2 19128559 WTACLBZQSNIGLA-SOUVJXGZSA-N 434.484 2.152 0 40 IEAB O=C(CN1C(=O)N2CCN=C2c2cnn(-c3ccccc3)c21)N1CCOc2ccccc21 19374494 SFVNDYJZDYWEML-UHFFFAOYSA-N 428.452 2.300 0 40 IEAB CNc1cc(CN(C)C(C)=O)nc(C2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)n1 19710154 JLBWITRYDZGTNV-UHFFFAOYSA-N 439.516 2.288 0 40 IEAB Cc1nc([C@@H]2CCN(S(=O)(=O)c3cn(C)cn3)C2)ncc1C(=O)Nc1ccccc1F 19758052 FAEWOWVBOFLESX-CQSZACIVSA-N 444.492 2.088 0 40 IEAB COC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009967 LPBBIDUWRGLRQQ-YOEHRIQHSA-N 440.949 2.389 0 40 IEAB O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc2ccccc2c1 21817308 CYPRFXFQFGRTHV-QFIPXVFZSA-N 449.532 2.478 0 40 IEAB CCOc1cccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)c1 22384131 PPMIVSGEXPZQOS-UHFFFAOYSA-N 447.557 2.209 0 40 IEAB COc1ccc(-c2noc(CN3CCN(CC(=O)N4CCCCCC4)CC3)n2)c(OC)c1 22914836 DQJANMSYSYWVRZ-UHFFFAOYSA-N 443.548 2.274 0 40 IEAB COC(=O)c1c(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)[nH]c(C(C)=O)c1C 39984853 HTUBSXPBFVVYHY-UHFFFAOYSA-N 435.502 2.052 0 40 IEAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(c2ncccn2)CC1 57347830 BSIRRCQJMPUFED-UHFFFAOYSA-N 427.534 2.149 0 40 IEAB O=C(NCC(F)(F)F)[C@@H]1CCCN1C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 58218688 SDRPZKLEIIAPKG-JKSUJKDBSA-N 442.438 2.157 0 40 IEAB CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 58370193 VAFLFAHVMMFWGS-MAUKXSAKSA-N 439.541 2.430 0 40 IEAB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccco3)c2=O)=N[C@H]1c1ccc(O)c(OC)c1 59452410 IBLJTWZKQRKKLU-OXRZLYTFSA-N 440.477 2.214 0 40 IEAB O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCn2c(nnc2C(F)(F)F)C1 95475974 NDIBLQOADDPOER-GFCCVEGCSA-N 440.817 2.153 0 40 IEAB O=C1Nc2cc(Br)ccc2[C@H]1CNc1cnn(C[C@@H](O)CN2CCCC2)c1 95940808 LIJDGOMOXLLJJO-DOTOQJQBSA-N 434.338 2.250 0 40 IEAB C[C@H](O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 96306387 LAUPAKPCWDGLQD-SFHVURJKSA-N 447.539 2.017 0 40 IEAB CCS(=O)(=O)[C@@](Br)(I)[C@H](O)c1ccc(N)cc1 96521097 IUYKYMGKRGPIGO-ZJUUUORDSA-N 434.093 2.221 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)[C@H](C)c3nn(C)c(=O)c4ccccc34)cc2n1 100139007 XMZQIISXUXIRPO-RDTXWAMCSA-N 432.484 2.457 0 40 IEAB COCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(S(N)(=O)=O)ccc21 100872929 ZGPMDZZZMHUVAZ-SDXDJHTJSA-N 431.948 2.453 0 40 IEAB COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(S(C)(=O)=O)cc1 206798788 BEJVFQBPWXVWCR-LPHOPBHVSA-N 449.500 2.383 0 40 IEAB Cc1cc(OC2CN(C(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)cc(=O)o1 206958836 NGAFNYMLSKGCAA-UHFFFAOYSA-N 448.541 2.204 0 40 IEAB CS(=O)(=O)N1CC[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)Oc2ccccc21 224216491 LYWRDLHZEHWHEN-NRFANRHFSA-N 444.553 2.468 0 40 IEAB COc1ccccc1OCCNS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 225143033 BTQCDRASYPLZJK-UHFFFAOYSA-N 448.526 2.465 0 40 IEAB CC(C)CN1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 245229520 AHMYIHLZXLGTIQ-PHGOAHNDSA-N 443.588 2.301 0 40 IEAB COCCN1C(=O)CO[C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(=O)O)CC[C@@H]21 257285258 PGHVHDSVKPFKQZ-FPOVZHCZSA-N 448.560 2.286 0 40 IEAB O=C(c1ccccc1)N1CCc2nc3n(c(=O)c2C1)CC1(CCN(C(=O)C2CC2)CC1)C3 306124680 BWIINZHNFZTVRL-UHFFFAOYSA-N 432.524 2.017 0 40 IEAB COCCC(=O)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(Cc1ccccc1)CC3 306126845 FGWMSZJGGBNKAT-UHFFFAOYSA-N 436.556 2.003 0 40 IEAB C[C@@]1(CCCC(=O)NC[C@@H](O)c2cccc(OCc3ccccc3)c2)NC(=O)NC1=O 1137367579 OKVASDNRAXOARB-XXBNENTESA-N 425.485 2.184 0 40 IEAB CN1C(=O)[C@H](ON2C(=O)c3ccccc3C2=O)N(c2ccc(Br)cc2)C1=O 728356 VLKVBNDGACEUEZ-KRWDZBQOSA-N 430.214 2.401 0 40 IEAB CN(CC(=O)OCC(=O)NCCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 3271332 RVNLHPCKJZPKGP-UHFFFAOYSA-N 438.933 2.253 0 40 IEAB CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 8662701 PTWKYOLVMNAHLD-UHFFFAOYSA-N 435.977 2.493 0 40 IEAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)[C@H](C)CC)c12 8971370 DQPBJOLIGRNDDX-JLCFBVMHSA-N 446.500 2.164 0 40 IEAB biogenic CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 9410500 CLPPQTWDIWBBHG-UHFFFAOYSA-N 426.564 2.023 0 40 IEAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1 9747294 QRMLEUYKSOXWQU-QGZVFWFLSA-N 441.981 2.448 0 40 IEAB O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)Nc1ccc(N2CCOCC2)cc1 9777584 CYDSBPLUAGCDBQ-HXUWFJFHSA-N 438.528 2.483 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 9883586 BJIPOAZXVAGGAE-AWEZNQCLSA-N 432.498 2.206 0 40 IEAB CCOCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccccc1C)c(=O)n2C 12231890 LNOXXSSBKIKMOE-UHFFFAOYSA-N 436.516 2.092 0 40 IEAB CCOc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)n2N)cc1 12347983 GCOATJCRKBJNRE-UHFFFAOYSA-N 425.514 2.381 0 40 IEAB COc1ccc(CCNCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1OC 12563341 BVKDXKBUNXEWJE-UHFFFAOYSA-N 435.546 2.033 0 40 IEAB CCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C(N)=O)Oc2ccccc21 12765086 IFSPUNDMMMRSKL-HNNXBMFYSA-N 441.303 2.289 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)c(C)c1 13009306 IVINWUBBTYPIKG-UHFFFAOYSA-N 426.546 2.407 0 40 IEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(Cl)s2)c(=O)[nH]c1=O 14506772 VMPMADCECMXVSZ-UHFFFAOYSA-N 434.905 2.327 0 40 IEAB COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 14937159 ZTQWRTYVHHUVDQ-MRXNPFEDSA-N 445.541 2.308 0 40 IEAB COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)Cc1ccccc1N1CCOCC1 15038904 QVVXZLZPOYCMPR-UHFFFAOYSA-N 440.544 2.027 0 40 IEAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)on1 19121768 ACKVGURREIKFJW-GOSISDBHSA-N 447.561 2.474 0 40 IEAB CO[C@@H]1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1 19592625 KSKKQIUFWYGUNI-SQGPQFPESA-N 442.560 2.323 0 40 IEAB Cc1cc(C(=O)N2CCO[C@]3(CC=CCN(CCc4ccccc4)C3=O)C2)nc(N(C)C)n1 19704408 KIXKBAISYBXDLD-RUZDIDTESA-N 449.555 2.093 0 40 IEAB CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)s1 20443783 KWRBRFCDQSDQFN-UHFFFAOYSA-N 435.525 2.311 0 40 IEAB CC[C@H](c1nc2ccccc2c(=O)n1CCN1CCOCC1)N1C(=O)c2ccccc2C1=O 20518279 CPLCAKMLESLVQS-OAQYLSRUSA-N 446.507 2.476 0 40 IEAB Cc1ccc(NC(=O)CN(C(=O)N2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 22996649 RPGMKWCGTVTUPJ-UHFFFAOYSA-N 444.557 2.300 0 40 IEAB NC(=O)Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 24490832 OGYOOAFFGQHUAO-HNNXBMFYSA-N 435.933 2.407 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)NCc2ccc(C)c(F)c2)cc1 24773820 BFIWUTQOUPTIGK-FQEVSTJZSA-N 448.516 2.455 0 40 IEAB O=C(Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2)Nc1ccc(F)c(Cl)c1 32616274 AUGKNVSHIFGDKB-UHFFFAOYSA-N 439.834 2.384 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)CC1 32824368 KXVYLVHRDBSTBY-ZDUSSCGKSA-N 432.452 2.062 0 40 IEAB CC(=O)N[C@@H](CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)c1ccc(Cl)cc1 32879982 NRAHJVGFFMVFLI-UWJYYQICSA-N 428.876 2.406 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 36037050 VFGRWTKXCIVEPU-CXAGYDPISA-N 426.336 2.266 0 40 IEAB CN1C(=O)[C@]2(N=c3ccccc3=C(O)N2C[C@@H](c2cccs2)N(C)C)c2ccccc21 36358063 GMGFKBJIHOWWGC-RDPSFJRHSA-N 432.549 2.439 0 40 IEAB Cc1cc(Br)ccc1NC(=O)COC(=O)CNS(=O)(=O)c1cccs1 40081977 RBHPKGDQUSYHCC-UHFFFAOYSA-N 447.332 2.279 0 40 IEAB Cc1nc2sc3c(c2c2nn(CC(=O)N4C[C@@H](C)O[C@H](C)C4)c(=O)n12)CC[C@H](C)C3 57731295 SSJXMSNWGJMNFN-YNEHKIRRSA-N 429.546 2.175 0 40 IEAB CCOC(=O)[C@H]1CCCN(CC2=C(C(=O)OC)[C@@H](c3ccc(OCC)cc3)NC(=O)N2)C1 67287162 UTOKUDLUBBLBBZ-OXJNMPFZSA-N 445.516 2.141 0 40 IEAB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 71805066 YPSUDFUWHKAKST-LJQANCHMSA-N 428.508 2.220 0 40 IEAB CC(=O)c1sc(C2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)nc1C 72340172 HWUGCNOYOLHYPU-UHFFFAOYSA-N 447.538 2.205 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN4C(=O)OC[C@@H]4C3)cc2)cc1C 84180898 IAXHOSOGJPDVJV-SFHVURJKSA-N 429.498 2.381 0 40 IEAB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCN(C(=O)C(C)C)C3)c2)cc1 84370505 GWMLXHIDAKTKDP-GOSISDBHSA-N 445.541 2.483 0 40 IEAB O=C(CCn1c(=O)oc2ccccc21)N1CCN([C@@H]2CCCN(c3ccccc3)C2=O)CC1 95998384 DARFEBDLBFRDDU-OAQYLSRUSA-N 448.523 2.324 0 40 IEAB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222431929 ZYSWPSDIQDWFKG-SFHVURJKSA-N 431.558 2.087 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N(C)Cc1ccccc1F 222792562 KNVQZXGNJHEIBS-UHFFFAOYSA-N 436.505 2.192 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225437267 VTLVICIEFMGURH-KRWDZBQOSA-N 449.548 2.390 0 40 IEAB Cc1ncc(C(=O)N2CCCCC2)c([C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)n1 257333998 YEBMYHSSOCATPG-KRWDZBQOSA-N 432.550 2.061 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4cccc(C)n4)C[C@H]2C3)cc1 306132971 LXVSFFUNHZVWSI-CVEARBPZSA-N 432.484 2.187 0 40 IEAB COCc1nc(NC(=O)CCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)n[nH]1 524733315 HMVVMTDDJDGOBU-IBGZPJMESA-N 432.440 2.095 0 40 IEAB biogenic C[C@]1(c2cccc(-c3noc([C@H]4CCCN(C(=O)N5CCCC5)C4)n3)c2)NC(=O)NC1=O 563791366 UHKRMQBELBBMBX-OYHNWAKOSA-N 438.488 2.186 0 40 IEAB O=S(=O)(Cc1ccccc1)N1CC[C@H](COc2ccc3nnc(C(F)(F)F)n3n2)C1 1888921696 LEXKCTZEMCBYJO-AWEZNQCLSA-N 441.435 2.374 0 40 IEAB COC(=O)/C=C1\C=CC=C[C@]12[C@H](C(=O)OC)c1ccccc1[C@H](C(=O)OC)[C@@H]2C(=O)OC 5395884 OTPASNOGWCELDD-HSIGGATCSA-N 440.448 2.214 0 40 IEAB COCCCNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 9095582 FXWGQGZWFLOGRM-UHFFFAOYSA-N 449.529 2.085 0 40 IEAB C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)c1ccc(-n2cncn2)cc1 12697290 LITWWZMDUFCHCQ-OSPHWJPCSA-N 446.511 2.388 0 40 IEAB O=C(CN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)N1CC=C(c2ccccc2)CC1 12783390 CSBLNAGHUQDAHS-DEOSSOPVSA-N 447.535 2.287 0 40 IEAB C[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)N1c2ccccc2C[C@H]1C 12982623 GSXIXOOUZGWGJL-CVEARBPZSA-N 430.526 2.301 0 40 IEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCc2nc(N)nc(N(C)C)n2)cc1 14183424 OZCFBIYHKVTMEW-UHFFFAOYSA-N 428.518 2.314 0 40 IEAB COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 15924713 JBBUENOHXLPWRJ-UHFFFAOYSA-N 428.938 2.152 0 40 IEAB Cc1ccc(CN(CCc2ccccc2)CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)s1 16397192 ZAQMSRXWLPLDRT-GOSISDBHSA-N 449.598 2.114 0 40 IEAB C[C@H](OC(=O)COc1ccc(F)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1 18437596 OKDRYSVDPUKEFG-JTQLQIEISA-N 430.841 2.076 0 40 IEAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H](C)N2CCCC2=O)C1 19077527 UYJFDUHUEZQDDB-AVRWGWEMSA-N 434.540 2.267 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1C[C@@H](C(=O)NC(C)C)[C@H](C(=O)c2ccccc2)C1 19449965 RSCOEJWBUMBSRW-QZTJIDSGSA-N 448.516 2.479 0 40 IEAB O=C(NCCO)c1sc2ccccc2c1[C@H]1CN(C(=O)CN2CCCCCC2)CCO1 19697653 WKHKVOUCFMMIKG-GOSISDBHSA-N 445.585 2.399 0 40 IEAB CCCN1C[C@H](C(=O)N(C)Cc2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)CC1=O 19698074 JAXCQZCICKFSFJ-QGZVFWFLSA-N 429.565 2.327 0 40 IEAB CCNC(=O)NC(=O)[C@H](OC(=O)c1ccc(CN2CCOCC2)cc1)c1ccccc1 22358748 JFGDCQOGSLFUBJ-HXUWFJFHSA-N 425.485 2.263 0 40 IEAB O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCc1cn2ccccc2n1 23319371 DGTJEHJAWFWCAY-UHFFFAOYSA-N 440.447 2.380 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1cc(OC)ccc1OC 32123785 YCGASKNDNDLWJH-QFBILLFUSA-N 448.545 2.379 0 40 IEAB biogenic Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C)c1 34828057 LEVPVCOKBQEXMQ-UHFFFAOYSA-N 445.541 2.020 0 40 IEAB CCn1nc(C)c2c1c(=O)n(Cc1ccco1)c(=O)n2CC(=O)Nc1ccc(F)cc1 35374225 ANWIWKXMNBBXPZ-UHFFFAOYSA-N 425.420 2.107 0 40 IEAB CCc1sc2nc(N3CCN(CC(=O)NCc4ccco4)CC3)n3ncnc3c2c1C 57156128 PKZSSHBBWJCYQM-UHFFFAOYSA-N 439.545 2.241 0 40 IEAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c12 57589692 UXUNVTYVAMIUMY-QFIPXVFZSA-N 430.512 2.417 0 40 IEAB O=C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCC[C@H](N2CCNC2=O)C1 58173919 DIDAXCHSFSVDHZ-SFHVURJKSA-N 432.480 2.113 0 40 IEAB CNc1nc([C@H]2CCCN(C)C2)nc2c1CN(S(=O)(=O)CCc1ccccc1)CC2 72345731 MGDGSZYBJRPKOW-SFHVURJKSA-N 429.590 2.258 0 40 IEAB CON(C)C[C@H](O)Cn1cc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cn1 95456515 WMEVLECCXHGAMI-SFHVURJKSA-N 426.448 2.360 0 40 IEAB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1ccccc1-c1ccc(=O)n(C)n1 96025157 XNVGTMGDKWYEAC-UHFFFAOYSA-N 429.436 2.254 0 40 IEAB COc1cc(OC)c(OC)cc1/C=c1/s/c(=C\C(=O)c2ccccc2C)n(C)c1=O 96766049 AQYNWTLMMAWOHL-DWKIUPLPSA-N 425.506 2.273 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)cc1 100455049 DQIYOVBQRLUWGK-CALCHBBNSA-N 426.473 2.269 0 40 IEAB Cc1cc(C)c2c(c1)[C@@]1(N[C@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 105347932 UAOHXMBTDCHQGE-DCIUSHLOSA-N 425.529 2.127 0 40 IEAB C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)C[C@@H](C)O1 106103877 LUFGJCYDKIZVBV-NXWNEQKCSA-N 432.565 2.159 0 40 IEAB O=C(C1CC1)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 225427843 VERRSGIDCMHLGX-UHFFFAOYSA-N 427.574 2.080 0 40 IEAB biogenic,in-vitro COc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)C(F)(F)F)cc1 252445518 SOQICRJXVIIMDR-FRQCXROJSA-N 440.374 2.356 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(=O)c4cccc(C)n4)C[C@H]2C3)cc1 306132973 LXVSFFUNHZVWSI-HZPDHXFCSA-N 432.484 2.187 0 40 IEAB COC(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 408704787 SXBMOOVWGULZNN-ZDUSSCGKSA-N 434.470 2.038 0 40 IEAB CC(=O)N1CCc2ccc(S(=O)(=O)N(C)[C@H](C(=O)O)c3ccc(F)cc3)cc2CC1 515049393 FESQHKKXIVXROG-FQEVSTJZSA-N 434.489 2.219 0 40 IEAB C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N[C@H](CO)c3ccc(Cl)cc3)cn2)C[C@@H](C)O1 552852519 FKOFYESBIZCYAS-HBUWYVDXSA-N 435.912 2.027 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(S(=O)(=O)CCc4ccccc4)CC3)n2)n1 1775969497 AGHURIXQDUWSKL-UHFFFAOYSA-N 441.557 2.255 0 40 IEAB CC(C)(C)c1ccc(OC[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)C2)nn1 1888888057 FSIMVYDDRVNZFD-AWEZNQCLSA-N 430.530 2.358 0 40 IEAB CCc1c(C)nc(N)n2c(SCC(=O)N3CCN(c4ccccc4OC)CC3)nnc12 1331463 PQQGRORONFEMKQ-UHFFFAOYSA-N 441.561 2.027 0 40 IEAB CN1C(=O)N(C)C2=NNC(c3ccc(N(C)C)cc3)=N[C@]2(c2c[nH]c3ccccc23)C1=O 2140612 SZRGHBVMZDDBEE-QHCPKHFHSA-N 429.484 2.317 0 40 IEAB biogenic CC(C)[C@@H](C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2)N1C(=O)c2ccccc2C1=O 2661761 PNDFUVKPLPCZEP-FQEVSTJZSA-N 436.420 2.064 0 40 IEAB Cc1c(C(=O)OCc2ccccc2)c2cc(NS(C)(=O)=O)ccc2n1S(C)(=O)=O 6142903 QDBFHIVDRDAVFV-UHFFFAOYSA-N 436.511 2.486 0 40 IEAB CC(=O)N1C[C@@H](C(=O)NCC(=O)Nc2ccccc2Br)Oc2ccccc21 9316759 PPRFGXNKFZJDLZ-KRWDZBQOSA-N 432.274 2.318 0 40 IEAB O=C(Cc1cccs1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 9569836 KMRVCQIAQZHCCE-UHFFFAOYSA-N 427.979 2.212 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)ccc21 9646525 XMXJHFIEUSEIDA-QKKBWIMNSA-N 433.530 2.082 0 40 IEAB O=C(CSC1=NS(=O)(=O)c2cc(F)ccc2N1)N1CCN(c2ccccc2)CC1 9708783 JWYUKHKDLQDYOT-UHFFFAOYSA-N 434.518 2.378 0 40 IEAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccccc2)c1 9742764 PXBKIQZLFOPTOB-NSHDSACASA-N 439.877 2.142 0 40 IEAB COc1cccc(CCNC(=O)c2cn(C)c3c(=O)n(-c4ccc(C)cc4)c(=O)[nH]c23)c1 9821013 JXTDKZKFSSVDHG-UHFFFAOYSA-N 432.480 2.307 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(-c4ccco4)nn3)CC2)c1 11693990 YNAVIDZHBYFNIA-UHFFFAOYSA-N 430.486 2.265 0 40 IEAB CCOC(=O)c1ccc2c(c1)SC1=N[C@](C(=O)OC)(C(F)(F)F)N=C(N(C)C)N12 12411142 MSYFBKRZMZTREY-MRXNPFEDSA-N 430.408 2.494 0 40 IEAB O=C(C[C@@H]1NC(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1=O)N1CCCC1 12539009 DEGCEMZEOAYVJD-LPHOPBHVSA-N 434.496 2.088 0 40 IEAB Cc1c(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c(=O)n(-c2ccccc2)n1C 12616833 FQPYBLQZHQEPOJ-UHFFFAOYSA-N 426.498 2.277 0 40 IEAB O=C(CCn1ncc(=O)c2ccccc21)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12867605 JWKWNNDTTQWBOT-UHFFFAOYSA-N 426.498 2.210 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3F)CC2)cc1 12879705 LVZXKJAOEDGAPH-UHFFFAOYSA-N 430.498 2.405 0 40 IEAB Cc1ccc(-n2nnnc2SCC(=O)N2CCN(CCOc3ccccc3)CC2)cc1 13127991 CMOBTYIYWIBVDB-UHFFFAOYSA-N 438.557 2.286 0 40 IEAB O=C(O[C@H]1C2CCN(CC2)[C@@H]1CN1CCOCC1)[C@](O)(c1ccccc1)C1CCCC1 19366221 HUNNPEGZZSIPJQ-CUYJMHBOSA-N 428.573 2.403 0 40 IEAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)nc2c1CCC(=O)N2CC1CC1 19741061 CCPZISZNNYHQGY-KRWDZBQOSA-N 444.561 2.124 0 40 IEAB CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)cc2)NC(=O)N[C@H]1c1cccc(OC)c1 20328675 QFBSMVXLPYETRB-IBGZPJMESA-N 448.472 2.479 0 40 IEAB CCOC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1 20560260 XRQAJFOFWLIXND-QFIPXVFZSA-N 435.528 2.383 0 40 IEAB CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(C(N)=O)cc2)c1 22393782 AFRGYDWKMWIHPN-UHFFFAOYSA-N 430.530 2.278 0 40 IEAB CC(C)[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)N1CCOCC1 22510718 HDRZYNJJYDPKDI-KRWDZBQOSA-N 426.355 2.042 0 40 IEAB CCOC(=O)C1=C(CSc2nnnn2Cc2cccs2)NC(=O)N[C@@H]1c1ccco1 29744763 XRSUBJPVFXGSEF-OAHLLOKOSA-N 446.514 2.339 0 40 IEAB O=C(N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 32402095 FPRCUDXYKQIBBU-DGCLKSJQSA-N 426.395 2.040 0 40 IEAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 32986572 XOUFKTJLRJTLPL-GOSISDBHSA-N 437.562 2.060 0 40 IEAB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)cn1 33197903 GEBFOWGAMVINCU-UHFFFAOYSA-N 426.498 2.094 0 40 IEAB CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc(C(=O)NC)c1C 36308161 ZRFCBRALDCLSON-UHFFFAOYSA-N 444.557 2.354 0 40 IEAB COc1cc(CNC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cc(OC)c1OC 36392014 LMWIDYGZLZIYSD-APWZRJJASA-N 448.516 2.311 0 40 IEAB NS(=O)(=O)c1ccc(OCCSCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1 40152786 UGNNDSXBKRJUAO-UHFFFAOYSA-N 446.453 2.406 0 40 IEAB COc1cc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)cc(OC)c1 45970155 GHSVPNICBOPVFX-UHFFFAOYSA-N 429.502 2.499 0 40 IEAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCC(=O)N1CCCc2ccccc21 48277072 BLELHMKFSYZBFF-MDKPJZGXSA-N 430.574 2.198 0 40 IEAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)C1 48343428 RNJSPYRSNZPVLX-QGZVFWFLSA-N 449.529 2.492 0 40 IEAB CCCCCNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 57992242 NQCSGOKFNWXJJZ-NRFANRHFSA-N 442.564 2.319 0 40 IEAB Cc1cc(C(=O)OCC(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1N1CCNC1=O 64083108 PKBMVFJHNWBTSU-UHFFFAOYSA-N 436.468 2.447 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 72326409 WTWASGSZGKQJRU-QKFKETGDSA-N 435.484 2.176 0 40 IEAB COc1ccc(C(=O)N2CCC[C@]3(C(=O)NCC4CC4)CN(c4ncccn4)C[C@@H]3C2)cc1 96251368 UREVXILNZVXARQ-CPJSRVTESA-N 449.555 2.370 0 40 IEAB COCCn1/c(=N\C(=O)c2ccccc2S(C)(=O)=O)sc2cc(NC(C)=O)ccc21 101041711 XCAIBIVQCZUSIK-LSDHQDQOSA-N 447.538 2.452 0 40 IEAB Cc1c(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 113957934 VLRVUCCLDRTQBU-HNNXBMFYSA-N 446.504 2.417 0 40 IEAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCCCO)cc1OC 222883285 INQNCHBYXUWHLC-MRXNPFEDSA-N 432.492 2.301 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222955082 CXLFZRQTWVEVCW-FQEVSTJZSA-N 431.558 2.169 0 40 IEAB O=C(NCCCN1CCOCC1)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408598078 ZLYMFCHCRGNGIK-NRFANRHFSA-N 445.585 2.079 0 40 IEAB Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c1C 408615873 UBBMBXSORYTMGH-SJLPKXTDSA-N 439.512 2.171 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)ccc1Br 408657424 KBHIWHLOLKQOLC-GNTOHDJUSA-N 449.301 2.270 0 40 IEAB CCCCn1nnnc1CN1CCCC2(CCCN(Cc3nnnn3CCCC)C2)C1 564394517 YTSMUZDKBNUOIY-UHFFFAOYSA-N 430.605 2.138 0 40 IEAB Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)NCCn3nc4c(cc3=O)CCCC4)n2)cc1 585149982 IASUYNJQDCAXLR-KRWDZBQOSA-N 433.512 2.032 0 40 IEAB CCOC(=O)N1CCC(N2CCN(C(C)=O)C[C@@](O)(COc3cc(C)cc(C)c3)C2)CC1 585287193 KSDNIHKBJKLKOC-DEOSSOPVSA-N 447.576 2.198 0 40 IEAB C[C@@]1(c2ccc(C(=O)N[C@H]3CCc4nc(-c5ccccc5)ncc4C3)cc2)NC(=O)NC1=O 673963013 APRKKDXYBIZCIZ-DFBJGRDBSA-N 441.491 2.486 0 40 IEAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)NCc1cccc(Br)c1 1547200953 CYZWIXAGZQCVSR-UHFFFAOYSA-N 442.273 2.112 0 40 IEAB Cc1[nH]c(N)nc(=S)c1CCCNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 1708333 NBJWSTOWOSNFBZ-HNNXBMFYSA-N 447.517 2.122 0 40 IEAB CCOCCCn1c(=O)[nH]c(=O)c2c(N)c(C(=O)c3ccc(OC)c(OC)c3)sc21 3261462 LCUUEPGOVDWUOM-UHFFFAOYSA-N 433.486 2.008 0 40 IEAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc5c(c4)OCO5)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 9075863 XEMYGZGGKMSRJY-MBPVOVBZSA-N 445.431 2.021 0 40 IEAB NC(=O)c1ccsc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9377669 FCOWHUOWXRKQMQ-UHFFFAOYSA-N 426.483 2.000 0 40 IEAB CC(C)OCCCNC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 9488419 BWSWKNIOBNTIKO-AVBTWRTFSA-N 433.574 2.471 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@@H]3CC(=O)Nc4cc(F)ccc43)CC2)cc1 10339679 PCNZVSOCVAIFCY-LJQANCHMSA-N 445.516 2.483 0 40 IEAB CS(=O)(=O)c1cccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@@H]2CCCO2)c1 12879696 BECPHIKJKJAGBE-INIZCTEOSA-N 441.509 2.148 0 40 IEAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1OC 14244540 VRSHVSJMJWNDNW-UHFFFAOYSA-N 437.518 2.026 0 40 IEAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCN3CCOCC3)cc2)cc1 16293344 SKBBZJIJGCZLOC-UHFFFAOYSA-N 447.557 2.013 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)cc1 19211355 FMNMHYQQYOYKST-QGZVFWFLSA-N 433.530 2.460 0 40 IEAB CCS(=O)(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CCCCC3)[nH]c(=O)c2C1 19520393 STAKIUCOOIHZDV-SFHVURJKSA-N 436.578 2.112 0 40 IEAB CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCOCC1 20080788 TYIHQDYABJCCST-IBGZPJMESA-N 442.520 2.099 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1C 22247402 QSJNCJLQEJHIHT-OAQYLSRUSA-N 445.585 2.057 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)c1 22740446 UVPSLKFXZWALLN-HUUCEWRRSA-N 437.484 2.116 0 40 IEAB COc1ccc(CN2CCN(Cc3nc4cc(OC)c(OC)cc4c(=O)[nH]3)CC2)cc1F 22914973 FBWMAZGMZXWWBD-UHFFFAOYSA-N 442.491 2.406 0 40 IEAB COc1ccc(-c2noc(CN3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)n2)cc1 23259343 IMHPMYFMHDNDRJ-HXUWFJFHSA-N 436.468 2.229 0 40 IEAB COCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)cc1 32868724 QAHMWYUYCYOXTG-MRXNPFEDSA-N 446.525 2.136 0 40 IEAB C[C@@H](OC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)Nc1ccccc1 32946850 XHSVQEDHVHQWQS-CRAIPNDOSA-N 432.498 2.328 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 33103507 HKDRTTWOZYRUSW-UHFFFAOYSA-N 429.542 2.331 0 40 IEAB COc1cc(NC(=O)COC(=O)c2csc(-c3ncccn3)n2)cc(OC)c1OC 40150431 BBJGRPJQIHKIOW-UHFFFAOYSA-N 430.442 2.421 0 40 IEAB CC(C)C[C@H](C(=O)N(C)Cc1nnc2n1CCCCC2)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 48291059 MJVGLNMZETUZHM-OKZBNKHCSA-N 427.549 2.329 0 40 IEAB Cc1ccc([C@@](O)(CCNC(=O)Cn2cc(Br)ccc2=O)C(F)(F)F)o1 65551182 NGFSVRPTDIKLNC-HNNXBMFYSA-N 437.212 2.469 0 40 IEAB O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCC[C@@H](c2ccnc3ncnn23)C1 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IJVJDEKPPLFCMI-JOCHJYFZSA-N 447.438 2.326 0 40 IEAB O=C1CN(C(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c2ccccc2N1 9127997 YZAUVMYWJQZBQY-UHFFFAOYSA-N 446.463 2.265 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2ccc3c(c2)CCC(=O)N3)C1=O 9721324 HNZTXVIXEPMFDY-DEOSSOPVSA-N 449.463 2.383 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc(Cc3cccs3)n1C)n2C 12529848 ZNWMNJVGSUXXFK-UHFFFAOYSA-N 445.574 2.297 0 40 IEAB Cn1c(=O)c2ccccc2n2c(CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)nnc12 12610140 IQRATNCONJQYHP-XMMPIXPASA-N 442.479 2.255 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3OCCc4ccccc43)n2)cc1OC 12881667 HHZANTAKQWXSND-JOCHJYFZSA-N 435.480 2.358 0 40 IEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2ccc(F)cc2)c(=O)[nH]c1=O 13149991 DYJKUKDWBJFLLY-FMIVXFBMSA-N 438.459 2.151 0 40 IEAB CCN1CCC[C@@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccc(OC)cc2)CC1 13732389 NSJGEXWTVXFQHP-CTWPCTMYSA-N 437.606 2.380 0 40 IEAB COc1ccc(CC(=O)NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1OC 13854804 LCRHKVWPHUYWDE-UHFFFAOYSA-N 425.485 2.141 0 40 IEAB O=C(CCc1ccsc1)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 16125915 IYFIMQCIWOMDJO-UHFFFAOYSA-N 425.528 2.324 0 40 IEAB CCOC(=O)c1c(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)sc(C(=O)OCCOC)c1C 16443397 PGTNKDQAMFWQBI-STQMWFEESA-N 442.534 2.084 0 40 IEAB CNC(=O)c1ccc(-c2ccc([C@@H]3CN(C(=O)c4ccnc(NC)c4)CCO3)nc2)cn1 19693832 SCYKQPDNSUIMKI-FQEVSTJZSA-N 432.484 2.154 0 40 IEAB CCn1ccc(C(=O)N2CCO[C@@H](c3c(C(=O)NCCOC)sc4ncccc34)C2)n1 19703032 RAFKVHIXICWPMP-MRXNPFEDSA-N 443.529 2.103 0 40 IEAB CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NCCc3ccccc3)CC2)cc1 21151327 BKJJLEBRXPDWAS-UHFFFAOYSA-N 435.532 2.131 0 40 IEAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 23560776 YOOMFSJQLFEWPT-SMDDNHRTSA-N 429.546 2.479 0 40 IEAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 24148370 WCQAVERALPBILH-UHFFFAOYSA-N 431.496 2.008 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)NCCc2ccccn2)c1 32657680 IUJMYLVSUCDIIQ-UHFFFAOYSA-N 434.562 2.143 0 40 IEAB O=C(CCN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)N[C@@H]1CCS(=O)(=O)C1 33526968 ABOFIZSSZJKXTR-OZYJXZHSSA-N 428.919 2.070 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)cc1Cl 35597301 LPCZTEREJDMYCD-UHFFFAOYSA-N 448.936 2.144 0 40 IEAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)Nc1cccc(Cn2cccnc2=O)c1 48368818 NMDSLPFFJGMKLU-JOCHJYFZSA-N 433.512 2.314 0 40 IEAB CC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 56918682 YSPYKDFWKQDYEI-UHFFFAOYSA-N 445.523 2.225 0 40 IEAB C[C@H](CCc1ccco1)NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2 72326052 BXXUKIMWEOBJAT-WAIKUNEKSA-N 425.485 2.248 0 40 IEAB O=C(C[C@@H]1C=CCC1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1 72398891 KLGVZCLRDHWJCB-QGZVFWFLSA-N 426.561 2.369 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(N2CCC(Oc3nccs3)CC2)CC1 96122408 KMMQMQNXBGFLOC-UHFFFAOYSA-N 426.564 2.444 0 40 IEAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2cccc(F)c2)CC3)C1=O 96144432 MQSIKVOIIUEKFY-XMMPIXPASA-N 444.551 2.213 0 40 IEAB Cc1cc(C(=O)N2CCC3(CC2)O[C@@H](C(=O)NCc2ccccc2)Cn2ccnc23)no1 96144699 OSRWGENGHXONEW-LJQANCHMSA-N 435.484 2.026 0 40 IEAB CS(=O)(=O)N1CCC[C@@H](NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)C1 106864553 BVCATFSOUDIADV-WOJBJXKFSA-N 429.542 2.088 0 40 IEAB CN1CCN(c2ccc(NS(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)cc2)CC1 223040430 NIUIXDHUVAUNGA-UHFFFAOYSA-N 438.579 2.075 0 40 IEAB COc1ccc(CN(C(C)=O)[C@H](Cc2ccccc2)C(=O)NCCN2CCOCC2)cc1 223261521 VDMIUGJRZOPRLV-XMMPIXPASA-N 439.556 2.103 0 40 IEAB COc1cccc(C=c2sc3nc(-c4cc(OC)c(OC)c(OC)c4)nn3c2=O)c1 254745271 FLSSKIGHDTYKON-UHFFFAOYSA-N 425.466 2.400 0 40 IEAB O=C(NCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1)c1ccccn1 257251936 JSXINCRIRSHWGO-MQDRFIBZSA-N 447.539 2.306 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)CCN(C)c3ccccc3OC)C2)nc2c1CN(C)CC2 257279414 OGLYWHAVZKFRAS-QGZVFWFLSA-N 438.576 2.357 0 40 IEAB O=c1c2c(nc3n1CC1(CCN(Cc4ccccn4)CC1)C3)CCN(Cc1cccnc1)C2 306139135 SQCHLVURWPPYHV-UHFFFAOYSA-N 442.567 2.430 0 40 IEAB C[C@H](Oc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C(=O)N1CCOCC1 408586565 AOGWSAUNJZWQPG-KRWDZBQOSA-N 430.526 2.454 0 40 IEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)CCN(C)C(=O)[C@@H]1Oc2ccccc2O[C@H]1C 511002956 WEJJITYCMQYIFT-WWLNLUSPSA-N 440.496 2.360 0 40 IEAB COc1cc2c(cc1OC)[C@H](NC(=O)Cn1cnc3cc(OC)c(OC)cc3c1=O)CC2 524729943 OZHOEJFDVLCYKR-MRXNPFEDSA-N 439.468 2.235 0 40 IEAB biogenic O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575612765 MOZPESZISXFRKC-INIZCTEOSA-N 436.921 2.208 0 40 IEAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)c1 578580397 DJRFHIIUGTWCAR-FQEVSTJZSA-N 448.527 2.168 0 40 IEAB CCOC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)NC(=S)N[C@]1(O)C(F)(F)F 946527 USWKMVUNMKVHGY-OPQQBVKSSA-N 427.242 2.398 0 40 IEAB C[C@@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)N1C(=O)c2ccccc2C1=O 1777557 TVIMWDPAMUQXEJ-JTQLQIEISA-N 429.479 2.323 0 40 IEAB CCN(C(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1cccc2ccccc12 3296157 KABZFHJJRXUOHH-UHFFFAOYSA-N 431.448 2.439 0 40 IEAB O=C(OCn1nnc2ccccc2c1=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 3364684 HABPQXWOQSAPIF-LAUBAEHRSA-N 440.456 2.022 0 40 IEAB Cc1cc(C)c2c(c1)[C@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 5205155 UAOHXMBTDCHQGE-GHGPBFDQSA-N 425.529 2.127 0 40 IEAB CCCCn1c(SCC(=O)Nc2nc(C)c(C)s2)nc2c1c(=O)n(C)c(=O)n2C 6162155 IMYYAMKKQRTAJZ-UHFFFAOYSA-N 436.563 2.038 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 9047318 NFFFRUZPAHZVHR-NRFANRHFSA-N 434.496 2.420 0 40 IEAB CCN(CC(=O)Nc1ccccc1OC)C(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1 9223948 WYHUSOSKUKFSHY-CCEZHUSRSA-N 445.541 2.415 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N(c1ccccc1)[C@H]1C=CS(=O)(=O)C1 9415883 HOAWFZYSGYXRLF-IBGZPJMESA-N 446.550 2.429 0 40 IEAB COC[C@@H](C)NC(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 9481895 XTWFTQYRENIZLK-CYBMUJFWSA-N 427.548 2.246 0 40 IEAB CCOc1ccc(NC(SCC(=O)NCC(C)C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9973656 IFUQSFDKNYNYHT-UHFFFAOYSA-N 448.545 2.265 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1Cl 11866629 JUTCTFBRQCOECK-CQSZACIVSA-N 431.876 2.279 0 40 IEAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)CCc1nn(C)c(=O)c2ccccc12 12141955 CZFBGEHCJFGXGO-KRWDZBQOSA-N 431.496 2.171 0 40 IEAB COc1ccc(C)cc1NC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 12538097 MSYYXRKTEGKVMX-NRFANRHFSA-N 425.485 2.069 0 40 IEAB CCCCn1c(CCC(=O)N2CCOCC2)nc2cc(S(=O)(=O)N3CCCC3)ccc21 12601243 FPNKQHFRTBTQQS-UHFFFAOYSA-N 448.589 2.412 0 40 IEAB CCCCn1nc(C(=O)NCc2ccccc2CS(=O)(=O)NC)c2ccccc2c1=O 12613622 MTOAUTHLQJQDLP-UHFFFAOYSA-N 442.541 2.176 0 40 IEAB CO[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O 12860003 WYAMNJUPQNEGOI-YCXOGWGTSA-N 436.504 2.449 0 40 IEAB CC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)CC1 12919704 GWVIZFYYKOXSHM-UHFFFAOYSA-N 435.590 2.338 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccccc1Br 12980560 ZPYHJOODXXFIAO-UHFFFAOYSA-N 429.274 2.074 0 40 IEAB C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1=O 13164060 MKYCXRZRDWBMGA-SJLPKXTDSA-N 447.582 2.191 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccccc1 13940297 HQWSFANIJGJSAI-MTGKDYNDSA-N 448.500 2.497 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1 15587100 UMBCRRHFWRPGRE-UHFFFAOYSA-N 446.934 2.170 0 40 IEAB COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)c2csnn2)cc1 15935936 LYVJDTYWPYEKIW-UHFFFAOYSA-N 426.454 2.239 0 40 IEAB C[C@H](C(=O)N[C@@H]1CCc2ccccc21)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 19080002 SCTYIIANCMSUBI-JLCUDIMXSA-N 433.512 2.138 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1C)CC2 19141936 ZDOGYGFTIBKQBR-UHFFFAOYSA-N 447.509 2.157 0 40 IEAB COc1ccc(S(=O)(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)cc1C 19571413 RJSJUKBGEVKMTM-INIZCTEOSA-N 426.498 2.327 0 40 IEAB CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)COc3ccc(F)cc3)n2)CC1=O 19701025 UGVZFIFCAMGLEM-INIZCTEOSA-N 443.523 2.443 0 40 IEAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2CCc1ccccn1 19706553 IDRWSCFMGDHTIK-GOSISDBHSA-N 444.605 2.161 0 40 IEAB COC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20006532 HLJNKTODKQQMAX-KDOFPFPSSA-N 440.949 2.389 0 40 IEAB COCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1OC 20009397 SVGZDPRYDFVZGF-MRXNPFEDSA-N 426.922 2.001 0 40 IEAB CC[C@@H]1CCCCN1CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20244417 YWPMFAPLPVWHMP-GOSISDBHSA-N 428.574 2.209 0 40 IEAB CN1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4cccc(Cl)c4)c(=O)n32)CC1 22768371 VPUNPGWNHZWKML-HNNXBMFYSA-N 444.948 2.047 0 40 IEAB CCOc1c(Br)cc(Cl)cc1NCC(=O)N[C@H]1CCS(=O)(=O)C1 25070624 YYMXRPUKMSRJCJ-JTQLQIEISA-N 425.732 2.216 0 40 IEAB C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 34872855 ZZYANOVZNAVBRQ-CQSZACIVSA-N 433.496 2.459 0 40 IEAB CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc2c(c1)OCCO2 35485576 GIWKVEVQMPZUBP-OALUTQOASA-N 441.553 2.349 0 40 IEAB CN(c1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1)S(C)(=O)=O 38753837 CRVGSZQOXCFMRI-UHFFFAOYSA-N 431.923 2.360 0 40 IEAB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1ccco1 40059938 VAQDUBSKXLYBLD-OAHLLOKOSA-N 435.502 2.144 0 40 IEAB Cc1cc(NC(=O)Cn2ncc(SCC(N)=O)c(Cl)c2=O)ccc1Br 49401054 ZUYCWECIAQBNCO-UHFFFAOYSA-N 445.726 2.184 0 40 IEAB O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)o1)N1CCC2(CC1)OCCO2 49448219 WHKONPWFRKBMEX-UHFFFAOYSA-N 429.502 2.189 0 40 IEAB COc1ccccc1-c1nc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)n[nH]1 58171471 RSNCUYNGVXQYAX-UHFFFAOYSA-N 431.474 2.419 0 40 IEAB Cc1ccc(CNC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCCC4)cn3)cn2)cc1 67245873 PQJVYSIFLDEVFJ-UHFFFAOYSA-N 425.514 2.290 0 40 IEAB O=c1c2cnc(N3CCN(c4ccccc4F)CC3)nc2nc(O)n1-c1cccc(F)c1 67264300 VSJSODUXBXYQAM-UHFFFAOYSA-N 436.422 2.486 0 40 IEAB CC[C@@H](C)[C@@H](NCC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)C(N)=O 89942168 NKWYXQIFMWHFMV-FOIQADDNSA-N 438.594 2.068 0 40 IEAB CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)O1 96144887 IVPOVZKWWHGHED-IBGZPJMESA-N 446.573 2.139 0 40 IEAB CS(=O)(=O)N1CCn2c(-c3cccc(F)c3)cnc2C12CCN(c1ncccn1)CC2 96144921 ASECXIIPXSYRBI-UHFFFAOYSA-N 442.520 2.250 0 40 IEAB COc1cc(OC)c(OC)cc1CN1[C@H]2CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 100737777 TWALGRONQDQRQW-ROUUACIJSA-N 429.517 2.136 0 40 IEAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 147115076 QWVQSHFTJPGNED-LJQANCHMSA-N 444.605 2.291 0 40 IEAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O 220098602 VGKHYUDRBXXJGN-UHFFFAOYSA-N 436.440 2.439 0 40 IEAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223040980 MCYZKTPINYSGKY-OAQYLSRUSA-N 445.585 2.044 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2ccc(C)c(C)c2)cc1N1C(=O)CCC1=O 225179394 ZUAJBUKAZZSEFI-UHFFFAOYSA-N 432.498 2.323 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N[C@H](c2cccnc2)C2CCOCC2)cc1 225625579 BGBCRUWVIBJMRG-NRFANRHFSA-N 429.498 2.181 0 40 IEAB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F 257260639 LDRZBNYFXZITAS-UHFFFAOYSA-N 434.898 2.157 0 40 IEAB CC(C)(C(=O)N1CCC[C@H](CC(=O)NCc2ccc3c(c2)CCCO3)C1)n1cncn1 257338524 YXUXHSFNCIAFRV-GOSISDBHSA-N 425.533 2.283 0 40 IEAB CCSc1nnc(C(F)F)n1NC(=O)c1nn(C)cc1I 2791006 GZOCLHDXMSTZNQ-UHFFFAOYSA-N 428.206 2.050 0 40 IEAB CCOc1ccc2nc(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 3529132 WLXJKQMMLJNZKK-UHFFFAOYSA-N 434.543 2.060 0 40 IEAB Cc1cc(C)c2c(c1)[C@@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 5205153 UAOHXMBTDCHQGE-PDBOTTCSSA-N 425.529 2.127 0 40 IEAB COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCc2ccccc21 6136263 SIBMKHLLSNYUJS-OAQYLSRUSA-N 446.467 2.042 0 40 IEAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(N3CCN(c4ccccc4F)CC3)N2)cc1 8758294 FUGZRJCMOWEXSY-LJQANCHMSA-N 439.491 2.230 0 40 IEAB Cc1cnc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cn1 8880931 LZZNFIDJQLWHPR-UHFFFAOYSA-N 440.481 2.406 0 40 IEAB COc1cc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc(OC)c1 9747465 WKFAZNWMFVXLOK-UHFFFAOYSA-N 446.573 2.432 0 40 IEAB Cc1ccc2c(c1)S[C@@H](C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C2 10278383 VOPKUPKZPVUFSQ-OAQYLSRUSA-N 446.594 2.490 0 40 IEAB CC(C)[C@H](Sc1nnc(COc2c(Cl)cccc2Cl)n1N)C(=O)NC(N)=O 10918737 VIBKPJRUIIMRGE-LBPRGKRZSA-N 433.321 2.189 0 40 IEAB O=C(Nc1nnc(-c2ccno2)o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 12234557 YEDUNOMQRYQIDY-QMMMGPOBSA-N 429.867 2.231 0 40 IEAB COc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 12536650 TXEBRWHHGYKWAX-UHFFFAOYSA-N 431.558 2.329 0 40 IEAB O=S(=O)(NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1cccc(Cl)c1 12557591 PWXPSDQVAZAKRL-UHFFFAOYSA-N 430.939 2.215 0 40 IEAB CCCCc1ccc(-n2nnnc2SCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 12817805 CRFIHOOPLUKWEY-UHFFFAOYSA-N 446.558 2.383 0 40 IEAB COc1ccc(N(CC(=O)NCCCN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC 13674771 CXZUSJFKVMAZGH-UHFFFAOYSA-N 449.573 2.275 0 40 IEAB CC(C)c1ccc(N(CC(=O)N2CCN(C=O)CC2)S(=O)(=O)c2ccccc2)cc1 13676679 YJESEOLKNZFEKS-UHFFFAOYSA-N 429.542 2.306 0 40 IEAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 14093342 DRBIRAQRLYWXHQ-ZDUSSCGKSA-N 436.490 2.053 0 40 IEAB O=C(c1ccco1)N1CCN([C@H](c2ccccc2F)c2nnnn2C[C@@H]2CCCO2)CC1 19347841 HQHGFIXEFFYWIC-OXJNMPFZSA-N 440.479 2.132 0 40 IEAB COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)[C@@H]4CC(=O)N(C)C4)C3)cc2)cc1 19587203 DOOPEFNCOUHJQR-QFQXNSOFSA-N 449.551 2.477 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)c1 19692650 IHGVZBBHUDCAAR-FQEVSTJZSA-N 449.511 2.131 0 40 IEAB Cc1ncc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C[C@H]3CCCO3)CC2)n1 19757264 YANHLNHRYVDAJT-HXUWFJFHSA-N 437.544 2.460 0 40 IEAB COCCNC(=O)c1cc([C@H]2CN(C(=O)c3cnc(C)nc3C)CCO2)nc2ccccc12 19762861 OROOZRKLZBJTFE-JOCHJYFZSA-N 449.511 2.232 0 40 IEAB COc1ccc(S(=O)(=O)n2cc(CCN3CCS(=O)(=O)CC3)c3ccccc32)cc1 20388279 MLPSIAWYYOYVQJ-UHFFFAOYSA-N 448.566 2.160 0 40 IEAB COc1ccc(CC(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 22226920 WLFXOJCJBBHABG-UHFFFAOYSA-N 432.542 2.390 0 40 IEAB O=C(COc1coc(CN2CCN(Cc3ccccc3)CC2)cc1=O)NC1CCCC1 22577653 GPMFMKQVPQIYGV-UHFFFAOYSA-N 425.529 2.395 0 40 IEAB O=C(C(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1)c1c[nH]c2ccccc12 23134351 CDUBMCDRZRKNNT-UHFFFAOYSA-N 449.902 2.324 0 40 IEAB CCOC(=O)c1cc(NC(=O)CN2CCN(c3ccccn3)CC2)cc(C(=O)OCC)c1 23508569 UUOBIJYDVNIGJQ-UHFFFAOYSA-N 440.500 2.196 0 40 IEAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC(c2nnc3ccccn23)CC1 29029718 XXZAPVLXUPUMFZ-UHFFFAOYSA-N 444.495 2.385 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)C1 32903828 SSOLIYWDGZDXDY-HOTGVXAUSA-N 428.576 2.259 0 40 IEAB Cc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 35877348 KGJXMWPXXOROQJ-UHFFFAOYSA-N 432.571 2.058 0 40 IEAB COc1ccc(-n2cnc3cc(C(=O)N4CCC(C(N)=O)CC4)ccc3c2=O)cc1Cl 36364932 HJULPMYCVCJPPK-UHFFFAOYSA-N 440.887 2.385 0 40 IEAB COc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)cc1N1CCCCC1=O 48302350 JYKPKCZEYJCOHV-XLIONFOSSA-N 446.548 2.071 0 40 IEAB CNC(=O)CSc1cnn(CC(=O)Nc2cccc(Br)c2)c(=O)c1Cl 49401113 UKSHAQSOKAGOML-UHFFFAOYSA-N 445.726 2.136 0 40 IEAB Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 57992640 FBBBUGCSCQZXGQ-OAQYLSRUSA-N 449.490 2.411 0 40 IEAB C[C@H]1CCCN(c2ncc(S(C)(=O)=O)c(C3CCN(C(=O)[C@@H]4CCCO4)CC3)n2)C1 72335934 MYZWTFPSFYSSEY-RDJZCZTQSA-N 436.578 2.001 0 40 IEAB CC[C@H](C)NC(=O)CN1CCN(CC(=O)N(C)Cc2cc(Br)cs2)CC1 97477623 CZDLMEVXMYTFKY-AWEZNQCLSA-N 445.427 2.001 0 40 IEAB Cc1ccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 223845304 NBUKCOAIQBWZQZ-HOTGVXAUSA-N 438.571 2.430 0 40 IEAB C[C@@H]1CCCN(c2cc(N3CCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 225903424 UBGKVXHCZWLJFE-GOSISDBHSA-N 447.653 2.322 0 40 IEAB COC(=O)N1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3cnn(C)c3)CC2)C1 306137306 QSFYEGROXRNWHG-UHFFFAOYSA-N 427.534 2.313 0 40 IEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 575422264 AXJGMCLMUDWTAR-OAHLLOKOSA-N 428.919 2.058 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@H]2CCc3ccccc3C2)cc1C 679799167 UAQZXRZZCMEBQU-ZEYPLWLESA-N 442.581 2.349 0 40 IEAB C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1141518719 QLSKIRRBPWXJJZ-BPAFIMBUSA-N 442.487 2.196 0 40 IEAB CC(=O)N1CCC(N2CCC3(CC2)CNC(=O)COc2ccccc2CCCCO3)CC1 2037985591 OYRNJMUOSRQQLG-UHFFFAOYSA-N 443.588 2.380 0 40 IEAB CCN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ccc(F)c(F)c2)CC3)C1=O 2055794389 SFGCQFYAOBKRMQ-OAQYLSRUSA-N 441.544 2.061 0 40 IEAB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 868494 LEGHDMUVDRBCTJ-KRWDZBQOSA-N 445.472 2.338 0 40 IEAB CCOc1ccc(S(=O)(=O)NN[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 2656297 PHTGCJZNPIHAEI-INIZCTEOSA-N 437.905 2.162 0 40 IEAB COc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c(c2=O)SCC3)cc1 2719865 SIGMUHNPSBJXJV-OAHLLOKOSA-N 433.555 2.277 0 40 IEAB COC(=O)c1cc(COC(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCC3)oc1C 3329285 USLJEGWASNUMEI-UHFFFAOYSA-N 434.470 2.486 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 3333599 SLXKRRWCLBENNV-UHFFFAOYSA-N 447.538 2.471 0 40 IEAB COc1ccc(CNC(=O)NC[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1OC 9065703 JNLRYBGKSURMTM-OAHLLOKOSA-N 427.457 2.285 0 40 IEAB CCOC(=O)Cn1c(=O)c2c3c(sc2n(CCN2CCCCC2)c1=O)CC[C@@H](C)C3 9410725 KJSARNCMWUEJKJ-OAHLLOKOSA-N 433.574 2.399 0 40 IEAB Cc1occc1-c1nc(N2CCN(S(=O)(=O)N(C)C)CC2)ncc1-c1ccccn1 12222837 GEJBKHQHMAXYCE-UHFFFAOYSA-N 428.518 2.035 0 40 IEAB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CCN(CC(=O)N2CCOCC2)CC1 12691538 ZJEABFSMIAHKAS-DHZHZOJOSA-N 449.551 2.282 0 40 IEAB C[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)Nc1cccc(C(F)(F)F)c1 12792696 KJNBQDJHKGJDRA-LLVKDONJSA-N 443.403 2.073 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1ccc(F)cc1F 12867346 OSYMQRNDSLGOEE-UHFFFAOYSA-N 435.496 2.399 0 40 IEAB CCOc1ccc(NC(=O)[C@H](C)n2c(=O)oc3ccccc32)cc1S(=O)(=O)N(C)C 14117860 WVHOFZUBJSTPRX-ZDUSSCGKSA-N 433.486 2.443 0 40 IEAB CCOc1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 15881630 INSCGXJUNAGBBQ-UHFFFAOYSA-N 431.558 2.130 0 40 IEAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H](C)N)CC2)cc1 16009824 ZAHVSQTWVUUWLF-XMSQKQJNSA-N 436.556 2.247 0 40 IEAB CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)[C@H]4CCCO4)nn3c(O)c2C1 19085918 YQUTYBAHQKPTSV-RTBURBONSA-N 441.532 2.208 0 40 IEAB O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)N1CCc2ccccc21 19375413 WVSZTHJLJWXRJA-UHFFFAOYSA-N 442.523 2.379 0 40 IEAB Cc1cc(C)n(CCNC(=O)[C@H](C)N2CC[C@]3(CCC2=O)CC(=O)c2ccccc2O3)n1 19574235 XHCBNCBGHHZRJL-MHECFPHRSA-N 438.528 2.421 0 40 IEAB CN1CC[C@@]2(CCC1=O)CN(CC(=O)NCCc1ccccc1)C(=O)c1ccccc1O2 19588482 OURSXABXEPTTKR-VWLOTQADSA-N 435.524 2.261 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)c2oc(C)nc2C)CCO1 19702927 GJWXZSFQYFPPIL-OAHLLOKOSA-N 444.513 2.491 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccn2)CCC3)C1 19706963 PCDLPKUPDBXTFO-IBGZPJMESA-N 436.560 2.017 0 40 IEAB O=C(c1cccc(Nc2ncccn2)c1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 24861752 FNAYHXJWRXWOAN-UHFFFAOYSA-N 444.561 2.099 0 40 IEAB CCCNC(=O)CN1CCN(C(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)CC1 25192277 AOHRIIYJXBFPFU-UHFFFAOYSA-N 444.532 2.163 0 40 IEAB CCn1c(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc2c(C)nn(C)c2c1=O 28556822 MOAOSFISBXRVEF-UHFFFAOYSA-N 432.887 2.213 0 40 IEAB COc1cccc(NC(=O)CN(C)C(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)c1 29199508 BQVPRPOATWXNJS-UHFFFAOYSA-N 438.528 2.443 0 40 IEAB CC(C)Oc1ccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 30871072 QTPQKZKJGOJFIL-UHFFFAOYSA-N 434.514 2.327 0 40 IEAB O=C1COc2ccc(C(=O)OCC(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2N1 32860285 LSYPCSJJDXPDTO-QPJJXVBHSA-N 435.480 2.032 0 40 IEAB COc1ccc(NC(=O)c2ccc(NC(=O)CN3CCN(C(=O)C4CC4)CC3)cc2)cc1 36389615 JVLZGBYUKAOSPT-UHFFFAOYSA-N 436.512 2.440 0 40 IEAB Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 48355761 PASQBSXLCMZKMV-IIBYNOLFSA-N 442.539 2.402 0 40 IEAB O=C(NCc1ccco1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2F)CC1 56945845 TWIHWHHHDJHUCZ-FQEVSTJZSA-N 440.475 2.308 0 40 IEAB C[C@H](CNC(=O)CC[C@H]1CCCO1)OC(=O)C1CCN(C(=O)CC[C@@H]2CCCO2)CC1 95451359 VJTQQCNUOUQYAT-RLLQIKCJSA-N 438.565 2.191 0 40 IEAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)CCc2ccccc2)CC3)C1=O 96144446 OSODLOUFYHZRKF-RUZDIDTESA-N 440.588 2.464 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)C4CCC4)CC3)O2)cc1 96144715 VSLBWEBMFNQRBK-FQEVSTJZSA-N 438.528 2.225 0 40 IEAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(CCCc4ccccc4)CC3)C2=O)cc1 100215998 YCCVJUXTHYEAOU-JOCHJYFZSA-N 435.524 2.356 0 40 IEAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccc6c(c5)OCO6)no4)[C@H]3C2=O)cc1 101272247 IGPQBGKISNLPQO-ZWKOTPCHSA-N 432.396 2.267 0 40 IEAB COc1ccc(Cl)cc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 101388200 VUVKKZUXXQAZDA-SJORKVTESA-N 431.811 2.420 0 40 IEAB O=C(NS(=O)(=O)c1cccc(Br)c1)c1ccc(N2CCOCC2)cc1 257215856 CRYKVSFORZTZST-UHFFFAOYSA-N 425.304 2.404 0 40 IEAB Cc1nccn1C[C@@]1(O)CN(C)CCN(C(=O)c2ccnc(Oc3cccc(F)c3)c2)C1 257320407 VWQSUMNBQHMARK-QHCPKHFHSA-N 439.491 2.337 0 40 IEAB O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc(C(=O)N[C@H]2CCN(c3ccccn3)C2)o1 512684817 IFVIDUPTBOAYKX-ROUUACIJSA-N 446.511 2.087 0 40 IEAB COc1cc([C@@H](CC(=O)N[C@@H]2CN3CCC2CC3)c2oc(C)cc(=O)c2O)ccc1O 524730750 VZAONEAAWRGSAA-IAGOWNOFSA-N 428.485 2.100 0 40 IEAB biogenic O=C(NCCCn1ccnc1)C1=NO[C@@]2(CCCN(c3cc(C(F)(F)F)ncn3)C2)C1 585101266 SOVMEIRYLKANMO-SFHVURJKSA-N 437.426 2.014 0 40 IEAB COc1cccc(OC[C@@H](O)CN(C)Cc2ccc(OCCN3CCOCC3)cc2)c1 585271417 FQASGTIIDMMYGA-NRFANRHFSA-N 430.545 2.278 0 40 IEAB CC[C@@H]1Oc2ccc(S(=O)(=O)NC(=O)c3cn4cc(Cl)ccc4n3)cc2NC1=O 585280876 BAEMBRONKGXZDF-AWEZNQCLSA-N 434.861 2.216 0 40 IEAB CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)N1CCSCC1 8582608 QOTDCCJXIFWQLX-GOSISDBHSA-N 442.545 2.179 0 40 IEAB COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCOCC4)c(F)cc3c2=O)cc1 8596735 ZKTYYXIBASHXJF-UHFFFAOYSA-N 432.473 2.356 0 40 IEAB Cn1c(SCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)nnc1-c1ccncc1 9865484 OHEGCWNEEHZEND-UHFFFAOYSA-N 443.554 2.315 0 40 IEAB Cc1nn(C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 10086497 JWZXPDCFOOGDES-UHFFFAOYSA-N 445.372 2.419 0 40 IEAB COc1ccc(NC(=O)CN2CCC[C@@]3(CNC(=O)c4ccccc4O3)C2)c(OC)c1 12121602 JCFPTVIAQCMHJT-HSZRJFAPSA-N 425.485 2.299 0 40 IEAB CC[C@@H](C(=O)N1CCC[C@@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1)c1ccccc1 12158862 CHKNFKLLNGPWBQ-IAGOWNOFSA-N 427.530 2.428 0 40 IEAB CCOC(=O)COc1cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)ccc1OC 12413393 QMPBOAOQGFJBBC-UHFFFAOYSA-N 448.497 2.330 0 40 IEAB CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 12592759 JEUHNZXFWNYQCI-UHFFFAOYSA-N 445.541 2.061 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(N2CCCC2)cc1 12644979 DDWKSXLEFMPGIF-UHFFFAOYSA-N 446.548 2.371 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccsc3)CC2)cc1 13001859 UBSRDYVCLINVRK-FPYGCLRLSA-N 434.539 2.471 0 40 IEAB O=C(O)/C=C/C(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O 13121638 CSEXFXUVFPQNRI-JUONBAAVSA-N 441.267 2.274 0 40 IEAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 13128504 PFKNOMITCRWFJC-UHFFFAOYSA-N 433.530 2.119 0 40 IEAB CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 13572152 AEIZHXWFYSWLLE-CMCWBKRRSA-N 437.471 2.295 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5ccc(OC)cc5)C(=O)[C@H]24)O3)cc1 15894316 ZXPRRSWBQCPNJX-ILSIFQBBSA-N 434.492 2.349 0 40 IEAB biogenic O=C(CNC(=O)c1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 17360592 QDSRXIJPQJXYIO-UHFFFAOYSA-N 437.905 2.199 0 40 IEAB CCc1cc(=O)[nH]c([C@@H]2CCCN2C(=O)c2cccc(N3CCCCS3(=O)=O)c2)n1 19522546 TUTWYXQVEBKFEI-SFHVURJKSA-N 430.530 2.240 0 40 IEAB CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCN(C(=O)CN3CCCCC3)C2)n1 19694784 FNVPIIJIUFNAPI-LJQANCHMSA-N 436.560 2.110 0 40 IEAB Nc1ccc(C(=O)N2CC[C@@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)cn1 19702273 YAAGMBMZIRENRP-OAHLLOKOSA-N 437.525 2.376 0 40 IEAB CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](c2nc(CNC)cc(N(C)C)n2)C1 19709620 CTGUUCYQZZNPFQ-INIZCTEOSA-N 445.589 2.075 0 40 IEAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c1 20614210 ODAHRNKQOKWNEU-LJQANCHMSA-N 425.485 2.160 0 40 IEAB Cn1c(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)nnc1[C@H]1COc2ccccc2O1 21989598 NNGRRJUNULMNKY-MRXNPFEDSA-N 438.469 2.228 0 40 IEAB COc1ccc(N(CC(=O)N[C@@H](C)COc2ccccc2C)S(C)(=O)=O)c(OC)c1 22333615 JZQUMWIUUDLYNC-INIZCTEOSA-N 436.530 2.362 0 40 IEAB CCc1nn2c(=O)cc(COC(=O)[C@@H](NC(=O)c3ccccc3OC)C(C)C)nc2s1 22635662 QEXYTCXLJJYEKE-SFHVURJKSA-N 444.513 2.220 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCN(Cc2ccccc2)CC1 22926602 ZEIUVUHIQQUZSY-UHFFFAOYSA-N 430.574 2.002 0 40 IEAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 23011391 MBUGRCJIVPKOSS-UHFFFAOYSA-N 441.484 2.186 0 40 IEAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)CC1 24029996 RAAXVBIGUXFHHC-UHFFFAOYSA-N 428.489 2.015 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(OC)c(C)c2)c1 28209990 VPBSAIIYXSCLGP-QGZVFWFLSA-N 448.497 2.339 0 40 IEAB COc1cccc(C(=O)N2CCN(C(=O)c3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)CC2)c1 30041408 HQVYIIAKCLLLDN-HDICACEKSA-N 438.528 2.302 0 40 IEAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC(C(=O)N2CCCCC2)CC1 32820508 ZCDSXRRPERHDOQ-UHFFFAOYSA-N 438.528 2.187 0 40 IEAB C[C@@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@H]3[C@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@H]12 43746791 OACAZKAYRUIRND-FJFXXXFNSA-N 425.466 2.175 0 40 IEAB Cc1cc(C)n(-c2ccc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)cn2)n1 48235161 OJNCNXZOKQFPDE-HXUWFJFHSA-N 439.541 2.354 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 57945484 WSQLHEOAJALDPV-UHFFFAOYSA-N 439.493 2.168 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCCC[C@@H]3C)CC1)NC2=O 72327502 BWWVXQTZMWKGBK-PXAQALGRSA-N 429.517 2.316 0 40 IEAB COc1cc(CC(=O)N2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc(OC)c1OC 72394217 ZQDHRDYWBIBGLM-INIZCTEOSA-N 448.541 2.460 0 40 IEAB COCc1n[nH]c(-c2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2)n1 96116700 RQTFLQYTEDDSHD-KRWDZBQOSA-N 434.456 2.088 0 40 IEAB CC(=O)N1CCN(C(C)C)[C@H](c2nnc3ccc(C(=O)NCc4cccc(F)c4)cn23)C1 96268088 SDWLLUNLYLDELM-FQEVSTJZSA-N 438.507 2.412 0 40 IEAB Cc1nn(C)c(C)c1CNC(=O)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 96343991 MMOBJYJGLQFGIA-LBPRGKRZSA-N 445.321 2.345 0 40 IEAB COc1ccc(CCN2C(=O)[C@@H](CCC(=O)N[C@@H]3CCOC(C)(C)C3)N=C2O)cc1OC 101413873 HHICWVJKBOVZDE-IAGOWNOFSA-N 447.532 2.225 0 40 IEAB COc1ccc(-c2noc(COC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)cc1OC 102915563 CBRNDAJLZVUOCU-GASCZTMLSA-N 441.440 2.138 0 40 IEAB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OC 214671942 SAXNAPOUBSLBAP-NTEUORMPSA-N 426.878 2.252 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCc2nc(-c3ccccc3)no2)Oc2ccc(Cl)cc21 219397544 PCTCBDRMWQDGOM-INIZCTEOSA-N 448.888 2.233 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222516726 GBKUIMGSRPHNJL-UHFFFAOYSA-N 439.921 2.364 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222983804 FFWGSLAFQNUPPR-IBGZPJMESA-N 449.548 2.454 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccc(C)cc3O2)c1 223135823 NDIHNOYWYMWMFU-XOBRGWDASA-N 434.514 2.417 0 40 IEAB CCOc1ccc(-c2noc(CNC(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)n2)cc1 223435222 IODRISHYVLIFHV-LJQANCHMSA-N 444.513 2.384 0 40 IEAB CN(c1ccc(OCC(=O)NCC2(c3ccccc3)CCOCC2)cc1)S(C)(=O)=O 224415930 SGRMIMJROZJHPF-UHFFFAOYSA-N 432.542 2.326 0 40 IEAB Cc1ccc(CN(CC(=O)NCc2nc(-c3ccccc3C)no2)S(C)(=O)=O)cc1 225814249 PUZDUEFCFSJRGQ-UHFFFAOYSA-N 428.514 2.431 0 40 IEAB O=C(c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)CCc2ccncc2)C1)N1CCCCC1 257272193 NBJZHZIDFRIBHI-SFHVURJKSA-N 431.562 2.183 0 40 IEAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c1 408597577 VGNGNQBNIPLXST-INIZCTEOSA-N 432.498 2.316 0 40 IEAB CCc1ccccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1 408614412 BXXFKCJGHZXHKX-AEFFLSMTSA-N 439.512 2.116 0 40 IEAB CN1c2ccccc2N(C2CCN(CC(=O)NCc3ccc(F)cc3)CC2)S1(=O)=O 575414221 YPKXHBHCSSBZSP-UHFFFAOYSA-N 432.521 2.108 0 40 IEAB O=C1C[C@@H](c2ccc(NC(=O)c3sccc3S(=O)(=O)C(F)F)cc2)NC(=O)N1 1615610888 QDAKJHMVHIRIBL-JTQLQIEISA-N 429.426 2.267 0 40 IEAB COc1ccc(CNS(=O)(=O)c2ccc(C[C@@H]3SC(=O)NC3=O)cc2)cc1OC 1395209 LQSAHGZLGVXBKB-KRWDZBQOSA-N 436.511 2.076 0 40 IEAB COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NN4CCN(C)CC4)c3n2)c1 8435648 RQTWNNRECQRHCC-UHFFFAOYSA-N 434.422 2.316 0 40 IEAB Cc1cc(C)n2nc(SCC(=O)c3cc(C)n([C@H]4CCS(=O)(=O)C4)c3C)nc2n1 9245185 VCWUPMILSGCUQH-HNNXBMFYSA-N 433.559 2.494 0 40 IEAB COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 9667762 HQQOEOXMUAEVLK-UHFFFAOYSA-N 448.541 2.006 0 40 IEAB COc1ccccc1CCNC(=O)c1cn(C)c2c(=O)n(-c3ccc(F)cc3)c(=O)[nH]c12 9820293 SGVOXWPNUXFELF-UHFFFAOYSA-N 436.443 2.138 0 40 IEAB COC(=O)C1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CC1 10542086 HCIIOXZKBWOAJC-UHFFFAOYSA-N 434.489 2.433 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)CC1 11091214 AFVDBDDNEGFYOB-GOSISDBHSA-N 449.529 2.065 0 40 IEAB CCc1c(C)nc2cc([C@H]3CCCCN3C(=O)C3CCN(S(C)(=O)=O)CC3)nn2c1O 12161753 YFJQDDOJKHPQAQ-GOSISDBHSA-N 449.577 2.031 0 40 IEAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NC[C@H]1CCCO1 12233377 GYTRUJUUEBRDOT-HUUCEWRRSA-N 429.477 2.053 0 40 IEAB C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)NC1CC1 12557003 DDOCFKOZAGRODW-CYBMUJFWSA-N 446.481 2.083 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCC2)ccc1=O)Nc1cccc(C(F)(F)F)c1 12917773 UZKAIRUQWLDHME-UHFFFAOYSA-N 429.420 2.290 0 40 IEAB COc1ccc(Br)cc1CN(C)Cn1nc(CCC(N)=O)n(C)c1=S 14234447 XXJXBWBPWMGBLU-UHFFFAOYSA-N 428.356 2.230 0 40 IEAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(OC)cc4OC)[C@H]3C2=O)cc1 18067759 VCQJUXDAKRZTIZ-VQTJNVASSA-N 437.456 2.198 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3CCC[C@@H](C)[C@@H]3C)CC1)O2 19496668 SRDVQFBPUYEVML-XVTZWQNCSA-N 443.544 2.216 0 40 IEAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(=O)n2nc(CC)sc2n1 21700900 UCJNUPXLVOUUHL-UHFFFAOYSA-N 436.563 2.008 0 40 IEAB O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22664568 LCHNEJQCYOPTMA-GOSISDBHSA-N 440.475 2.187 0 40 IEAB O=C(CSc1nc(CC(=O)NC2CC2)cc(=O)[nH]1)Nc1ccc(OC(F)(F)F)cc1 23145237 OPMWKFLDPGVAAK-UHFFFAOYSA-N 442.419 2.220 0 40 IEAB CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)COc1ccc2c(c1)CCC(=O)N2 57991840 MVMSTJBWGGJXPH-GOSISDBHSA-N 431.533 2.216 0 40 IEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCOc3ccccc32)cc1 58005352 KGPILXVXUWZUDA-FQEVSTJZSA-N 448.541 2.224 0 40 IEAB COC(=O)[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccc(Br)cc1 58142129 YDUVTZBFCWDVKS-QGZVFWFLSA-N 434.290 2.325 0 40 IEAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCO[C@H](C(N)=O)C2)c(OC)c1 65174786 IOYKNBRPJZUAQA-NRFANRHFSA-N 437.496 2.497 0 40 IEAB C[C@H]1CCCN(C(=O)CN2N=C(c3nc(-c4ccc5c(c4)OCO5)no3)CCC2=O)C1 72329713 FNSQRJVKSPJNCK-ZDUSSCGKSA-N 425.445 2.050 0 40 IEAB CC(C)(C)C(=O)N1CCC(c2nnc([C@@H]3CCCCN3C(=O)CN3CCCC3=O)o2)CC1 72344871 KLCPBGILCWXQFL-KRWDZBQOSA-N 445.564 2.498 0 40 IEAB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CO)c1ccccc1 79019881 MEBKKBCPVDGIMB-IEBWSBKVSA-N 429.542 2.176 0 40 IEAB O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)N1CCC2(CCCCC2)CC1 95967357 LDWILWZGKMAZRT-UHFFFAOYSA-N 426.583 2.122 0 40 IEAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1 219271447 SWEFJZJOPQCUMZ-OAHLLOKOSA-N 448.526 2.374 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 223516987 RRNKBIFUCIQFOZ-SFHVURJKSA-N 431.558 2.314 0 40 IEAB CCOC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 225560312 WVVXMZXLHCLVGG-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB NC(=O)c1ccc2c(ccn2[C@@H]2CN(C(=O)CCCN3Cc4ccccc4C3)C[C@H]2O)c1 257204579 AVHFRNDGLRMGQD-DHIUTWEWSA-N 432.524 2.280 0 40 IEAB CSCC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575617672 QHRHLRZOZDROIC-SJORKVTESA-N 432.995 2.286 0 40 IEAB CN1CCN(CC(=O)N2CCC3(CCCCc4ccccc4OCCOC3=O)CC2)CC1 643570713 PEJQDEUDEZDAFN-UHFFFAOYSA-N 443.588 2.191 0 40 IEAB Cc1nc(NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)ccc1-c1cnn(C)c1 1544175142 BFJLNNMUDFHMHY-ZDUSSCGKSA-N 431.543 2.330 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n(C3CCN(C(=O)COc4ccc(F)cc4)CC3)n2)n1 1775970021 XPQAIDMRYWKELS-UHFFFAOYSA-N 425.464 2.427 0 40 IEAB COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCO)CC(=O)N32)c1OC 2156868 NTPDEYXVKIHSHI-WMZHIEFXSA-N 449.507 2.252 0 40 IEAB biogenic C[C@@H]1Sc2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)cc2NC1=O 9284565 FEPAZMSXDONJIM-ZDUSSCGKSA-N 447.538 2.393 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(F)cc2)c1 9807264 ODVLENFCZZTFOU-GOSISDBHSA-N 433.505 2.351 0 40 IEAB Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 10021930 JWCFGWOCSLPGGD-CYBMUJFWSA-N 429.454 2.481 0 40 IEAB Cc1cc(C)n(C[C@@H](C)C(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)n1 12085508 VVWNOMRKOVXKJG-VOIUYBSRSA-N 437.544 2.469 0 40 IEAB COc1cc2c(cc1CN1CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC1)OCO2 12089475 SCZXKVJNPLTWIV-NRFANRHFSA-N 431.514 2.366 0 40 IEAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1S(=O)(=O)N(C)C 12756724 STDWBMLCYSZMPU-UHFFFAOYSA-N 445.541 2.436 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)ccc21 12847235 SVTQMCWQNKEZCZ-SFHVURJKSA-N 427.526 2.500 0 40 IEAB Cc1nc(SCc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(N)=O)c(C)c1C 12973914 RKZLSGVMSJDHLU-UHFFFAOYSA-N 435.571 2.419 0 40 IEAB CC(C)(C)C(=O)N1CCC(c2nc(O)c3c(n2)CCN(C(=O)C2CCOCC2)C3)CC1 19081102 BVTKUNWQVGURGR-UHFFFAOYSA-N 430.549 2.246 0 40 IEAB Cc1cc(-c2cnc(N3CCCC3)nc2[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C)C3)C2)on1 19122033 MUEQHBCXWYMNBY-IAGOWNOFSA-N 438.532 2.225 0 40 IEAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(S(C)(=O)=O)CC3)cc1 19135427 ZKRTXBZGBOOQSW-SFHVURJKSA-N 430.530 2.176 0 40 IEAB O=C(C1CC1)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3cccs3)[nH]c2=O)C1 19343210 DCQPSFFCGAWBAG-GOSISDBHSA-N 426.542 2.422 0 40 IEAB NC(=O)c1ccc(-c2nccnc2[C@@H]2CN(CC(=O)Nc3ccccc3F)CCO2)cc1 19693258 ILIRIMKQMNBLBD-IBGZPJMESA-N 435.459 2.394 0 40 IEAB CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)COc1cccc(F)c1)C2 19708544 CAUGBLFBSBFYNW-MRXNPFEDSA-N 441.507 2.347 0 40 IEAB CNc1nc([C@H]2CCCN(CC(=O)Nc3ccc(F)cc3)C2)nc2c1CN(C(C)=O)CC2 19710525 YYDRJWHAOOSOSU-INIZCTEOSA-N 440.523 2.380 0 40 IEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(=O)n(CC(=O)NC2CCCCC2)c1 19749013 QVARUJKBFNTMII-HNNXBMFYSA-N 427.549 2.009 0 40 IEAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22805338 KYPJLQSPIXVHHW-SFTDATJTSA-N 431.533 2.310 0 40 IEAB COc1ccc(Cl)cc1C(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134512 KPCVSZYNJOXPMR-UHFFFAOYSA-N 430.871 2.421 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ncnc4cc5c(cc34)OCCO5)CC2)cc1OC 28556197 ZEVMSCXZKUKIKI-UHFFFAOYSA-N 436.468 2.381 0 40 IEAB CN(C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 32780645 TZRCPCXKBWEYGC-MAUKXSAKSA-N 445.566 2.216 0 40 IEAB O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36360500 LLAWKIRFHJFOGF-OAHLLOKOSA-N 429.498 2.168 0 40 IEAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 39975693 GJSZNUYLSGBNSK-UHFFFAOYSA-N 439.516 2.257 0 40 IEAB O=C(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CC(=O)N(C2CC2)C1 40087044 RFGZUQCMFYTTPL-MRXNPFEDSA-N 438.494 2.345 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C(C)C)cc1 40122299 AMQCJDLDDVTVQY-AZUAARDMSA-N 435.590 2.063 0 40 IEAB O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)N[C@H]1CCc2ccccc21 49421722 JCEJVRDKIVMVIW-SFHVURJKSA-N 427.457 2.019 0 40 IEAB CCOC(=O)c1sc(NC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1C 49550085 CYHUJQIMKAGIMK-UHFFFAOYSA-N 449.508 2.238 0 40 IEAB CC(C)Cn1c(N2CCN(Cc3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C 56952478 AUFAAHFQMZIDJI-UHFFFAOYSA-N 430.940 2.055 0 40 IEAB COc1ccc(S(=O)(=O)c2cnc(N3CCN(CC(C)C)CC3)nc2N)cc1Cl 71771625 SSTCJLSSPSZYRS-UHFFFAOYSA-N 439.969 2.332 0 40 IEAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)Cc1csc(C)n1)CC2 72372356 SUDSAVVEAJOHAH-SFHVURJKSA-N 428.562 2.484 0 40 IEAB COC(=O)C[C@@H](N)c1cc(I)c(O)c(I)c1 95780364 NCGDFOYDBUJFGL-MRVPVSSYSA-N 447.010 2.164 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)N3CCC(N4C(=O)CSC4=O)CC3)n(C)n2)c1 206980678 RIURYOPCCWEJOZ-UHFFFAOYSA-N 444.513 2.404 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](Oc2ccccc2F)C[C@H]1C(=O)OC 225353900 NGLAWUAVBWSJHM-AAEUAGOBSA-N 443.474 2.057 0 40 IEAB CNc1nc([C@H]2CCN(S(=O)(=O)c3cc(C)c(OC)cc3C)C2)nc2c1CN(C)CC2 257245884 IRMPBSLXQDPBOK-INIZCTEOSA-N 445.589 2.310 0 40 IEAB COc1ccc(CN2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1CO 257259871 LAJYAQLXGXOJKU-JOCHJYFZSA-N 434.920 2.366 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](c2ncncc2-c2ccnc(N)c2)C1 257319916 VUOZLKDCBRUOSI-AWEZNQCLSA-N 429.477 2.447 0 40 IEAB C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)N[C@@H]1CCC[C@@H]2N3C(=O)CNC(=O)c1cncc(O)c1 257339179 ZAMUSCRAOMXNAS-YLYPHGCXSA-N 434.540 2.260 0 40 IEAB COC(=O)COc1c(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cccc1OC 408532159 NKLKZLYZLIOMML-LFIBNONCSA-N 448.497 2.296 0 40 IEAB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2Cl)C1)Nc1ccc(F)cc1 408664336 ZJRHRTXXHVMSQE-GFCCVEGCSA-N 433.823 2.154 0 40 IEAB O=C(NCc1nc(C2CCSCC2)no1)c1ccc(S(=O)(=O)N2CCCC2)cc1 575617817 RIQJYUGDRQRSIX-UHFFFAOYSA-N 436.559 2.395 0 40 IEAB COc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3c4ccccc4C(=O)[C@@H]32)c(OC)c1 822819 SUALZYVDSIGTIG-QZTJIDSGSA-N 431.448 2.180 0 40 IEAB CS(=O)(=O)CC[C@H](C(=O)Oc1cccc2cccnc12)N1C(=O)c2ccccc2C1=O 2252972 QGHFPIFAGBKANL-QGZVFWFLSA-N 438.461 2.240 0 40 IEAB CC(C)C[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N 6190444 QTLGYMZAXLPWFS-CYBMUJFWSA-N 435.550 2.389 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1 6408138 NBIGFUNEDKNPEC-UHFFFAOYSA-N 444.509 2.181 0 40 IEAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1 8595633 YVYRWEZCEIMWHE-HNNXBMFYSA-N 446.554 2.417 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N1CCc3ccccc3C1)c(=O)n2Cc1ccccc1 8710151 JPSNPLAJQWVBGP-UHFFFAOYSA-N 443.507 2.013 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NCCCn2nc(-c3ccccc3)ccc2=O)c1 11738469 SNFICLQCYIZCMX-UHFFFAOYSA-N 429.498 2.296 0 40 IEAB COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C 12231859 SSJLKIMQBOGTGK-UHFFFAOYSA-N 442.907 2.047 0 40 IEAB Cc1nc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)sc1-c1nccn1C(F)F 12520670 ATHXJSIWRZLIRI-UHFFFAOYSA-N 432.412 2.352 0 40 IEAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 12715164 XANMUTBUDJZLOM-LBPRGKRZSA-N 447.536 2.443 0 40 IEAB C[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CCO1 12760230 DOUFLOUPDXMCBD-NWDGAFQWSA-N 437.381 2.159 0 40 IEAB Cc1cc(C(=O)CN(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1[C@H]1CCS(=O)(=O)C1 12878944 VSUDVVGZWIKRRX-INIZCTEOSA-N 442.541 2.016 0 40 IEAB NC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)sc2c1CCCC2 13778649 QACKRQHUDPZNHF-GFCCVEGCSA-N 441.509 2.489 0 40 IEAB COc1cn(CC(=O)Nc2cccc3ccccc23)c(CSc2nnnn2C)cc1=O 15883872 ISLXPBKHELDUPN-UHFFFAOYSA-N 436.497 2.465 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccnn3C(C)C)CC2)c(C)c1 16514841 YBEJHGSYHKVCSA-GOSISDBHSA-N 433.578 2.414 0 40 IEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1 16695737 SFFAWEQMURFLFN-UHFFFAOYSA-N 436.559 2.238 0 40 IEAB NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)COc2ccccc2)CCO1 19373473 YOGOBIWFJCXSFW-RUZDIDTESA-N 431.492 2.453 0 40 IEAB O=C(c1cccnc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccccn3)[nH]c2=O)C1 19400093 AJZFLMRIZNFUMR-FQEVSTJZSA-N 444.495 2.126 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccn1)CCC2 19706217 AWTHNKKQWZGFGE-NRFANRHFSA-N 436.560 2.365 0 40 IEAB CC(=O)N1CCC[C@H]1c1nc(CN(C)S(=O)(=O)c2ccc(C)c(F)c2)cc(N(C)C)n1 19709797 WCGDLVIDCRXFOI-IBGZPJMESA-N 449.552 2.494 0 40 IEAB COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)cc1C 19744199 BJGKFSWSLDPSHS-INIZCTEOSA-N 430.530 2.455 0 40 IEAB CCN(CC(=O)Nc1ccc(C(N)=O)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930231 QXUQQJCGKXHYBX-UHFFFAOYSA-N 425.894 2.097 0 40 IEAB Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1 19939283 KEXOZWALEOPIGE-UHFFFAOYSA-N 444.539 2.471 0 40 IEAB O=C(CN1CCN(C(=O)c2cnc(S)n2-c2ccccc2)CC1)NCc1ccccc1 22285647 INMFCSUYANZTMR-UHFFFAOYSA-N 435.553 2.235 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2ccn(-c3ccccc3OCC)c(=O)c2=O)cc1 22724413 XZYUDEDPXQXBKP-UHFFFAOYSA-N 437.452 2.213 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC[C@@H]4CCCC[C@H]43)c2)CC1 23684654 IGHNHSGBUIVHDM-GHTZIAJQSA-N 433.574 2.334 0 40 IEAB CCN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCCN12 26771808 KYYGTNDHBWVTCN-DNBVQBCISA-N 445.475 2.261 0 40 IEAB biogenic CCOC(=O)Cc1csc(NC(=O)COC(=O)c2ccc(Cn3nc(C)cc3C)o2)n1 28562306 QVWQGAOZZLZQMF-UHFFFAOYSA-N 446.485 2.499 0 40 IEAB COc1cc(N2C[C@@H](C(=O)NCCCN3CCC(C)CC3)CC2=O)cc(OC)c1OC 30565178 PTZFAJQUHFCYAG-KRWDZBQOSA-N 433.549 2.304 0 40 IEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1)N1CCCC1 35311641 BOSYJYHFFSKHBA-UHFFFAOYSA-N 449.598 2.325 0 40 IEAB COc1ccc(NC(=O)Cn2nc3c4cc(-c5ccc(OC)cc5)nn4ccn3c2=O)cc1 38487406 WMMBZMCYUVVTGO-UHFFFAOYSA-N 444.451 2.467 0 40 IEAB COCc1nn2c(nnc3c(=O)n(-n4c(C)nnc4C)ccc32)c1-c1ccc(Cl)cc1 40396145 ICGDNUSMGWDBMM-UHFFFAOYSA-N 436.863 2.426 0 40 IEAB NC(=O)C1CCN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CC1 65566532 FATCIOVRFIYDBV-UHFFFAOYSA-N 430.349 2.459 0 40 IEAB C[C@@H](CC(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)n1nnc2ccccc21 72325744 DGOGOBZLNLGZNX-HNNXBMFYSA-N 440.529 2.105 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1 96121931 XAYQNXKZTBMFMC-UHFFFAOYSA-N 440.587 2.043 0 40 IEAB O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)NCCSc1ccccc1 96223211 JOOLDPFSIHWAQI-INIZCTEOSA-N 427.482 2.134 0 40 IEAB COc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3cccc(F)c3)S(C)(=O)=O)n2)c1 220490996 LQHZGARIXPMTLV-ZDUSSCGKSA-N 448.476 2.355 0 40 IEAB COc1ccc(CCCNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 224691410 SAPHIMAKWFUOHR-UHFFFAOYSA-N 432.498 2.268 0 40 IEAB C[C@@]12C=C[C@@]3(O1)[C@H](C(=O)N(C1CC1)[C@H]3C(=O)NC1CCCC1)[C@@H]2C(=O)NCc1ccccc1 245229569 BECBFNRVEMJVFB-WJTOECGUSA-N 449.551 2.065 0 40 IEAB COCCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3O2)CC1 253595941 LGYOZQTWGYVOCF-DDDCRWRYSA-N 427.545 2.122 0 40 IEAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 408692989 AJTUQUUFOJXEPX-UHFFFAOYSA-N 448.497 2.145 0 40 IEAB CNC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cccc(Oc2ncccn2)c1 585261752 GKOFANALOQCNCY-NRFANRHFSA-N 431.496 2.342 0 40 IEAB O=C(Cn1ccccc1=O)N1CC[C@@]2(CCc3nc(-c4ccccc4)cc(=O)n3CC2)C1 1565555398 GXBRFZUBVJUGLG-RUZDIDTESA-N 430.508 2.327 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888918224 CWBYFIXQKSVPBB-KDURUIRLSA-N 438.557 2.251 0 40 IEAB COc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C)cc2C)cc(OC)c1OC 1778980 MVPLNISHSHSQNN-UHFFFAOYSA-N 430.457 2.241 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 8816417 KIVSNSPWVBYELV-LPHOPBHVSA-N 449.573 2.264 0 40 IEAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)NC(=O)Cc2ccccc2)cc1 9465118 VDCSRVOSFLSMPI-INIZCTEOSA-N 428.510 2.484 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cc2ccccc2o1 9569920 XJOZBWWTXNUOIZ-UHFFFAOYSA-N 431.489 2.454 0 40 IEAB CCOc1ccc(NC(=O)Cn2nnc(S(=O)(=O)c3ccc(C)c(C)c3)c2N)cc1 9611216 OSHFYKZQXWSDJM-UHFFFAOYSA-N 429.502 2.347 0 40 IEAB CCOc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1S(=O)(=O)N1CCCC1 9764928 NFTNAVPMKSAFHB-UHFFFAOYSA-N 442.501 2.098 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2ccccc2F)c1 9807254 CYBXFBDIIFZLOF-INIZCTEOSA-N 433.505 2.351 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(O)c(OC)c2)n2nnnc2N1 10231960 DTBLUFZKEFXSLD-KRWDZBQOSA-N 441.831 2.366 0 40 IEAB CC(=O)[C@@H](C)N1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C 10363231 PGPFXUJNAOLCLR-JKSUJKDBSA-N 436.516 2.296 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(Cl)c2)C1=O 12006042 DGGDMXRYKJNDLH-NSHDSACASA-N 436.873 2.311 0 40 IEAB O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc(Cl)cc1 12080696 PYVCVYFDSXGCJQ-KRWDZBQOSA-N 436.295 2.225 0 40 IEAB CCN(CC)CCN1C(=O)[C@@H]2CN(C(=O)C(C)(C)C)C[C@]2(C)NC(=O)c2ccccc21 12231905 SVZJCUBSSVUYOP-UUOWRZLLSA-N 428.577 2.368 0 40 IEAB COc1ccc2c(C)c(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1 12607206 PHZANVWJQNQTJK-UHFFFAOYSA-N 444.509 2.049 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1Cl 13567104 XAYHBRQVRJQCAH-CABCVRRESA-N 430.954 2.435 0 40 IEAB Cc1nn(C)c(Cl)c1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl 14364399 LWJJWSMJXLAZAD-UHFFFAOYSA-N 449.316 2.081 0 40 IEAB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(I)c(O)c(OC)c1 15015934 JOKOJTYPACVODV-LBPRGKRZSA-N 432.214 2.149 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)c2ccc(CCNC(C)=O)s2)cc1 16550008 HQWJSYBTCBVIDX-UHFFFAOYSA-N 431.543 2.445 0 40 IEAB CC[C@H](C)N(C(=O)COc1ccc(Br)cc1C=O)[C@H]1CCS(=O)(=O)C1 18186658 IQMNHOPLSIPFMC-WFASDCNBSA-N 432.336 2.455 0 40 IEAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)Cn2cncn2)C1 19449312 RQYZXFVRIFDJDE-XMMPIXPASA-N 432.528 2.326 0 40 IEAB COc1ccc(-c2nc(C3CCN(C(=O)[C@H](C)Cn4cccn4)CC3)[nH]c2C(N)=O)cc1 19696940 LPAYTAQJCALSOD-OAHLLOKOSA-N 436.516 2.423 0 40 IEAB CCc1nccn1[C@@H](C)C(=O)N1CCC(c2ccc(C(=O)N3CCN(C)CC3)cn2)CC1 19708416 MLSVCXIPODOEBG-SFHVURJKSA-N 438.576 2.195 0 40 IEAB COc1ccc([C@@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1OC 20110570 CSVKTIDYMDCJLA-CQSZACIVSA-N 439.509 2.333 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCN(C(C)C)CC3)CC2)cc1 21903888 RUZXLZIAJFWVHX-UHFFFAOYSA-N 437.606 2.475 0 40 IEAB CCc1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc1 22908821 BMKFSRYXSAQHHD-UHFFFAOYSA-N 442.585 2.357 0 40 IEAB COc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 23654058 AKPWVTIXCIGAKY-PEBXRYMYSA-N 431.489 2.314 0 40 IEAB COc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2nccn2C)cc1 24773340 HBFWQIIHKFZFFH-OPAMFIHVSA-N 448.479 2.416 0 40 IEAB C[C@H]1CN(C(C)(C)CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)C[C@@H](C)O1 25408634 RBNAGCLKMWTDGH-IYBDPMFKSA-N 431.624 2.153 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c1 32764979 JBNQTDLJSFCIQJ-UHFFFAOYSA-N 435.933 2.494 0 40 IEAB Cc1noc(C2CCN([C@@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)C)cc3)CC2)n1 40156390 DUXOVCLWSPRMEX-AWEZNQCLSA-N 435.550 2.271 0 40 IEAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c32)cc1 40388813 SJLQWVWHOZQIBB-BBRMVZONSA-N 425.489 2.469 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 69534424 WVLKTIKCHPLZLX-VMPITWQZSA-N 427.570 2.385 0 40 IEAB COc1ccc(CN2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccc(OC)cc4C(=O)N3)C2)cc1 72334373 OKGUFXVLKNOPJH-RDGATRHJSA-N 437.540 2.339 0 40 IEAB CCc1nccn1[C@H](C)C(=O)N1CCC(c2ccc(C(=O)N3CCOCC3)cn2)CC1 72374426 DNULDGDOOLDWHD-QGZVFWFLSA-N 425.533 2.280 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCCCN2CCCc3ccccc32)Oc2ccccc21 219271781 ZSTGEPQEWWFRMK-OAQYLSRUSA-N 429.542 2.173 0 40 IEAB CN1CCN(c2ccc(NC(=O)CCCN(C)S(=O)(=O)c3ccccc3)cc2)CC1 219730082 RQPKANJBABXBNX-UHFFFAOYSA-N 430.574 2.478 0 40 IEAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 224658685 PASFWKXLLWMSPM-YSIASYRMSA-N 425.529 2.271 0 40 IEAB CN(C[C@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)CCCNc1ncccn1 257250342 JMDGELBKFXUJBY-HSZRJFAPSA-N 435.532 2.102 0 40 IEAB Cn1ccc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CCOCC3)C2)n1 257314986 UZKVZRGSWBDXRQ-JXFKEZNVSA-N 446.935 2.232 0 40 IEAB CCOc1ccc(N([C@H](C)C(=O)NCCOc2ccc(OC)cc2)S(C)(=O)=O)cc1 260790335 ASLKWWUMHFEFQT-MRXNPFEDSA-N 436.530 2.444 0 40 IEAB CN1CCN(c2ncccn2)C[C@H]1c1nnc2ccc(C(=O)NCCc3cccs3)cn12 306123064 ADUDSSAVZQJPAL-SFHVURJKSA-N 448.556 2.046 0 40 IEAB CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 520424464 KMWMYQVYFGPYBL-GOSISDBHSA-N 425.485 2.406 0 40 IEAB COCc1ccc(C(=O)NC[C@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)cc1 1565556317 RLHLLAMQFDXITO-HXUWFJFHSA-N 448.523 2.368 0 40 IEAB Cc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccccc2C)cc1 850883 FGRAEEHAXXCDCT-SFHVURJKSA-N 449.511 2.092 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc(-c3ccncc3)no2)CC1 1359346 JLBKAGDCYNQEJL-UHFFFAOYSA-N 428.470 2.471 0 40 IEAB CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1 1363883 LNCPRLKELKBIKL-QGZVFWFLSA-N 440.529 2.264 0 40 IEAB O=C1NC(=O)[C@@H](Cc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)cc2)S1 1396315 XFOWKFXLTXOMFP-GOSISDBHSA-N 431.539 2.092 0 40 IEAB COC(=O)C1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C(C)(C)C)cc3)C2=O)CC1 8947062 AXPVKYCESHMRIQ-HSZRJFAPSA-N 429.517 2.163 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)cc1 8971799 CBPOOYULSIEABU-LEYSOZLDSA-N 441.459 2.147 0 40 IEAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(=O)N2CCC(C(N)=O)CC2)cc1 9301765 IQXCJMGZBMEBLL-HNNXBMFYSA-N 428.514 2.158 0 40 IEAB C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O 9762623 FPCWDOBPEWOEPW-XMMPIXPASA-N 434.496 2.389 0 40 IEAB CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9902338 JUUHDSHPTVSTKJ-NRFANRHFSA-N 439.537 2.286 0 40 IEAB COc1ccc(Cl)cc1N([C@H](C)C(=O)NCCCN1CCCCC1)S(C)(=O)=O 10279266 JWXSIJAWHUBWFW-OAHLLOKOSA-N 431.986 2.495 0 40 IEAB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)NCc1ccco1 10587586 GXMGDUAWMUEHBT-FQEVSTJZSA-N 449.463 2.190 0 40 IEAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21)NCCCn1ccnc1 12233022 ZAGQCUWEWOLPAQ-MRXNPFEDSA-N 435.513 2.022 0 40 IEAB COc1cc2cc(C(=O)NCC(=O)Nc3ccc4c(c3)OCO4)[nH]c2c(OC)c1OC 12408808 KULPHVKKIWQURA-UHFFFAOYSA-N 427.413 2.291 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)cc1 12622963 AHTQLEYVQDTFMK-FQEVSTJZSA-N 449.573 2.422 0 40 IEAB COc1ccc(Cn2nnnc2S[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 13128182 WZPJPGCXAMSJET-LJQANCHMSA-N 425.514 2.422 0 40 IEAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 13690898 MKTKLCLKUIBEIR-CTNGQTDRSA-N 428.554 2.263 0 40 IEAB O=c1c2c(nc3sc(SCCN4CCOCC4)nn13)CCN(Cc1ccccc1)C2 15414200 QCGMYCOYBIJHJA-UHFFFAOYSA-N 443.598 2.134 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1OC 16959864 AHQQIESOAKXZRR-UHFFFAOYSA-N 430.526 2.450 0 40 IEAB COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3cccc(F)c3)n2N)CC1 19011292 IUNXCHVDSLXGED-UHFFFAOYSA-N 442.520 2.248 0 40 IEAB CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)COc3ccccc3)[C@@]21C 19450055 MRCNVAROTZMAMS-DCLXLUIPSA-N 434.496 2.315 0 40 IEAB CCN(CC)C(=O)CN1CCO[C@@H](c2nc(N(C)C)ncc2-c2ccc(OC)cc2)C1 19694908 LUQVANKOALXOIX-HXUWFJFHSA-N 427.549 2.460 0 40 IEAB Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 19766721 RXDYAINVOIZQRN-IBGZPJMESA-N 427.480 2.172 0 40 IEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCN2C(=O)c2cnn(C)c2)cc1 19767269 QCLNDYZOCZOVPB-FQEVSTJZSA-N 434.500 2.434 0 40 IEAB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O 23654270 VOPHHQJBZRMAII-UHFFFAOYSA-N 438.278 2.104 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12)c1ccccc1 25106769 NICGCBKJLRXPIT-JOCHJYFZSA-N 443.551 2.414 0 40 IEAB biogenic CC(C)CN(C(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)[C@H]1CCS(=O)(=O)C1 27333179 RLVGBLBYFIKSQO-NSHDSACASA-N 447.340 2.261 0 40 IEAB C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)NC1CCN(Cc2ccccc2)CC1 27944147 QGPRDZZTAPXWPR-LPHOPBHVSA-N 430.578 2.114 0 40 IEAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCSCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 32074200 SXLFKCMSMUHIIZ-CTNGQTDRSA-N 437.565 2.342 0 40 IEAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 36387049 UQUOXYXWSFVZRD-INIZCTEOSA-N 438.553 2.479 0 40 IEAB C[C@H](C(=O)NCCOc1cc(N2CCCCC2)ncn1)n1nc(-c2ccccc2)ccc1=O 42380953 ZLRSZZSIWXWUCM-GOSISDBHSA-N 448.527 2.447 0 40 IEAB CC1CCN(CCCNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 44914122 NDXGZESKHFOYQP-SFHVURJKSA-N 429.970 2.105 0 40 IEAB Cc1cccc(OCCNC(=O)[C@@H](C)N2CCN(Cc3nnc4n3CCCCC4)CC2)c1 48260563 FKVIXUPPGXJCSE-HXUWFJFHSA-N 440.592 2.014 0 40 IEAB COc1cccc(CNC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3sccc32)c1OC 57486084 KKCNCRPSTNEHMV-UHFFFAOYSA-N 431.514 2.214 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c4c(nn3C)CSC4)CC2)cc1 61719865 GECCDPPIYQKTOE-UHFFFAOYSA-N 436.559 2.215 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1Br 72297074 IWBAYEZVLPOHQB-JQWIXIFHSA-N 443.367 2.344 0 40 IEAB C[C@@H](C(=O)N[C@H](C)CCc1ccco1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326381 IIZWWZFAVZCAPH-SYJLOODJSA-N 439.516 2.065 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)n2)cc1OC 80329528 USWDBAFEFVLAJK-UZUQRXQVSA-N 427.501 2.081 0 40 IEAB Cc1noc(C)c1CSc1ccccc1C(=O)N(C)C[C@@H](O)CN1CCN(C)CC1 95406740 YEBUPBOICGKWBW-GOSISDBHSA-N 432.590 2.264 0 40 IEAB CCOC(=O)N1CCc2nn(CC(=O)Nc3cc(C)c(Cl)cc3OC)c(=O)cc2C1 96105737 VXCQCKLNDPUYQC-UHFFFAOYSA-N 434.880 2.367 0 40 IEAB COc1ccc(NC(=O)[C@@H]2Cn3ccnc3C3(CCN(C(=O)NC(C)C)CC3)O2)cc1 96263239 VPSIBRASVVOJBW-SFHVURJKSA-N 427.505 2.338 0 40 IEAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1OC 113936439 IQDSZDGMVYRSAU-UHFFFAOYSA-N 447.557 2.353 0 40 IEAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)CC 218202636 CPVAVWVYPROGSY-ZIAGYGMSSA-N 433.320 2.462 0 40 IEAB O=C1N[C@]2(C[C@H]3CC[C@H]2C[C@@H]3C(=O)N2CCN(c3ncccn3)CC2)Oc2ccccc21 247955025 UYHFJLMGIQWKSW-NXVXYNHZSA-N 433.512 2.080 0 40 IEAB C[C@H](NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)[C@@H]1C[C@H]2CC[C@H]1C2 248376797 DQNNAAADSOMJLZ-QARGURGNSA-N 425.529 2.459 0 40 IEAB O=C1CN(C(=O)CN2CC[C@@]3(CCCN3Cc3ccccc3)[C@@H](O)C2)c2ccccc2N1 257218891 DESVXEFBIKCTIT-DHLKQENFSA-N 434.540 2.073 0 40 IEAB Cc1n[nH]c(C)c1CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3oc(=O)n(C)c3c2)C1 257289368 PYHIQLFRKMPIMQ-QFIPXVFZSA-N 425.489 2.030 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)cc1OC 408554911 VMQIEPOCBSMOCL-SFHVURJKSA-N 432.542 2.463 0 40 IEAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Br)c(Cl)c3)C(=O)[C@@H]12 409306686 PVMQRPXITQJEDE-UMPJEAMMSA-N 426.650 2.479 0 40 IEAB C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1nc2ccccc2s1 1146987509 VSAXUAOYLHLFFM-LRDDRELGSA-N 428.489 2.216 0 40 IEAB COc1ncc(CN2CCO[C@]3(CO[C@H](C(=O)NCc4ccc(C)cc4)C3)C2)cc1C 2056226233 NMQMUVKGHUSHSK-URXFXBBRSA-N 425.529 2.383 0 40 IEAB COc1cccc(N(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1 6074353 QTGFTHORKHCLKQ-UHFFFAOYSA-N 440.479 2.436 0 40 IEAB NC(=O)c1c(NC(=O)CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)sc2c1CCC2 8918781 ABUBOCSHCMYIBJ-UHFFFAOYSA-N 439.541 2.254 0 40 IEAB NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1 9125435 DABWTPTVLVRPMD-UHFFFAOYSA-N 443.554 2.296 0 40 IEAB Cc1[nH]c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc1Cc1ccccc1 9130028 DLRANHWVALVYGE-UHFFFAOYSA-N 444.582 2.407 0 40 IEAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)N1CCCCCC1 9134704 JUGIQJSUZVVTFC-INIZCTEOSA-N 439.553 2.134 0 40 IEAB COc1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1OC 9568788 POLCXCSXXZMPBR-INIZCTEOSA-N 441.484 2.122 0 40 IEAB CCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cc(OC)c(OC)c(OC)c2)n1 9660362 DJYVRPQBWMCDAP-UHFFFAOYSA-N 427.461 2.495 0 40 IEAB Cc1cn2c3c(=O)n(Cc4ccc(Cl)cc4Cl)c(=O)n(C)c3nc2n1CCCO 10103687 BTIAHSNRPDNCPB-UHFFFAOYSA-N 436.299 2.195 0 40 IEAB O=C(NCc1ccccc1)C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2 10219932 HQYZUAYNDCBNFJ-UHFFFAOYSA-N 444.900 2.209 0 40 IEAB CCOC(=O)CCn1c(=O)c2c(nc3n([C@H](C)c4ccccc4)c(C)c(C)n23)n(C)c1=O 10233701 XTGJABIPTLWOQU-MRXNPFEDSA-N 437.500 2.329 0 40 IEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2)n1 10342401 ULMSPQOKQZCZAI-UHFFFAOYSA-N 439.497 2.344 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccnn2C2CCCCC2)c1 13112629 HZMMKGTXRZPLOQ-UHFFFAOYSA-N 435.550 2.219 0 40 IEAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2cccn2C)cc1S(=O)(=O)N1CCOCC1 14201392 OGAZGBJVTJKDGE-HXUWFJFHSA-N 446.573 2.130 0 40 IEAB O=C(Cc1ccc(F)cc1)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 19369381 AXUUOIVJLCKTJY-NRFANRHFSA-N 436.487 2.388 0 40 IEAB C[C@H]1Cc2cc(C(=O)N3CC[C@@H](c4nc5c(c(=O)[nH]4)CCN(C(=O)C4CC4)C5)C3)ccc2O1 19497904 DOWVPUWNIWEIMQ-WMLDXEAASA-N 448.523 2.018 0 40 IEAB COCC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]c(=O)c2C1 19592904 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CC(C)(C)OC(=O)COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 28220586 BVPOEYYTUXJTDD-UHFFFAOYSA-N 443.518 2.181 0 40 IEAB O=C(C[C@H]1C(=O)N(CCN2CCOCC2)c2nc3ccccc3n21)Nc1cccc(F)c1 30937558 UOVBYZJXVRZDSK-FQEVSTJZSA-N 437.475 2.424 0 40 IEAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 36664285 ZCWYYZLZGHINIJ-FPOVZHCZSA-N 431.533 2.370 0 40 IEAB C[C@]1(c2cccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)c2)NC(=O)NC1=O 40111080 SOVNUJNYGOOOBF-OAQYLSRUSA-N 426.498 2.294 0 40 IEAB O=C(Cn1nc(N2CCSCC2)c2ccccc2c1=O)Nc1ccc2c(c1)OCCO2 49007236 ZRTIGPYHHUYUDI-UHFFFAOYSA-N 438.509 2.360 0 40 IEAB COc1cccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3cc(F)cc(F)c3)n2)c1 49421725 ONWDMDYBYFORDD-UHFFFAOYSA-N 435.408 2.002 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)Nc1cc(N2CCCS2(=O)=O)ccc1C 49504094 XTJLBIJUAAKZCL-UHFFFAOYSA-N 430.529 2.184 0 40 IEAB COc1cc2nc3n(c(=O)c2cc1OC)CCN(C(=O)CC[C@@H]1CCCCC1=O)CC3 72340091 OZBARXZNXVBCEV-HNNXBMFYSA-N 427.501 2.338 0 40 IEAB Cc1noc(CCC(=O)N2CCC(c3ccc(C(=O)NC[C@H]4CCCO4)cn3)CC2)n1 72374428 ZTRGLXOAQSHUHE-GOSISDBHSA-N 427.505 2.021 0 40 IEAB CN(C)C[C@@H]1COc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc[nH]n1 72394870 FGWUJSJSTFQNAD-IFMALSPDSA-N 447.539 2.102 0 40 IEAB CCN1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1 95483544 KWJPBHNYJALXFU-CQSZACIVSA-N 445.155 2.481 0 40 IEAB CC[C@H](C)C(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)C1 100234551 YZOGPDJYYXDKDB-GOEBONIOSA-N 425.533 2.482 0 40 IEAB COc1cc(C(=O)/N=c2\sc3cc(S(C)(=O)=O)ccc3n2C)cc(OC)c1OC 100859730 HEMBTICMFNSNTM-VXPUYCOJSA-N 436.511 2.410 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1C 102398966 HOQKEFMTUNRLQE-QZTJIDSGSA-N 447.557 2.305 0 40 IEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 103100799 XOTDPQVZEWJYPP-HUUCEWRRSA-N 428.514 2.247 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(SCc3ccccc3)s2)C1 222551481 QQSQGXAVLTYBDL-CQSZACIVSA-N 441.604 2.287 0 40 IEAB CCCc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 223990932 HRIWTPSNOQWGGY-UHFFFAOYSA-N 448.541 2.372 0 40 IEAB C[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cccc(F)c1)S(C)(=O)=O 224746143 RRAAGSGONBEBIH-KRWDZBQOSA-N 449.548 2.129 0 40 IEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1 225301407 ZBQZIWYNYVQKCS-UHFFFAOYSA-N 448.614 2.420 0 40 IEAB CS(=O)(=O)NC[C@@H]1CC[C@]2(COCCN(Cc3ccc(C(F)(F)F)c(F)c3)C2)O1 306130538 JJABQMWCBJBCFC-YOEHRIQHSA-N 440.459 2.144 0 40 IEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 408605185 MWSRQYDGSSZWPA-SFHVURJKSA-N 431.558 2.328 0 40 IEAB CN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)C1=O 409194129 ODUNUPJIDPKVGM-RUDMXATFSA-N 434.040 2.198 0 40 IEAB CN(C)S(=O)(=O)N1CCC(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 618257552 ZRTBGCKXGKNVMM-UHFFFAOYSA-N 436.500 2.214 0 40 IEAB COc1cc(C(=O)N2CCO[C@@]3(C2)C(=O)N(Cc2cccnc2)C[C@H]3c2ccccc2)on1 2055793359 SWZYTJKPBOSUTE-YADARESESA-N 448.479 2.116 0 40 IEAB COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1 1372746 KBYAPXGCKPLOCQ-UHFFFAOYSA-N 430.428 2.030 0 40 IEAB Cc1c(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 9183885 QMTAUOMKFOPLDT-HNNXBMFYSA-N 433.526 2.393 0 40 IEAB CCN1CCN(CC(=O)N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccc(C)cc2)C(=O)C1=O 9599695 LWJGTMFKONSPIR-QFIPXVFZSA-N 448.523 2.372 0 40 IEAB O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 12627688 DRNVFUTZRWOCDX-OAHLLOKOSA-N 430.505 2.462 0 40 IEAB O=c1[nH]c(CN2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccc(Cl)cc12 12769271 IECARGMLLFXYBB-UHFFFAOYSA-N 436.896 2.222 0 40 IEAB CCCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2C1=O 12885792 ZWSXXBSNYLLQAU-CYBMUJFWSA-N 437.452 2.366 0 40 IEAB C[C@H](OC(=O)Cc1nn(C)c(=O)c2ccccc12)C(=O)N1c2ccccc2NC(=O)C1(C)C 12925177 RZBRDPQNDCNIKB-AWEZNQCLSA-N 448.479 2.172 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCOCC2)C1 13082932 LPMXAIUIVUOVMN-CALCHBBNSA-N 430.574 2.492 0 40 IEAB O=C(O)[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(n1ncc(N2CCC4(CC2)OCCO4)c(Cl)c1=O)C3 13135627 HYXRIRSXTMQTLI-QDQDOBPPSA-N 449.935 2.476 0 40 IEAB CCOC(=O)N1CCN(S(=O)(=O)CCCOc2cccc3c2OC(C)(C)C3)CC1 13521287 HTDMTUHCQWYIIZ-UHFFFAOYSA-N 426.535 2.273 0 40 IEAB O=S(=O)(c1ccn(S(=O)(=O)c2ccccc2)c1)N1CCN(Cc2ccccc2)CC1 13585788 CQBINGSPCDNNFK-UHFFFAOYSA-N 445.566 2.232 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H](CC)N(c2cccc(Cl)c2)S(C)(=O)=O)CC1 13712125 YZLJTTGOPJWRQX-INIZCTEOSA-N 431.942 2.185 0 40 IEAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)c12 15956356 PCLMWTXWWBFTFY-JOCHJYFZSA-N 446.500 2.164 0 40 IEAB biogenic Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(C)c1 17960533 KQBZKERRVBWMJS-QGZVFWFLSA-N 437.496 2.491 0 40 IEAB Cc1nc([C@H]2CCCCN2C(=O)Cn2cccnc2=O)nc2c1CCC(=O)N2CC(C)C 19740798 QRXGANXWSFMINW-GOSISDBHSA-N 438.532 2.031 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CCCN3CCOCC3)C2)ncc1C(=O)N1CCCCC1 19763313 CORAHHXCPBZXMD-FQEVSTJZSA-N 443.592 2.230 0 40 IEAB O=C(CN1CCN(Cc2ccsc2)CC1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 22799350 YXESQAOLQIFKMO-OAQYLSRUSA-N 447.626 2.082 0 40 IEAB C[C@H](Oc1ccccc1)C(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134318 UTRKSYXFVBTSNC-INIZCTEOSA-N 426.908 2.427 0 40 IEAB CC[C@@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 33937193 RBAYRKPIKNRBGG-UXHICEINSA-N 440.548 2.338 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccccc1 33939262 UWRUZLRFVUKCSY-MBGNVJMVSA-N 437.521 2.457 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 35877134 DDRMJOXRZHIKBO-LDNFRZNASA-N 432.318 2.474 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)cc2)C1 36408825 HUUIQKBOPJBADX-WIBUTAKZSA-N 437.587 2.500 0 40 IEAB COc1ccccc1-c1noc(Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)n1 38486670 DWIWSMNIYDFNKC-UHFFFAOYSA-N 429.440 2.452 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 38946955 RDQXOKBPBNPOCJ-NHCUHLMSSA-N 444.528 2.464 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccn1 48325223 PVUVAIBYYMJBFR-LJQANCHMSA-N 439.541 2.293 0 40 IEAB CCN(C(=O)[C@@H](C)N1CCN(c2cc(Cl)ccc2C)CC1)[C@H]1CCS(=O)(=O)C1 57477997 UPEVHLJMHDZXID-AEFFLSMTSA-N 427.998 2.195 0 40 IEAB O=C1N[C@]2(COC3(CCN(C(=O)CN4CCCCC4)CC3)C2)Nc2ccc(Cl)cc21 72325507 PPJKNPCLQASRPS-JOCHJYFZSA-N 432.952 2.459 0 40 IEAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(S(=O)(=O)C2CC2)CC1 77200927 KPLCTWYEFSDZHC-UHFFFAOYSA-N 440.509 2.329 0 40 IEAB O=C(NC1(C(=O)NCCCn2cccn2)CCN(Cc2ccccc2)CC1)C(F)(F)F 95997668 MFPIRXZMKUXWFN-UHFFFAOYSA-N 437.466 2.103 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(-n3ccnc3)cc2)Oc2ccccc21 216291019 LUSMXQJWUOTTMW-HXUWFJFHSA-N 426.498 2.106 0 40 IEAB CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1 222632617 GAYXCBCEQYHXOS-UHFFFAOYSA-N 434.514 2.496 0 40 IEAB C[C@H]1Cc2ccccc2N1CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 225090996 DRLCEZQNUHPMPN-INIZCTEOSA-N 427.526 2.460 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(Cc4cccnc4OC)C[C@@H]2C3)cc1 306135407 OPZZYQAJTFWXKK-IRXDYDNUSA-N 434.500 2.247 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1Br 408625158 IGQVWFFOGLNYPK-UHFFFAOYSA-N 426.292 2.449 0 40 IEAB O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1csc([C@@H]2CCCO2)n1 534422416 BOFYAGDCSWXZEL-RDJZCZTQSA-N 444.561 2.020 0 40 IEAB O=C(NCC1CCCCC1)c1nnc2n1CCN1CCN(C(=O)c3ccsc3)C[C@H]21 585109897 IXFWDLSVFLOCBR-QGZVFWFLSA-N 428.562 2.162 0 40 IEAB COc1ccc(-c2coc3cc(O[C@@H]4O[C](CO)[C@@H](O)C(O)=C4O)ccc3c2=O)cc1 1560408798 MAVKKKWVDJEGHF-DENIHFKCSA-N 427.385 2.416 0 40 IEAB Cc1noc(C)c1CCC(=O)N1CCCN(c2ccc3nnc(-c4cccnc4)n3n2)CC1 1775973549 NLCARKKZQXCDDB-UHFFFAOYSA-N 446.515 2.463 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1OC[C@H](C)N)C(C)C)C(=O)O 2037879674 KQSUXLHXRZMTKS-LUVWLHFXSA-N 441.956 2.436 0 40 IEAB Cc1cc2ncn(S(=O)(=O)c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)c2cc1C 1330473 NVUPFFBVAPZXEX-INIZCTEOSA-N 449.554 2.347 0 40 IEAB COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 4875855 GVBJMJASGRZTRF-OAQYLSRUSA-N 427.501 2.285 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 6237841 QLXWGLKQYNQZJA-YMFQVDJJSA-N 448.500 2.334 0 40 IEAB COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc(Cl)c1OCC(N)=O 6239290 YCCCEZWGJMSGEA-UHFFFAOYSA-N 449.891 2.360 0 40 IEAB CN(Cc1nc2ccccc2s1)C(=O)CN1C(=O)C(=O)N(Cc2cccs2)C1=O 8848600 FJSSGFLWMYWWQR-UHFFFAOYSA-N 428.495 2.307 0 40 IEAB CN(CC(=O)N1CCOCC1)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 8943909 HEYUKHLPCLFMOW-LJQANCHMSA-N 444.919 2.401 0 40 IEAB O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9304732 HZGLJVYBDAGVFL-INIZCTEOSA-N 431.514 2.124 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O 9507490 JOVHDRHIIGEHKK-OAQYLSRUSA-N 429.860 2.195 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2CNC(=O)C(=O)Nc2cc(C)ccc2C)cc1 9806857 MHKBPJNVAYNHDN-QGZVFWFLSA-N 445.541 2.220 0 40 IEAB NS(=O)(=O)Cc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 11738735 PQEYNQYRFKDBMQ-UHFFFAOYSA-N 428.489 2.219 0 40 IEAB COc1ccc(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c(OC)c1 12602787 MLPMQMYXASEQQD-UHFFFAOYSA-N 446.529 2.412 0 40 IEAB Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)cc1 12788957 WEUJGQRJGDWIMH-UHFFFAOYSA-N 431.439 2.311 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 12798011 XTYHEEWIAJZPPL-UHFFFAOYSA-N 426.441 2.129 0 40 IEAB COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12887572 WNWPHNCKOAKCSR-UHFFFAOYSA-N 429.542 2.129 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CCCC3)cc2)cc1 12934907 FLJJYYIBAYMGJB-UHFFFAOYSA-N 431.514 2.471 0 40 IEAB CN(CC(=O)N1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 12972554 HSJSUJBPOAMFMD-MRXNPFEDSA-N 432.571 2.278 0 40 IEAB Cc1cc(C)n2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nc2n1 13141230 CPXBGYKZHSBKQB-UHFFFAOYSA-N 446.558 2.256 0 40 IEAB C[C@@H](OC(=O)CCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 16772671 QQVZSQVZKPKZCZ-LLVKDONJSA-N 430.848 2.200 0 40 IEAB Cc1ccccc1SCC(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 16804587 BDBZRVJCQOZWCJ-AWEZNQCLSA-N 434.539 2.256 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)NCC(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 20745496 AMDVCWSVNLXIOA-KRWDZBQOSA-N 434.496 2.005 0 40 IEAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=O)NC2(CCCC2)C1=O 23075094 ZOAGNGPSIOMLKO-UHFFFAOYSA-N 440.422 2.357 0 40 IEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 23742298 VCOVSRNDDAPYIF-FQEVSTJZSA-N 446.935 2.470 0 40 IEAB CN(CC(=O)Nc1cccc2ccccc12)c1ccc(S(=O)(=O)N2CCOCC2)cn1 25777484 QKJPTKJFWKKTQR-UHFFFAOYSA-N 440.525 2.331 0 40 IEAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccccc1Cn1cccn1 28794221 GXFCVZDFHUXXGC-UHFFFAOYSA-N 441.509 2.183 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 32814827 NAZQBZALMHKPGN-CTNGQTDRSA-N 449.573 2.053 0 40 IEAB CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 36229186 TYCTVQFEZIWKOU-ZFWWWQNUSA-N 446.953 2.115 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 42381726 NNYZZENUWJBHGZ-CQSZACIVSA-N 433.577 2.265 0 40 IEAB O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC(c2nc(-c3ncccn3)no2)C1 49482760 ZJQQJBKTOYIXKK-UHFFFAOYSA-N 427.364 2.213 0 40 IEAB Cc1cc(C)nc(S[C@H](C)C(=O)N2CCC(c3nnsc3S(C)(=O)=O)CC2)n1 57742416 UBGLUECRIFHFJP-GFCCVEGCSA-N 441.604 2.235 0 40 IEAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C[C@@H](C)O1 58129868 PXXZKXPSOTWAMY-IAGOWNOFSA-N 436.574 2.084 0 40 IEAB COc1cccc(C2=NC3(CCN(S(=O)(=O)c4ccc(F)c(F)c4)CC3)NC2=O)c1 64965736 CJSPOCBFLBOJLU-UHFFFAOYSA-N 435.452 2.073 0 40 IEAB CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OCC(N)=O)c(OC)c1 79188844 FEQOZWRQPASHRV-NQIIRXRSSA-N 439.420 2.122 0 40 IEAB biogenic CCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)sc1C 83820454 HCEQSWHGKMSWSZ-UHFFFAOYSA-N 449.554 2.097 0 40 IEAB CCn1c(CCC(=O)N2CCC[C@@H]2C(C)(C)O)nc2cc(S(=O)(=O)N(C)C)ccc21 95432275 FSUSNUKTBNZNJG-GOSISDBHSA-N 436.578 2.001 0 40 IEAB COCCN1CC2(CCN(Cc3cccnc3)CC2)COc2ccccc2S1(=O)=O 96037178 CELIXQNIJUOBLC-UHFFFAOYSA-N 431.558 2.394 0 40 IEAB NC(=O)C1(Nc2ccc(F)cc2)CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 100211147 NJKBXANSIAVEND-GOSISDBHSA-N 428.439 2.029 0 40 IEAB COc1cccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@@H]32)c1 101168796 HWVXWRSNFDDDHB-ZWKOTPCHSA-N 443.847 2.289 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]21 101352889 XLOVKIKKBWMGFL-PMACEKPBSA-N 449.467 2.412 0 40 IEAB C[C@@H]1N[C@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 103000833 MECHLOOAVALOHP-WSLRVYHESA-N 440.297 2.390 0 40 IEAB CCOC(=O)C1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(C)cc3)s2)CC1 223532804 NBNMNUVFKPCFMA-UHFFFAOYSA-N 438.531 2.063 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223627008 OGSXKMIFRTVMQP-IBGZPJMESA-N 445.585 2.477 0 40 IEAB CCS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)[C@@H]3[C@H]4CCCC[C@H]43)nc2C1 253490345 IHSMGNKKHVHFFU-OHQAAIJDSA-N 448.589 2.380 0 40 IEAB Cc1cc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)no1 257341033 ZIONTUBAJMNJMK-FIXSFTCYSA-N 427.545 2.411 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408665975 RWAYQXMMAYNDSU-XJSUSFSXSA-N 436.386 2.383 0 40 IEAB CN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)[C@H]1CCCN(c2cccnn2)C1 542951474 DXHMZMKMPVGCBJ-LBPRGKRZSA-N 446.305 2.311 0 40 IEAB CSCC[C@@H](NC(C)=O)C(=O)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575617670 QHRHLRZOZDROIC-IAGOWNOFSA-N 432.995 2.286 0 40 IEAB O=C(c1ccc2nsnc2c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148482 JCBBTIGVCWAKHJ-UHFFFAOYSA-N 427.408 2.122 0 40 IEAB Cc1noc(C)c1C(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643557200 TZYUCQVWCCTZRW-QHCPKHFHSA-N 427.501 2.424 0 40 IEAB COc1nccnc1N(C)CC1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1775977918 LPZXSUQMKCINDB-UHFFFAOYSA-N 434.547 2.027 0 40 IEAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 923011 PNNQPPRBEVVMLC-FQEVSTJZSA-N 436.555 2.063 0 40 IEAB COc1nccnc1NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1 2362337 BJHREOHTLQAYAG-UHFFFAOYSA-N 443.510 2.413 0 40 IEAB COC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccc(OC)cc1 2723998 UQRQRXRUGFNLAR-UHFFFAOYSA-N 426.498 2.400 0 40 IEAB O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 2951994 OCDJHBPZGPUTMY-UHFFFAOYSA-N 432.402 2.057 0 40 IEAB CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 8971236 ZGWWZTQSDRRRGC-CQSZACIVSA-N 444.509 2.395 0 40 IEAB Cc1cc(NC(=O)C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1 9039832 AIGHUDDSVIQSSC-JSGCOSHPSA-N 426.521 2.022 0 40 IEAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 9256096 HVECUBFYWGSPRA-UHFFFAOYSA-N 433.486 2.329 0 40 IEAB CSCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12 9410039 QMVIFLXHHMSCNR-SFHVURJKSA-N 445.564 2.064 0 40 IEAB CCN1C[C@@H](CN(C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)Oc2ccccc21 9469609 FBCBXQWDEXTPMV-CQSZACIVSA-N 428.558 2.494 0 40 IEAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@]2(CCSC2)C1=O 9507116 QGDUJMGYYMPYJM-KRWDZBQOSA-N 447.435 2.097 0 40 IEAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)COc5ccc(F)cc5)CC4)ncnc32)cc1 11665829 COKLSCPEFKZWTK-UHFFFAOYSA-N 447.474 2.386 0 40 IEAB CCN1CCN(c2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3ccccc3F)cc2)CC1 11951759 AHIFANBQWOYPND-INIZCTEOSA-N 434.537 2.273 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(Cl)cc3)C2=O)cc1OC 16051163 PHLKRGXBGREWNY-QFIPXVFZSA-N 445.903 2.483 0 40 IEAB COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cc1 17129534 IRZLILIHIHTKDF-LBPRGKRZSA-N 427.320 2.441 0 40 IEAB CC(=O)N1C[C@H](c2ccc(CN(C)Cc3cccnc3N(C)C)cc2)[C@@H](C(=O)N(C)C)C1 19698768 GYWCMYXHUNCAGE-PKTZIBPZSA-N 437.588 2.430 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3F)C1)C2=O 19699703 BIQVWUXYCYNZIU-LJQANCHMSA-N 444.551 2.402 0 40 IEAB NC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)CN2CCCCCC2=O)C1 19739219 FDLZSBXHIBESFH-HSZRJFAPSA-N 430.549 2.371 0 40 IEAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)n1 19767032 GSQHQMAGIHBQOG-GOSISDBHSA-N 446.577 2.497 0 40 IEAB NC(=O)c1ccsc1NC(=O)CN1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 24510517 DZVRBPWJOHREKR-UHFFFAOYSA-N 448.570 2.023 0 40 IEAB O=C(c1ccn(Cn2cc(Br)cn2)n1)N1CCN(Cc2ccccc2F)CC1 28230424 DAWHUSAHBYLDHB-UHFFFAOYSA-N 447.312 2.445 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCCO2)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 30495861 BLTBUJDTSXAXCL-UHFFFAOYSA-N 446.525 2.126 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)CCN2CCN(c3ccccc3)CC2)c1 32916444 CGMBCZMYMULIQF-GOSISDBHSA-N 431.558 2.352 0 40 IEAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(OCC(=O)O)c(OC)c1 36612828 RLAFRIIKMULLHX-HXUWFJFHSA-N 426.425 2.487 0 40 IEAB O=C(Cn1nc(N2CCN(Cc3ccccc3)CC2)ccc1=O)NCc1ccc(F)cc1 44918443 LPYAPVPQYKPHET-UHFFFAOYSA-N 435.503 2.021 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1OC 46698529 WJQJCGNIIZJLHV-SFHVURJKSA-N 432.542 2.463 0 40 IEAB COC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)N[C@@H]1c1cccs1 57416029 LPZJOVLTKZCPPJ-MRXNPFEDSA-N 436.534 2.082 0 40 IEAB CCCCCNC(=O)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)CC1 58109620 PYKAXZFKPYJOCX-FQEVSTJZSA-N 430.528 2.449 0 40 IEAB O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1ccc2[nH]nnc2c1 60538777 XCXNIJKBOCOJKA-CAOOACKPSA-N 437.437 2.153 0 40 IEAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4nccn4C)nc32)c1 72380233 ZDMIDULKYXGMPZ-UHFFFAOYSA-N 448.527 2.321 0 40 IEAB CC(C)c1cc(C(=O)N[C@H](C)C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)n(C)n1 72394935 CSBMLXJBKWIQTK-SJLPKXTDSA-N 427.549 2.013 0 40 IEAB COC(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1)c1ccc(F)cc1F 89396239 JSJNQKHCSRZELG-GOSISDBHSA-N 438.452 2.297 0 40 IEAB Cc1cc([C@@H](O)CCNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)o1 90613465 XZCHDFASCURHPI-IBGZPJMESA-N 442.559 2.228 0 40 IEAB O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nn1c(S)nc2ccccc2c1=O 102442900 AGSOMMRZLKRBBT-UHFFFAOYSA-N 439.522 2.106 0 40 IEAB CCOc1cccc(N(CC(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 219145035 SLHGRRWNGTWLDR-UHFFFAOYSA-N 446.573 2.242 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H]([C@H](C)O)N[C@]23C(=O)Nc2c(C)cccc23)c1 248335816 NRVIXZWDGPUGHO-OATUZAKOSA-N 425.485 2.157 0 40 IEAB Cc1cc(Cc2ccccc2)cc([C@H]2CN(C(=O)CCN3C(=O)CCNC3=O)CCO2)n1 257253567 JZKGCZXOBONAMV-OAQYLSRUSA-N 436.512 2.213 0 40 IEAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1 408693512 YFVDRHDGQZKJBE-UHFFFAOYSA-N 448.497 2.063 0 40 IEAB O=S(=O)(NCCN1c2ccccc2N(C2CC2)S1(=O)=O)c1ccccc1Cl 585147770 ZKIJSRYCGGGKOY-UHFFFAOYSA-N 427.935 2.352 0 40 IEAB Cc1cc2cc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)ccc2n(C)c1=O 1141394510 AMDRKXZJBNDRHP-WIYYLYMNSA-N 437.471 2.129 0 40 IEAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1548348864 UHYPSGYAFSHFLD-QUCCMNQESA-N 447.535 2.389 0 40 IEAB COc1cccc(NC(=O)N2CCN3C(=O)OC4(CN(c5ccc(F)cn5)C4)[C@@H]3C2)c1 1549160485 DUQVYNVKEOKHOQ-KRWDZBQOSA-N 427.436 2.157 0 40 IEAB Cc1nc2ccccn2c1C(=O)N1CC[C@@]2(CCc3nnc(C(=O)NCC4CC4)n3CC2)C1 2055793539 RIBLAEHKAUJVND-XMMPIXPASA-N 447.543 2.243 0 40 IEAB Cc1cccc(OCCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 2665176 HCSUZFSDAMWMJZ-UHFFFAOYSA-N 446.525 2.068 0 40 IEAB CCc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 3289269 MVXDJIGCCNOBBX-GJZGRUSLSA-N 434.514 2.495 0 40 IEAB CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2O1 3429209 RDEUAMHBBLAGOC-UHFFFAOYSA-N 448.516 2.451 0 40 IEAB COc1ccc(CC(=O)N2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)cc1OC 4972217 SDNFSTFVHOFKAH-UHFFFAOYSA-N 442.512 2.177 0 40 IEAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)NCc1ccc2c(c1)OCO2 8720655 REEIXGUUDCWEFY-CQSZACIVSA-N 449.554 2.392 0 40 IEAB O=C(CSc1nnnn1C[C@@H]1CCCO1)Nc1ccccc1C(=O)NC1CCCC1 8778069 PFZMUPHLUKZWIB-HNNXBMFYSA-N 430.534 2.255 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCn2c(C)nc3ccccc32)CC1 9208725 OBOWYFAQERGVEA-UHFFFAOYSA-N 445.545 2.167 0 40 IEAB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 9428184 XYJHJKBRXBIALT-BVOGOJNSSA-N 431.448 2.301 0 40 IEAB C[C@H](NC(=O)[C@@H](Cc1cc(=O)[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1)C(=O)O 9485595 VEJGHNSSFYPZQT-KPZWWZAWSA-N 441.871 2.112 0 40 IEAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H]4CCS(=O)(=O)C4)c(=O)c23)cc1C 9494275 VQRNZKFKQWGUHX-OAHLLOKOSA-N 431.539 2.045 0 40 IEAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)(=O)C2)C(=O)NC1CCCCC1 10219928 MFZJDVIUTNWMCS-UHFFFAOYSA-N 436.921 2.342 0 40 IEAB CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC1CCCCCC1 11430161 ANPWDMIUNJNBML-NRMGUKERSA-N 442.603 2.219 0 40 IEAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@@H]4CC(=O)NCCCn2ccnc2)c1 11613374 SXRAATAODAEKDX-KRWDZBQOSA-N 449.540 2.331 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCC([C@H]3CC(=O)c4cc(F)ccc4O3)CC2)CC1 12154170 RUGMFOFGXFZVBN-HXUWFJFHSA-N 438.521 2.070 0 40 IEAB O=C(Nc1ccncc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 12593988 NMHSZEBDVQNXGP-UHFFFAOYSA-N 430.530 2.345 0 40 IEAB Cn1nnnc1-c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 12765279 JTLGEZUFAVRJPD-QGZVFWFLSA-N 446.920 2.322 0 40 IEAB COc1cccc(OC)c1C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036840 NPYNLASQWDZOGJ-UHFFFAOYSA-N 445.483 2.190 0 40 IEAB O=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)s1 13132071 PSSHSUKWERAELN-YPMHNXCESA-N 447.893 2.091 0 40 IEAB CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1 13566655 HLNWUSMYRSKMRT-AWEZNQCLSA-N 446.529 2.069 0 40 IEAB Cc1nn(S(=O)(=O)c2ccc(Br)cc2)c(C)c1S(=O)(=O)N1CCCC1 14092924 DAJBOAONHWAPHK-UHFFFAOYSA-N 448.364 2.284 0 40 IEAB CCCCn1c(N)c(N(CCC)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(=O)[nH]c1=O 14849447 ZPMKGABEYXUPMQ-MRXNPFEDSA-N 441.532 2.253 0 40 IEAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15608660 QUOABLDKGCUMTE-MRXNPFEDSA-N 445.541 2.488 0 40 IEAB COc1ccc(OC)c(CCNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)c1 15843146 IHMWTUVFNKCUJC-UHFFFAOYSA-N 446.525 2.379 0 40 IEAB biogenic COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 16038729 SRHKMSMTTKGPGW-MYGLTJDJSA-N 443.459 2.495 0 40 IEAB Cc1cc(C(=O)N2C[C@H](C(=O)NC(C)C)[C@@H](c3ccnc(N4CCCCC4)n3)C2)on1 19119964 YXGKWMCWLZHIFJ-IRXDYDNUSA-N 426.521 2.144 0 40 IEAB CC(C)[C@@H](CO)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19445323 DTWDAUUJFUZEDK-JOCHJYFZSA-N 434.540 2.202 0 40 IEAB Cc1cc(C)cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)c1 19569507 IOWGGUQUNGKBRL-UHFFFAOYSA-N 439.541 2.246 0 40 IEAB O=C(c1cccnc1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699443 YRQFAVRXUWWDPC-UHFFFAOYSA-N 447.539 2.273 0 40 IEAB CNc1nc(C2CCN(C(=O)Cc3csc(C)n3)CC2)nc2c1CCN(C(C)=O)C2 19752463 FNVPURKPGSVKEY-UHFFFAOYSA-N 428.562 2.137 0 40 IEAB Cc1noc(CCC(=O)N2CC[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)n1 19761131 MMKRWNQWZQNMKM-QGZVFWFLSA-N 449.511 2.347 0 40 IEAB CCOc1ccc(CNC(=O)[C@H]2CN(S(C)(=O)=O)c3ccccc3O2)cc1OCC 20034953 DWUROJZGPULHJZ-HXUWFJFHSA-N 434.514 2.327 0 40 IEAB CCN1CCN(CC(=O)N2CCc3c([nH]c4ccccc34)[C@]23C(=O)Nc2ccccc23)CC1 20636518 XDTIYURVFSMNIQ-AREMUKBSSA-N 443.551 2.386 0 40 IEAB NC(=O)c1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)cc1 22768052 YBKCEWAELAHINP-UHFFFAOYSA-N 446.442 2.336 0 40 IEAB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(OC)cc2)N2CCN(C)CC2)cc1 22795528 GAMDOISHWKTIGK-JOCHJYFZSA-N 440.544 2.137 0 40 IEAB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN([C@H](C)C(=O)NC(=O)NC(C)C)CC1 22915876 LFSBAKJEWUQLLR-QAPCUYQASA-N 438.956 2.185 0 40 IEAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 23445588 AMHPNFCOXACDDQ-MRXNPFEDSA-N 429.542 2.372 0 40 IEAB COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCCN)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 31841108 AVQJGWBIRNZWFE-COWZOJLOSA-N 443.452 2.089 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 35388307 FDVNSNUWWNXMQE-QFIPXVFZSA-N 443.569 2.365 0 40 IEAB O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 36614632 WALTZCJTYRRBSK-UHFFFAOYSA-N 431.489 2.099 0 40 IEAB Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(C)(=O)=O 36757244 GNXDKJGPIAKRRO-KRWDZBQOSA-N 445.541 2.309 0 40 IEAB O=C(CCNC(=O)[C@H](Sc1ccccc1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 48250715 MMZWXAPRXHFHQI-FXAWDEMLSA-N 432.567 2.330 0 40 IEAB COc1cc(OC)cc([C@@H](NC(=O)C2CCN(C(=O)C3CC3)CC2)c2nccn2C)c1 48332340 IEIHHMOAFVSRQG-HXUWFJFHSA-N 426.517 2.292 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2cccc(I)c2)cc1 71900991 YZSFPDFRVVBLEU-UHFFFAOYSA-N 445.282 2.303 0 40 IEAB Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)CC2)n1 79477800 YWMMJBIYSWWARU-UHFFFAOYSA-N 429.546 2.488 0 40 IEAB CC(=O)[C@H](NC(=O)CN1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1)C(C)C 95405700 ZXFWJKZHOAHKCO-HXUWFJFHSA-N 429.483 2.475 0 40 IEAB Cn1cc(C[C@@H](CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C(N)=O)cn1 95448233 CQWDADVBPFWRMN-SFHVURJKSA-N 448.552 2.434 0 40 IEAB COc1cccc(N2CCN(Cc3coc(O)c(CN4CCSCC4)c3=O)CC2)c1 101408463 MYGKNGVJLAWQAL-UHFFFAOYSA-N 431.558 2.225 0 40 IEAB CCOC(=O)CN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224893888 AWXWLCMQKPUPPJ-UHFFFAOYSA-N 434.470 2.190 0 40 IEAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1 225965049 WVZHVZLWTAGEGB-UHFFFAOYSA-N 439.559 2.284 0 40 IEAB CCn1nc([C@H](C)C(=O)N2[C@H]3CC[C@H]2Cc2c(O)nc(C)nc2C3)c2ccccc2c1=O 247969553 RQGCFOASUHLCHF-BPUTZDHNSA-N 433.512 2.482 0 40 IEAB Cc1nn2c([C@H]3CN(C(=O)CC4CCCC4)CCO3)ccnc2c1CN1CCC(O)CC1 257291526 QHJGGPUITBERBQ-JOCHJYFZSA-N 441.576 2.475 0 40 IEAB CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Br)c(Cl)c3)C(=O)[C@H]12 409306692 PVMQRPXITQJEDE-VWPFQQQWSA-N 426.650 2.479 0 40 IEAB NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)Cc2ccc3c(c2)OCO3)CCO1 585287133 UHJRPCNMNZUGSQ-QFIPXVFZSA-N 446.887 2.163 0 40 IEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1nc2nccc(C)n2n1 2631439 QSPCKJZJPSBVTA-UHFFFAOYSA-N 426.477 2.319 0 40 IEAB CCCn1c(SCC(=O)Nc2nc3ccccc3s2)nc2c1c(=O)n(C)c(=O)n2C 6162573 BZLJKBSIVSQANB-UHFFFAOYSA-N 444.542 2.184 0 40 IEAB Cc1ccc2oc(C(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc(=O)c2c1 9216891 RWDCSHAZRUGZJP-JOCHJYFZSA-N 434.448 2.226 0 40 IEAB CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)c1cccc(-n2cnnn2)c1 9253944 LNYJZXRQGIQJMZ-UHFFFAOYSA-N 429.458 2.258 0 40 IEAB CCOc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OCC 9260068 ZUVUHXGBVDXZDS-WUXMJOGZSA-N 427.251 2.312 0 40 IEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 9481765 ZRTPAOTZCZYMBO-UHFFFAOYSA-N 434.481 2.393 0 40 IEAB O=C(OCCOc1ccccc1F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 9633269 AYTXZKPETHXOEU-UHFFFAOYSA-N 427.425 2.222 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnnn1C1CC1 9742176 WEIOSWHNIBTCJW-UHFFFAOYSA-N 436.563 2.222 0 40 IEAB C[C@H]1Oc2ccc(NC(=O)CCc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)cc2NC1=O 10220161 ZXQVFAVMDLLTNF-CYBMUJFWSA-N 444.451 2.400 0 40 IEAB O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2oc3ccccc3c21)NC[C@H]1CCCO1 12140777 PKYCHLYSZKRGTG-MRXNPFEDSA-N 437.427 2.333 0 40 IEAB COc1cccc2cc(-c3ccc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)cc3)c(=O)oc12 12408870 UBUCUYABFNNMIQ-MRXNPFEDSA-N 443.477 2.151 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCC(=O)NCc2ccc3c(c2)OCO3)cc1 12943118 JUTBYWDBYORLAW-MRXNPFEDSA-N 447.557 2.413 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cc(F)cc(F)c3)CC2)cc1 12947178 GTTULGQAICZIAC-UHFFFAOYSA-N 446.497 2.105 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 12972047 RBGNLADSXWCENV-INIZCTEOSA-N 435.571 2.167 0 40 IEAB CC(C)(CNC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1)N1CCOCC1 13010125 GLGYQIPDYWSCOY-UHFFFAOYSA-N 442.585 2.446 0 40 IEAB Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 13571585 INRSOSBKVCNFDT-CQSZACIVSA-N 430.482 2.141 0 40 IEAB CN(C)CCNC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1 13673946 UZLKNSWXBNNBRB-UHFFFAOYSA-N 440.363 2.322 0 40 IEAB NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 15383316 PXYJCYBQQHKFBC-UHFFFAOYSA-N 448.854 2.364 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 16644627 PKLPJNSEUOSZMB-SFHVURJKSA-N 431.558 2.328 0 40 IEAB COc1ccc(-c2ccc(C[C@H]3CN(C(=O)[C@@H](C)N4CCCC4=O)CCNC3=O)cc2)cc1 19079199 QNWXGMVILLVORT-GCJKJVERSA-N 449.551 2.490 0 40 IEAB Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CCOC4)[nH]c(=O)c3C2)s1 19217000 WAXBHYZBKZCCBL-PBHICJAKSA-N 442.541 2.038 0 40 IEAB CCN1C[C@H](C(=O)NC2CCN(Cc3cc(-c4ccccc4F)nn3C)CC2)CC1=O 19526976 QLPAZFWCZFQSLL-MRXNPFEDSA-N 427.524 2.175 0 40 IEAB COc1cccc(CN2CCN(S(=O)(=O)c3cnc(-c4ccccn4)nc3C)CC2)c1 19552852 CDDLGPZZHKTPJV-UHFFFAOYSA-N 439.541 2.362 0 40 IEAB Cc1sc2c(C3CCN(C(=O)[C@H](C)N[C@H]4CCS(=O)(=O)C4)CC3)nc(C)n2c1C 19561763 RVSXYXFSNVPFIZ-SJCJKPOMSA-N 438.619 2.192 0 40 IEAB C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)c(N)n2)CC1 19765912 JQJFOANWNNQDEE-KRWDZBQOSA-N 443.592 2.011 0 40 IEAB CCn1c(=O)c(=O)n(Cc2ccc(F)cc2Cl)c2cc(S(=O)(=O)N(C)C)ccc21 22340764 HKBLVSFOMQKIGA-UHFFFAOYSA-N 439.896 2.274 0 40 IEAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 24040261 LZWZWTXURZSNFF-UHFFFAOYSA-N 438.889 2.400 0 40 IEAB COc1ccc(NC(=O)CCSCCC(=O)O)cc1S(=O)(=O)N1CCCCC1 25053936 BBCXEFOTZPNONV-UHFFFAOYSA-N 430.548 2.406 0 40 IEAB O=S(=O)(c1ccc(Sc2nnc(-c3ccc4c(c3)OCO4)o2)nc1)N1CCOCC1 25054985 CNJGTJFKZUUDHU-UHFFFAOYSA-N 448.482 2.032 0 40 IEAB Cc1[nH]c2ccccc2c1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 25437470 KAELYUJBKJDWNN-UHFFFAOYSA-N 433.555 2.418 0 40 IEAB C[C@@H](C(=O)NC[C@H](C)c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 31594296 ITUSURFCVFNVFG-PMACEKPBSA-N 429.586 2.442 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@]12CCC(=O)N1c1ccccc1S2 32845087 KALYQGMLDOYTDB-OAQYLSRUSA-N 443.550 2.455 0 40 IEAB O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1 32850691 IYVOHIYXVGUCLJ-UHFFFAOYSA-N 432.402 2.057 0 40 IEAB Cc1cccc(OCCNC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3O)CC2)c1 40155896 YTWATGDWKCHBLG-UHFFFAOYSA-N 433.530 2.104 0 40 IEAB Cn1ccnc1[C@](O)(CCNC(=O)N1CCN(Cc2cccs2)CC1)C(F)(F)F 59300778 KKMNSMOFZKGBHA-QGZVFWFLSA-N 431.484 2.149 0 40 IEAB CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc(S(N)(=O)=O)c(F)c2)c1 72310170 LWAZBZGUXWQYSD-UHFFFAOYSA-N 428.507 2.439 0 40 IEAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 72348224 VGFCLUYUZMIFGX-UHFFFAOYSA-N 427.464 2.188 0 40 IEAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)N1CCC(NS(=O)(=O)c2ccccc2)CC1 97438448 XOPRGOFZWWBZTP-HNNXBMFYSA-N 448.511 2.023 0 40 IEAB CCOC(=O)Cn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cc(S(N)(=O)=O)ccc21 100877462 YJKGJRSJUUUJMO-VPRJXVDDSA-N 445.522 2.054 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(C)c(C)c4)[C@H]3C2=O)cc1OC 101169885 MZQVZGABVXUJDT-VQTJNVASSA-N 437.456 2.253 0 40 IEAB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C(=O)OC)cc2)CC1=O 139016792 KRERXNRPTFUVEM-INIZCTEOSA-N 440.452 2.407 0 40 IEAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 224066531 JDGGRUMCBYYRHZ-QGZVFWFLSA-N 449.548 2.188 0 40 IEAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 225560594 VKZLVFKUBRTRRQ-UHFFFAOYSA-N 440.525 2.132 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1CCN(C(C)=O)C2 257229463 FYFNTQIMRVIDFC-GOSISDBHSA-N 437.544 2.380 0 40 IEAB Cc1ccccc1CC(=O)N1CCc2nc3n(c(=O)c2C1)CC[C@@]31CCN(CC2CC2)C1 306126606 DZZNXWGKCZVUDR-AREMUKBSSA-N 432.568 2.436 0 40 IEAB O=C(c1ncccn1)N1CCCCC2(CO)CCN(CC2)C(=O)c2ccccc2OCC1 643575652 XFYCUHIDAIGSIQ-UHFFFAOYSA-N 438.528 2.396 0 40 IEAB O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 1363958 OETLPHUYAVUSMV-GOSISDBHSA-N 444.561 2.070 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccccc4)CC3)C2)cc1 1458463 ODCKSKWAHMLBCY-IBGZPJMESA-N 443.569 2.445 0 40 IEAB CC(C)(C)n1c2c(c(=O)[nH]c1=O)[C@](NC(=O)CCC1CCCCC1)(C(F)(F)F)C(=O)N2 2491979 DSKLPVYQCXSETG-LJQANCHMSA-N 444.454 2.478 0 40 IEAB COc1ccc(CC(=O)NCc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1 2623647 UNZLLWJZCYGKTL-UHFFFAOYSA-N 438.933 2.228 0 40 IEAB CN(CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccccc1N1CCOCC1 8192757 BIIYNVQHQCYWRA-UHFFFAOYSA-N 426.536 2.443 0 40 IEAB COc1ccc2c(CC(=O)OCC(=O)N(CC(C)C)[C@@H]3CCS(=O)(=O)C3)coc2c1 9128059 GCPVMUYLEKPMPQ-MRXNPFEDSA-N 437.514 2.199 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2C(C)C)cc1 9713717 NNLKBANDYXQVKP-OAHLLOKOSA-N 438.575 2.272 0 40 IEAB CC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)N[C@]2(CCCc3sccc32)C1=O 9864964 LOKWPLAYYUAUKM-JTSKRJEESA-N 425.510 2.148 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)N4CCOCC4)CC3)n2)cc1OC 12142683 FKINGVFIJGBVHV-UHFFFAOYSA-N 442.516 2.092 0 40 IEAB Cc1nccn1CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 12143485 MWNKLFVOWJJAFO-UHFFFAOYSA-N 446.573 2.033 0 40 IEAB COc1cc(CC(=O)N2CC[C@H](c3cc(O)n4nc(C)cc4n3)C2)cc(OC)c1OC 12162044 HHLXUOFJUWTQRI-HNNXBMFYSA-N 426.473 2.328 0 40 IEAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 12846619 ZCWYYZLZGHINIJ-TZIWHRDSSA-N 431.533 2.370 0 40 IEAB CCc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 13165413 YNWVDNSKVLLBKA-UHFFFAOYSA-N 444.553 2.486 0 40 IEAB CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C 13567074 PAGUANGYXHUDHS-UHFFFAOYSA-N 434.514 2.432 0 40 IEAB O=C(CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCOCC1)N1CCOCC1 19348515 DSVQOTUZMHKFCD-UHFFFAOYSA-N 437.540 2.453 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cccc(F)c2)C1 19692780 HFGQSKQNQYLPCU-GOSISDBHSA-N 437.541 2.309 0 40 IEAB O=C(CNC(=O)c1cccc(Br)c1)NCC1(N2CCOCC2)CCCCC1 22462499 QHTMEILOYXZCBT-UHFFFAOYSA-N 438.366 2.330 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@H](c3ccc(C)o3)N3CCOCC3)ccc21 24714457 BPQRPQYCXMSVEA-OAQYLSRUSA-N 447.557 2.239 0 40 IEAB C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)NC1CCN(Cc2ccccc2)CC1 27944141 QGPRDZZTAPXWPR-APWZRJJASA-N 430.578 2.114 0 40 IEAB CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccnc(N4CCOCC4)c3)no2)CC1 35424573 DLERVDIXEDGBBS-IBGZPJMESA-N 426.521 2.116 0 40 IEAB biogenic,in-vitro CC1CCN(S(=O)(=O)c2cccn(CC(=O)Nc3cc(F)ccc3F)c2=O)CC1 49409134 OJXNCGFNAOALMU-UHFFFAOYSA-N 425.457 2.186 0 40 IEAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC[C@H]1CCN(c2ccccc2)C1 70036772 CCDNRLSVCGMYOB-HXOBKFHXSA-N 432.524 2.105 0 40 IEAB CCN(CC(C)(C)O)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 72310428 WRLPSYFRJNFUOZ-KBPBESRZSA-N 432.970 2.371 0 40 IEAB Cc1cccc(CCNC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 72326349 NWJIONPXOCTSLV-XDHUDOTRSA-N 435.528 2.002 0 40 IEAB O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cccc(CN2CCOCC2)c1 84536075 YNOVPENEWRAIDD-UHFFFAOYSA-N 436.600 2.457 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc([S@](C)=O)cc3)C2=O)cc1 89629896 NRXZEFAOHHQYKT-DCXMWEEBSA-N 427.526 2.377 0 40 IEAB O=S(=O)(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccc(F)c(F)c1 95445373 VVHPSAZYHJFQAR-UHFFFAOYSA-N 432.455 2.418 0 40 IEAB CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 95460090 NQKYDMRITRIIAV-XPNTWCBSSA-N 439.556 2.275 0 40 IEAB COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cn1 100015733 XDLYKKIQACFMJG-IYBDPMFKSA-N 425.489 2.245 0 40 IEAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(OC)c(OC)c3)C2=O)cc1 101166042 GJYGAUGKTYFJKR-UXHICEINSA-N 437.456 2.198 0 40 IEAB Cc1ccc(S(=O)(=O)NCCCOCCCNS(=O)(=O)c2ccc(C)cc2)cc1 196382340 BWGQACVASIYZNS-UHFFFAOYSA-N 440.587 2.357 0 40 IEAB CN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H]1CCN(S(C)(=O)=O)c2ccccc2O1 222750135 ZCDCDTKXRCCMSB-GOSISDBHSA-N 442.497 2.312 0 40 IEAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225470711 CUEFQLUIDLVNSN-YSIASYRMSA-N 425.529 2.270 0 40 IEAB CC(C)(C)C1CCN([C@H]2[C@H](NC(=O)CCC(N)=O)C[C@@H](Oc3ccccc3F)[C@@H]2O)CC1 257202505 AMDPXIAGZJOCJC-GNRVTEMESA-N 449.567 2.215 0 40 IEAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2cccc(-n3cnnc3)c2)(c2ccccc2)CC[C@@H]1O 257267538 MHSHOMHRSNLIOE-LSQMVHIFSA-N 447.539 2.375 0 40 IEAB COCCN1C(=O)CO[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3OCC(=O)O)CC[C@@H]21 257299551 RQMKJHVRCGBUIC-PMACEKPBSA-N 448.560 2.286 0 40 IEAB CCS(=O)(=O)N1C[C@@H](c2ccnn2C(C)C)[C@@]2(CCCN(Cc3cccnc3)C2=O)C1 306136669 PZMPRCBXHMAHMM-SIKLNZKXSA-N 445.589 2.417 0 40 IEAB O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc3nc(C4CC4)cc(=O)n3[nH]2)CC1 390828846 UWBIVOXJAPTGJP-UHFFFAOYSA-N 432.406 2.276 0 40 IEAB CCOc1ccc(N2CCN(CC(=O)N3CCC[C@H](Oc4ncc(F)cn4)C3)C2=O)cc1 585147260 KMNTVUUEGSRGOP-IBGZPJMESA-N 443.479 2.326 0 40 IEAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)CN2CCCC2)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585262270 NLDZGQKKRMSZLN-SDZTWWDVSA-N 441.547 2.419 0 40 IEAB COCC(=O)N1CCCCCCCNCc2cc(C(=O)NCCN3CCCC3=O)ccc21 643583868 MQKJOSRPHNMKAX-UHFFFAOYSA-N 444.576 2.072 0 40 IEAB COC(=O)[C@@H](NC(=O)c1ccccc1)[C@H](c1c(O)cc(O)cc1O)P(=O)(OC)OC 1626673 DPXHLJYLCMEQPX-IRXDYDNUSA-N 439.357 2.302 0 40 IEAB COCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(C(=O)OC)cc2)C1=O 2116967 XZZMYTZNLVZKHB-REWPJTCUSA-N 447.491 2.286 0 40 IEAB biogenic CC(C)OCCCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O 2601897 WALBQMFHXCDYGU-UHFFFAOYSA-N 426.311 2.164 0 40 IEAB Cc1ccccc1N1C(=O)C[C@H](N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1=O 2646447 DJRCUVYRSUIIBS-IBGZPJMESA-N 447.944 2.287 0 40 IEAB CCCS(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1 3841384 WFEWDOGXSTURKR-GOEBONIOSA-N 433.505 2.399 0 40 IEAB biogenic,in-vitro CCCCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@H](CC)N(C)C 4144630 QRDZBHKGPVQDNL-HOTGVXAUSA-N 445.655 2.219 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 9442136 DSPSBDXQDCEISA-UHFFFAOYSA-N 442.946 2.238 0 40 IEAB COc1cccc(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1 9529820 IYHCSHCVNCZIAK-UHFFFAOYSA-N 436.512 2.218 0 40 IEAB COc1cc(C(=O)Oc2coc(CSc3nncn3C)cc2=O)cc(OC)c1OC 9740138 KYVVOUCBARZFIP-UHFFFAOYSA-N 433.442 2.306 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)ccc21 9788978 PWZQVVCGSCEUGT-UHFFFAOYSA-N 433.530 2.082 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCSc3ccccc32)c1 9815065 LYHBIGOKONCBBM-QGZVFWFLSA-N 435.571 2.232 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 9908462 YVLVVAUAGVSZJX-OAHLLOKOSA-N 442.541 2.374 0 40 IEAB Cc1cc(N(CC(=O)NCCCN2CCCC2)S(C)(=O)=O)ccc1Br 10450129 TYVOFVIJNKYICN-UHFFFAOYSA-N 432.384 2.126 0 40 IEAB COCCOc1cc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)c(C(=O)O)cc1OC 10512153 WNEULDLPDIQHPS-UHFFFAOYSA-N 439.442 2.006 0 40 IEAB Cc1ncc(-c2ccccn2)c(CN(C)S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1 12088892 MCOMVLZGMTUALU-UHFFFAOYSA-N 425.470 2.113 0 40 IEAB COc1ncccc1[C@@H](Cc1ccsc1)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 12228871 RROZQKKHSCRZIY-IERDGZPVSA-N 428.514 2.272 0 40 IEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1 12874344 AXIMJRRPWWYXGT-OAQYLSRUSA-N 430.464 2.287 0 40 IEAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O 12933141 OKJLSRSCSQBIGE-JOCHJYFZSA-N 442.422 2.497 0 40 IEAB O=S(=O)(Cc1ccccc1)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 13539142 JXXUVBHJFLRNHG-UHFFFAOYSA-N 427.461 2.429 0 40 IEAB O=C(NCCCc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C[C@]23C=C[C@H]1O3 13570550 ISMJPIZKTNKKRE-BBNRHVKASA-N 432.476 2.451 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)o2)cc1 14071288 OWSNVARFUAMKRY-UHFFFAOYSA-N 430.486 2.025 0 40 IEAB CC[C@H](C(=O)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 14164508 ZWJBOHONSYYRQK-XZOQPEGZSA-N 448.567 2.246 0 40 IEAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 16975087 JXUAIOSPJYAOAO-OAHLLOKOSA-N 428.557 2.334 0 40 IEAB O=C(c1ccco1)N1CCN([C@H](c2ccc(F)cc2)c2nnnn2C[C@H]2CCCO2)CC1 19342089 HFJCZJPQWPINSL-UYAOXDASSA-N 440.479 2.132 0 40 IEAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1ncc2ccccc2c1=O 19520556 YDTBDTVVNRQXFW-INIZCTEOSA-N 435.509 2.277 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[nH]c(=O)c32)c1 22610333 ZCFPTAXLBLTTKK-CQSZACIVSA-N 441.488 2.088 0 40 IEAB O=C(CN1CCN(CC(=O)N(CCc2ccccc2)Cc2cccs2)CC1)NC1CC1 23287900 HBSJEUPEPBWFNY-UHFFFAOYSA-N 440.613 2.216 0 40 IEAB O=C(CCCC[C@@H]1[C@@H]2NC(=O)N[C@@H]2CS1(=O)=O)Nc1ccc(-c2nccs2)cc1 25042899 JMXOFAUCBRXFAH-BFYDXBDKSA-N 434.543 2.156 0 40 IEAB O=C(NCCC(=O)N1CCN(Cc2ccncc2)CC1)c1ccc(Br)cc1 28623567 GCMZARYFVCCNEW-UHFFFAOYSA-N 431.334 2.308 0 40 IEAB CC[C@@]1(C)NC(=O)N(N/C=C2/C(=O)N(c3ccc(Cl)cn3)C(=O)c3ccccc32)C1=O 33014874 OZQKMRRIMBYCMO-RKZJEGACSA-N 439.859 2.488 0 40 IEAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2Cl)C1 35378111 QXRBRCUVBZCHJT-ZDUSSCGKSA-N 425.894 2.054 0 40 IEAB CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)c1cccc(F)c1 40047580 UJGGMFBMYXGHNZ-TZIWHRDSSA-N 449.548 2.316 0 40 IEAB COC(=O)[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Cc1ccc(F)cc1 48326079 MNZCGQJRSZRRNX-SFHVURJKSA-N 448.516 2.372 0 40 IEAB CCOC(=O)CCN(Cc1cccnc1)C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 60098229 WUWUSGVBIYARHV-SFHVURJKSA-N 425.485 2.425 0 40 IEAB CC(=O)Nc1cccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c1 67197218 XDPAWVBVMLLWFH-UHFFFAOYSA-N 432.436 2.402 0 40 IEAB CCOc1ccc(NS(=O)(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N(C)C 69350872 MEAKGFKMPSCVET-UHFFFAOYSA-N 439.559 2.051 0 40 IEAB Cc1ccc(C2(CN3CCC(NC(=O)Cn4ccc(=O)[nH]c4=O)CC3)CCCCC2)cc1 72393571 AIFKREAHBLNXOA-UHFFFAOYSA-N 438.572 2.328 0 40 IEAB COC(=O)c1ccoc1CN1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 84129524 UJJNLWMGPYZCCC-UHFFFAOYSA-N 429.498 2.429 0 40 IEAB CCOC(=O)c1ccsc1NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1 96930945 FTVJQNZQSGPXQE-UHFFFAOYSA-N 448.520 2.259 0 40 IEAB COc1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5ccccc5[C@@H]4[C@@H]3C2=O)cc1OC 101374100 SGNZOGHXIPCUNW-RYRKJORJSA-N 438.461 2.182 0 40 IEAB COc1cc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(C)(=O)=O)c(OC)cc1Cl 220055137 VIGKQJXXBPAXJC-UHFFFAOYSA-N 442.877 2.491 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222973345 NELFGHHHJOUNIK-QGZVFWFLSA-N 449.548 2.308 0 40 IEAB Cc1cccc(N([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 223879004 NUEMKZYXTMFYOA-HOTGVXAUSA-N 438.571 2.430 0 40 IEAB COc1ccc(CNC(=S)Nc2nc(N3CCCC3)cc(N3CCOCC3)n2)cc1 225930202 KDMMWRXASMJSOW-UHFFFAOYSA-N 428.562 2.409 0 40 IEAB CC1=NNC(=O)[C@@H]1CCC(=O)N1CCCN(C(=O)CC(C)C)c2ccccc2CNCC1 643557113 DUXHRJSTAKNTSC-HXUWFJFHSA-N 441.576 2.290 0 40 IEAB Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(Br)c2)cc1 3271585 VOGFYQKMMXMCGF-UHFFFAOYSA-N 441.303 2.218 0 40 IEAB CCCCCNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O 8393242 MJCMYIAVKBKVSN-UHFFFAOYSA-N 425.533 2.370 0 40 IEAB COc1ccccc1[C@H](O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9097303 VVSSPDDEKBQXBU-QFIPXVFZSA-N 447.557 2.419 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1n[nH]c2ccccc12 9349040 VRTXINSOHRZMJA-CYBMUJFWSA-N 430.486 2.306 0 40 IEAB CSCC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)O 9537131 LASPGCUIKGITES-AWEZNQCLSA-N 434.967 2.451 0 40 IEAB C[C@@H](C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1)n1nnc2ccccc21 12085501 FHYOSYKZIZRRKH-UPCLLVRISA-N 446.511 2.326 0 40 IEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 12321349 JVXXDEQCJILLKH-QFBILLFUSA-N 435.480 2.430 0 40 IEAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 12785732 ORLWGLSSOOAGPZ-YSESTWPTSA-N 444.491 2.396 0 40 IEAB CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1ccc2ccccc2c1 14244087 VMEDJDWZEGCEGA-UHFFFAOYSA-N 447.463 2.493 0 40 IEAB Cc1nc(CN(C)C(=O)COC[C@@H]2CCCO2)nc2c1CCC(=O)N2Cc1ccccc1 19698603 GIBRSBVOYXLXNG-IBGZPJMESA-N 438.528 2.418 0 40 IEAB CC(C)n1nccc1C(=O)N1CCO[C@H](c2c(C(=O)NCCO)sc3ncccc23)C1 19702195 NACDNNLQZNABKH-INIZCTEOSA-N 443.529 2.010 0 40 IEAB CCN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2)CC1 19819956 NZMCNCMQBXMGSK-FQEVSTJZSA-N 431.558 2.115 0 40 IEAB O=C(CCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NC[C@@H](O)c1ccccc1 20745225 ZYXBPVAFJLCYDR-JOCHJYFZSA-N 448.523 2.082 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H](C)Oc2ccccc2F)CC1 23129542 GFUGUCXIAMKAAU-OAHLLOKOSA-N 425.482 2.121 0 40 IEAB Cc1ccccc1OCC(=O)N1CCN(c2nnc(SCC(=O)NC(C)C)s2)CC1 23141830 DESXHWSIBMCQFU-UHFFFAOYSA-N 449.602 2.191 0 40 IEAB CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)Cc1ccccc1N1CCOCC1 23805097 KDOCDBQFSOMFFL-UHFFFAOYSA-N 438.572 2.426 0 40 IEAB Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)o1 27935040 RZQKSQHYTQCLJK-UHFFFAOYSA-N 442.419 2.429 0 40 IEAB COCCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 30867043 BQBSDHRSAJJABM-UHFFFAOYSA-N 433.368 2.144 0 40 IEAB COc1ccc(OCCN2CCN([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 32512093 DRMMDDCANFHENT-SFHVURJKSA-N 441.528 2.125 0 40 IEAB CCn1c(=O)n(CCC(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)c2ccccc21 32850634 SDDIZOUKQUEBHU-QFIPXVFZSA-N 437.496 2.356 0 40 IEAB O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32860004 CXWPBUDIECGJBH-LJQANCHMSA-N 432.480 2.372 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2C)c1 34720681 CDMFXRJIXGDKRR-UHFFFAOYSA-N 443.485 2.246 0 40 IEAB O=S(=O)(c1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1)N1CCCC1 35311614 XPDWBFNIHZRZCW-UHFFFAOYSA-N 441.619 2.110 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2nnn(OCC(=O)N(CC(C)C)CC(C)C)c2c1 36187200 MNSVQYMRFMQVQV-UHFFFAOYSA-N 439.582 2.031 0 40 IEAB CCSc1nc(NCC(C)C)c2cnn(CCNC(=O)c3cn(C)nc3OC)c2n1 36660486 IZBYAUDAHRVCSA-UHFFFAOYSA-N 432.554 2.178 0 40 IEAB CN(C)C[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)[C@@H](O)c1ccccc1 40121723 DOOSHEHHYYYXPI-IRLDBZIGSA-N 440.544 2.192 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1nc2ccccc2n1C(F)F 48235084 GWVAUHUZFCXQKN-SECBINFHSA-N 435.412 2.001 0 40 IEAB CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)CC(C)C 48355330 YDDDOQRZIOJRSK-IBGZPJMESA-N 427.553 2.486 0 40 IEAB O=C([C@H]1COCC(=O)N1Cc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 70641569 OYVYXJMDHXGEQM-GOSISDBHSA-N 448.445 2.177 0 40 IEAB CCCOc1c(Cl)cc(C(=O)Nc2ccn(CC(=O)NCCN(C)C)n2)cc1OC 78825053 DXIDKRFJYUNFBF-UHFFFAOYSA-N 437.928 2.264 0 40 IEAB Cc1nc(C(=O)N2CCN(c3ccc(N4CCCC[C@@H]4C)nn3)CC2)cc(-n2cccn2)n1 90607690 IBSYCTKDVUGYAJ-KRWDZBQOSA-N 447.547 2.102 0 40 IEAB O=c1c2cc(F)ccc2ncn1CCNS(=O)(=O)c1ccc(Br)cc1 95480049 SWELSHCSJNGNFZ-UHFFFAOYSA-N 426.267 2.277 0 40 IEAB CCC(CC)C(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 96145910 NMXWFLPHQSBQER-OALUTQOASA-N 437.606 2.427 0 40 IEAB Cc1c(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 113940867 WTSRTZRYJMMLRR-OAHLLOKOSA-N 446.504 2.417 0 40 IEAB Cc1ccc(/C=C/C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224434154 OXHADJHDWLLDHN-IZZDOVSWSA-N 430.526 2.224 0 40 IEAB CCOC(=O)CN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224826552 XQBMZUVOIGHBAU-UHFFFAOYSA-N 435.454 2.003 0 40 IEAB S=C(NCc1cccnc1)Nc1nc(Sc2ncccn2)cc(N2CCOCC2)n1 225940213 CIOMQJJNIQJZEL-UHFFFAOYSA-N 440.558 2.136 0 40 IEAB CC(C)CN1C(=O)C2(CCN(C(=O)[C@H](N)CCCCN)CC2)C[C@@H](O)[C@@H]1c1ccccc1 643550273 AXOJQJJZTXXYEH-VSKRKVRLSA-N 444.620 2.042 0 40 IEAB COc1ccc(NS(C)(=O)=O)cc1NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 1556710145 XOAVVQHQGOJGLW-KBPBESRZSA-N 434.518 2.328 0 40 IEAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2N)c(OC)c1 2438779 GZOSUDSXABGLKW-UHFFFAOYSA-N 445.501 2.424 0 40 IEAB COc1ccccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 6125364 SLZAZSDXZIBTTN-UHFFFAOYSA-N 427.501 2.386 0 40 IEAB C[C@@H](OC(=O)Cn1nc(O)c2ccccc2c1=O)C(=O)Nc1ccc(Br)cc1 9032549 SYOZAYUZSATPLH-LLVKDONJSA-N 446.257 2.435 0 40 IEAB Cc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1Cc1ccccc1 9365829 NXUAZIIBDQCYPE-UHFFFAOYSA-N 428.518 2.013 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)NC(=O)C2CCCCC2)C(C)C)cc1 9630678 BKDURKNFSNUSEW-IBGZPJMESA-N 438.546 2.064 0 40 IEAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cn3c(C)cccc3n2)c(=O)[nH]c1=O 9715243 SJYQRNADFZBCLP-UHFFFAOYSA-N 436.472 2.315 0 40 IEAB Cc1cccc(NC(=O)[C@H](C)OC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)c1 9787600 FONRYOHPEOMFLD-HNNXBMFYSA-N 429.498 2.384 0 40 IEAB O=C(C[C@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NC[C@@H]1CCCO1 12233364 GYTRUJUUEBRDOT-GJZGRUSLSA-N 429.477 2.053 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1c(F)cccc1Cl 12422803 ZKIICIPDHYIWKW-UHFFFAOYSA-N 439.940 2.357 0 40 IEAB CC(C)c1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1 12577259 WKOGLHKYUSJQBQ-UHFFFAOYSA-N 438.513 2.319 0 40 IEAB CC(C)Cc1ccc([C@@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)C)cc1 12603109 GOIUDCQMGQIBMP-IBGZPJMESA-N 425.533 2.146 0 40 IEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cccc(I)c1 12607974 DZBPBVURKAIYCK-UHFFFAOYSA-N 435.221 2.323 0 40 IEAB CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC(C)(C)N1CCOCC1 12974393 LSXXJJUKXBAZMV-QGZVFWFLSA-N 427.998 2.419 0 40 IEAB COCCCNC(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1 13008401 JFDKZLDIQYPWIC-UHFFFAOYSA-N 427.548 2.247 0 40 IEAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@]3(CCCc4ccccc43)C1=O)OCO2 13014031 ZVOPOXMUMMCMCW-QHCPKHFHSA-N 435.436 2.340 0 40 IEAB COc1ccc(/C=c2/sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)cc1 13513783 ZUJZDOJMHLGUPE-RQZCQDPDSA-N 425.466 2.400 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2F)cc1 14232606 GTALBBUOSBSENZ-VXGBXAGGSA-N 425.457 2.467 0 40 IEAB O=C1NCCN(C(=O)c2ccccc2Cl)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14607223 ZUBZEXUXQKDQKF-HXUWFJFHSA-N 440.931 2.020 0 40 IEAB COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc(OC)c1OC 15137065 CEXBKWSJTARQHK-UHFFFAOYSA-N 434.514 2.427 0 40 IEAB C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)c1ccc(-n2ccnc2)cc1 16045809 FVAXJSPBIXVWOK-VOIUYBSRSA-N 429.480 2.443 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)NCCc1cc(N(C)C)nc(-c2ccccn2)n1 19584321 KNZBVJZQVBWAJN-UHFFFAOYSA-N 431.493 2.273 0 40 IEAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3F)CC1)C2=O 19699431 XMCRAQXPANQOOC-UHFFFAOYSA-N 430.524 2.359 0 40 IEAB CNC(=O)c1sc2ncccc2c1[C@@H]1CN(C(=O)Cc2nc(C(C)C)n[nH]2)CCO1 19702755 PBPRWBNFXQAQRG-ZDUSSCGKSA-N 428.518 2.040 0 40 IEAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(CN3CCOCC3)cc2)ncc1C(=O)N(C)C 19756009 XMUIOZCIQHAMEA-OAQYLSRUSA-N 437.544 2.296 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc2c(c1)OCO2 20762664 SUBBBFBYXBEEFD-KBXCAEBGSA-N 432.502 2.090 0 40 IEAB biogenic COc1c(Br)cc(Br)cc1CNC[C@H](O)CN1CCOCC1 21841888 PCLLFCVQQPPMDQ-ZDUSSCGKSA-N 438.160 2.003 0 40 IEAB O=C(COc1ccc(Cl)cc1)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22227526 JLLSCEZBHOPVGC-UHFFFAOYSA-N 438.933 2.099 0 40 IEAB COc1cc(C(=O)OCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc2c1OCCO2 26176117 MYWKJKCHVUQISA-UHFFFAOYSA-N 429.381 2.193 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCSCc2c(F)cccc2Cl)C1 30869246 VGORROWFAFVWHO-CYBMUJFWSA-N 437.990 2.347 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)N[C@@H](C)CCN2CCN(c3ccccc3)CC2)c1 32916443 CGMBCZMYMULIQF-SFHVURJKSA-N 431.558 2.352 0 40 IEAB COC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 35177407 TYGYXVYLIGYUMG-NSHDSACASA-N 426.878 2.441 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 59291704 GIKVNXQOOQNTRF-GOSISDBHSA-N 433.530 2.107 0 40 IEAB NC(=O)C[C@H]1C[C@@H](C(=O)Nc2ccccc2)[C@]2(N1)C(=O)Nc1ccc(Br)cc12 62001542 ADORHVNSIGQANF-AFBRZQFHSA-N 443.301 2.089 0 40 IEAB biogenic Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 96104201 QDLNJQYYXRRCMZ-UHFFFAOYSA-N 440.525 2.473 0 40 IEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)CN(c1ccccc1F)S(C)(=O)=O 100143035 XJIINCBXCBTYPF-RHSMWYFYSA-N 443.504 2.231 0 40 IEAB O=C1C[C@H](NC2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)cc1 100227727 QXPAJEDHDJWFNJ-IBGZPJMESA-N 447.944 2.415 0 40 IEAB COCC(=O)N1CCc2c(nc3cc([C@@H]4CCCN4Cc4ccc(F)cc4)nn3c2O)C1 100234429 NANCNMWNDBBTBH-FQEVSTJZSA-N 439.491 2.442 0 40 IEAB Cc1cc(C(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)c(=O)[nH]c1C 105715790 PERVFXDJIHYUNN-UHFFFAOYSA-N 425.533 2.255 0 40 IEAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224009750 CHIUXJPRSLGVGM-KRWDZBQOSA-N 448.541 2.424 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2cc(C)cc(C)c2)S(C)(=O)=O)cc1OC 224064019 CBACVGLBOIQLQI-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](CC)Oc2ccc(N(C)S(C)(=O)=O)cc2)CC1 225423726 MTJRMDMYRJBDMS-GOSISDBHSA-N 426.535 2.042 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 408623544 RTLWIVLCLWJURO-UHFFFAOYSA-N 447.557 2.474 0 40 IEAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 408704699 RPFBREICTJHRMP-CYBMUJFWSA-N 434.470 2.038 0 40 IEAB COCCCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1 409005230 SOZXNVVBZVVXNM-UHFFFAOYSA-N 428.551 2.180 0 40 IEAB CS(=O)(=O)Nc1cncc(C(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 502232073 GWQZHLBGFMQMFJ-GOSISDBHSA-N 431.518 2.270 0 40 IEAB O=C(NC1CC2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)C1)[C@@H]1CCCS1(=O)=O 585102760 DZFXNSNKKQAPHU-NRFANRHFSA-N 442.585 2.310 0 40 IEAB Cc1ccc(C(=O)N2CCC3(CCCCOC[C@H](C)NC(=O)[C@H](C)NC3=O)CC2)cc1 643565331 WWNUYODHVTUPNX-OALUTQOASA-N 429.561 2.427 0 40 IEAB CC(=O)N1CC[C@H]2CC[C@@H](CN(C3CCOCC3)Cc3ccccc31)N2S(C)(=O)=O 2037949654 LHARRPHBPCGCIX-RTWAWAEBSA-N 435.590 2.217 0 40 IEAB CC(C)N(C)CC(=O)N1CCO[C@]2(C1)C(=O)N(Cc1cccnc1)C[C@H]2c1ccccc1 2055785677 YRAPZNCAJWDQMA-DHLKQENFSA-N 436.556 2.145 0 40 IEAB COc1cc2c(=O)c(-c3ccc(OC(=O)[C@H](C)O)cc3)coc2cc1OC(=O)[C@@H](C)O 2060990717 VHLGZVLPSYCFEK-NWDGAFQWSA-N 428.393 2.041 0 40 IEAB CCOc1ccccc1N(CC(=O)N1CCN(c2ccccc2F)CC1)S(C)(=O)=O 916357 NCNNCEANZHRGKN-UHFFFAOYSA-N 435.521 2.339 0 40 IEAB CN(C)S(=O)(=O)c1cccc(CSc2nnc(COc3ccccc3F)n2N)c1 8824532 VJXQSEGOBFUWBA-UHFFFAOYSA-N 437.522 2.253 0 40 IEAB CN(CC(=O)OCC(=O)c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1 9662544 MOLSMGLQRBXKMY-UHFFFAOYSA-N 439.873 2.158 0 40 IEAB COC(=O)Cn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cc(NC(C)=O)ccc21 9809221 WQLRDDRJIVJHHP-JEBJBBSMSA-N 441.465 2.102 0 40 IEAB COc1ccc(N([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)S(C)(=O)=O)cc1Cl 10332347 RCPAAJGTCOOJPC-LLVKDONJSA-N 425.894 2.241 0 40 IEAB CN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 12794855 YVYJOLODKAXTKI-WMZOPIPTSA-N 434.489 2.277 0 40 IEAB COc1cc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)ccc1OCC(N)=O 19021102 ANTRULOQZBUUMP-UHFFFAOYSA-N 429.492 2.326 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)Cc3ccsc3)[nH]c2=O)C1 19404988 DFGGLFBCPWWODI-IBGZPJMESA-N 449.536 2.331 0 40 IEAB CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)[C@H](C)CN4CCOCC4)CC3)nc21 19739486 LELGFZWMCJTZGK-QGZVFWFLSA-N 443.592 2.149 0 40 IEAB NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)cc1 20008072 UFLVHKPTKQXCPM-FQEVSTJZSA-N 441.484 2.453 0 40 IEAB O=C(COc1ccc(F)cc1)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134330 BIEVFTDIWZBPQP-UHFFFAOYSA-N 430.871 2.178 0 40 IEAB COc1ccc(/C=C/C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 32744698 KRRRDQQNZVWPBK-WEVVVXLNSA-N 434.489 2.185 0 40 IEAB COC(=O)c1cc(NC(=O)CN(C)Cc2cc(F)cc3c2OCOC3)cc(C(=O)OC)c1 32937638 VJDHCZAEWMSKEP-UHFFFAOYSA-N 446.431 2.336 0 40 IEAB CC(C)OC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4[C@@H]3Sc3[nH]c(=O)sc3C4(C)C)[C@H]2C1=O 35053101 ZGAHQIAOQBOTOK-NJDXKOEESA-N 436.555 2.007 0 40 IEAB O=C(NC[C@@H]1CCCO1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2CN1 36548229 MOTHUJKQNSAOTL-ZTCOLXNVSA-N 446.551 2.205 0 40 IEAB COc1ccc(CNC(=O)CC[C@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 36593823 GLIPGAKZYAWJMU-QGZVFWFLSA-N 425.441 2.145 0 40 IEAB O=C(c1cn(-c2cc(N3CCSCC3)ncn2)cn1)N1CCN(c2ccccc2)CC1 49411318 FPKZALSOQSCYDU-UHFFFAOYSA-N 435.557 2.178 0 40 IEAB CCOC(=O)CCc1c(C)c2ccc3c(c2oc1=O)CN([C@@]1(C)CCS(=O)(=O)C1)CO3 57160204 YBDDZQUVZSOMLR-QFIPXVFZSA-N 449.525 2.326 0 40 IEAB COc1cc(C(C)=O)ccc1OCC(=O)NCCn1cnc(-c2ccc(F)cc2)cc1=O 70637537 TVDFFKBDPGEYET-UHFFFAOYSA-N 439.443 2.456 0 40 IEAB O=C(CN1CC[C@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCCn1ccnc1 72327689 WWYUYXSVAZWNGD-OAQYLSRUSA-N 430.892 2.069 0 40 IEAB O=C(OCCCN1CCOCC1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 95407060 OZFLPPRDQRWDIU-UHFFFAOYSA-N 437.345 2.313 0 40 IEAB Cc1c(C(=O)N2CCN(C3CCN(C)CC3)[C@@H](C)C2)nnn1-c1cccc2cccnc12 95455957 QMJNGUPAIHHZTB-KRWDZBQOSA-N 433.560 2.364 0 40 IEAB Cc1cc(O)n2nc(C3CCN(C(=O)c4ccc(CN5CCOCC5)o4)CC3)cc2n1 100137445 WOZFPVFLDYKZAO-UHFFFAOYSA-N 425.489 2.188 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC 101169893 MZQVZGABVXUJDT-UXHICEINSA-N 437.456 2.253 0 40 IEAB COC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]32)cc1 101170646 NDWPKLAUBYQPOC-OALUTQOASA-N 435.440 2.022 0 40 IEAB C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104257718 SMCSVMONGRDJLM-MCZMQQNQSA-N 428.938 2.474 0 40 IEAB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 220214550 KVYHGWMFWILHMG-ZDUSSCGKSA-N 436.486 2.268 0 40 IEAB C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 222722409 QWRNQBLRHSKZPJ-MRXNPFEDSA-N 446.525 2.111 0 40 IEAB CC(C)Sc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)s1 224849763 RMCFMWLONYKNIE-UHFFFAOYSA-N 428.561 2.312 0 40 IEAB CN(CC(=O)NC[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc2ccccc2c1 225272030 PWRVFKUERYWNSP-GOSISDBHSA-N 426.494 2.417 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225760020 DUQZPCKGZCZEME-UHFFFAOYSA-N 449.916 2.378 0 40 IEAB Cc1nc(C(=O)N2CCC3(CC2)CN(C)C(=O)c2cnc(N4CCCCC4)nc23)cs1 306141998 WMGKMZMMMAPSPD-UHFFFAOYSA-N 440.573 2.491 0 40 IEAB COC(=O)C[C@@H](c1ccc(C(=O)OC)cc1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604404470 HOQATRQFACSVIT-SFHVURJKSA-N 439.468 2.310 0 40 IEAB biogenic Cc1cc(C)c(S(=O)(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c(C)c1NS(C)(=O)=O 608043648 RUHSTTGEAYLIEP-UHFFFAOYSA-N 445.607 2.003 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1=O 643555746 BFERTEFDBLBZNA-HSZRJFAPSA-N 426.517 2.275 0 40 IEAB COc1ccc(CCNC(=O)CC2(c3oc(C)cc(=O)c3O)CCOCC2)cc1OC 1547138979 IWSVVXAFAJGUJE-UHFFFAOYSA-N 431.485 2.468 0 40 IEAB biogenic CNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)C4CCN(C)CC4)C3)ccc2c1N 1848353186 QDHGPOVQILKNER-QFIPXVFZSA-N 429.590 2.460 0 40 IEAB CCOC(=O)C1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 785457 BXVSKXWPXKQTOL-UHFFFAOYSA-N 436.452 2.273 0 40 IEAB COC(=O)COC(=O)CCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1OC 3362879 CRPRFTSCXUQNTJ-UHFFFAOYSA-N 426.425 2.052 0 40 IEAB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1ccc2c(c1)OCCO2 3381054 HWZPELSJAXHOLC-UHFFFAOYSA-N 427.381 2.250 0 40 IEAB C[C@H]1C(=O)C[C@@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@H]12 8764739 OACAZKAYRUIRND-MNNNIMOASA-N 425.466 2.175 0 40 IEAB C[C@]1(CSc2ccccc2C(=O)Nc2ccc(N3CCOCC3)cc2)NC(=O)NC1=O 8779717 RNXWQDNZZACKQQ-JOCHJYFZSA-N 440.525 2.466 0 40 IEAB O=C(Nc1ccn([C@@H]2C[C@H](O)[C@H](COC(=O)c3ccccc3)O2)c(=O)n1)c1ccccc1 8925910 ADBLMNPUSHTBKL-BJLQDIEVSA-N 435.436 2.001 0 40 IEAB COCCn1c(Cc2ccccc2)nnc1SCC(=O)NC(=O)NCc1ccco1 9884684 OSZKOMRFQZKNSL-UHFFFAOYSA-N 429.502 2.226 0 40 IEAB CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1 10754542 NAIIBWSBSHMSDQ-UHFFFAOYSA-N 437.606 2.415 0 40 IEAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1 12973337 GUMJOOSUNYTDDZ-MSOLQXFVSA-N 430.526 2.260 0 40 IEAB CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1 13062994 JVRFKSDAGKKDRJ-UHFFFAOYSA-N 449.916 2.328 0 40 IEAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1 13151059 VEHZSISVGBEGBR-HXUWFJFHSA-N 447.557 2.424 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nnc(-c4cc(C)nn4C)o3)C2)cc1 13615086 PXIQSFYLRRLLHH-HNNXBMFYSA-N 444.517 2.126 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 13685144 ARBNNRDPLWTYSP-KRWDZBQOSA-N 445.541 2.163 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 14248310 AJQDTQTYHXFDBE-IBGZPJMESA-N 434.562 2.111 0 40 IEAB CCOc1ccc(N2C(=O)C[C@@H](N3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 15321529 RLHZBPXHORHYBT-OAQYLSRUSA-N 448.523 2.146 0 40 IEAB Cc1cc(OCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ccc1Cl 16179616 RAHLOLFFILSLBO-UHFFFAOYSA-N 432.933 2.441 0 40 IEAB COc1ccc2nc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCN3S(C)(=O)=O)sc2c1 16847977 BMLQXXUHKPRBJT-GDBMZVCRSA-N 439.559 2.241 0 40 IEAB O=C(NCc1ccccc1)c1ccc(=O)n(CC(=O)N2CCCC[C@H]2CN2CCCC2)c1 19751321 RPMFMCBKHDKABW-QFIPXVFZSA-N 436.556 2.255 0 40 IEAB Cn1cc(C(=O)N2CCOCC2)c(CC2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 19754961 JMUHTGMFNVYEMR-UHFFFAOYSA-N 449.555 2.398 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)Cc2ccc3c(c2)OCCO3)cc1 22227429 ISZRENBWQJEILX-UHFFFAOYSA-N 432.542 2.390 0 40 IEAB CCOC(=O)C1=C(COC(=O)[C@@H]2CC(=O)N(c3ccccc3[C@H](C)CC)C2)NC(=O)NC1 29589507 OZRMCIVLGQBDRR-HUUCEWRRSA-N 443.500 2.226 0 40 IEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCCNC1=NS(=O)(=O)c2ccccc21 30550532 MZBHFKUKLOCPNL-UHFFFAOYSA-N 437.525 2.350 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 32646597 WMPMNVPGWKAXKQ-SMDDNHRTSA-N 429.336 2.213 0 40 IEAB C[C@@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C(=O)Nc1nccs1 36579880 SAJNQECJZKPJBE-CYBMUJFWSA-N 426.502 2.119 0 40 IEAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 43726910 VVTAFZDVSGBJBE-MHORFTMASA-N 438.281 2.450 0 40 IEAB CS(=O)(=O)Cc1ccc(CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 48331731 CWRJQWPFUCUAHL-UHFFFAOYSA-N 426.498 2.158 0 40 IEAB COc1ccc(CNC(=O)Cn2cnc3c(c2=O)CN(Cc2ccc(C)cc2)CC3)cc1 49400911 WREUPXTUBLEQBB-UHFFFAOYSA-N 432.524 2.435 0 40 IEAB NC(=O)Cn1c(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)nc2ccccc2c1=O 58160482 OSZMFXGTKQQLPN-LJQANCHMSA-N 434.496 2.380 0 40 IEAB COc1ccc(C)cc1-n1nnnc1SC[C@H](O)CN1CCN(c2ccccc2)CC1 58438339 LFMVYLPWNFHPQC-LJQANCHMSA-N 440.573 2.255 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)N[C@H](C)c4ccc(C)cc4)c(=O)c3s2)CC1 67319318 RCTMZJXLVSYHPF-MRXNPFEDSA-N 440.573 2.181 0 40 IEAB O=C(CN1CC[C@@]2(CCC1=O)CC(=O)c1cc(Cl)ccc1O2)NCCc1cn[nH]c1 72327692 OGKCFQOOMINVQN-NRFANRHFSA-N 430.892 2.139 0 40 IEAB CN(Cc1nc(-c2cccs2)no1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219449167 MXPMSBFLWBHAPL-UHFFFAOYSA-N 446.510 2.381 0 40 IEAB COc1cccc(N([C@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)S(C)(=O)=O)c1 220165516 TWHXNZFNOAQOAW-MRXNPFEDSA-N 435.521 2.338 0 40 IEAB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224826284 OSWBDMFYEOSNMP-UHFFFAOYSA-N 449.481 2.393 0 40 IEAB COc1ccccc1[C@H]1CN(CC(=O)NCCc2nc3ccccc3[nH]2)CCN1C(C)=O 257310265 UEKPOLAQYKBHQE-OAQYLSRUSA-N 435.528 2.136 0 40 IEAB O=C(C[C@H]1CN(C(=O)Cc2cccnc2)CC[C@@H]1Oc1ccc(F)cc1)N1CCOCC1 257314330 UWLSZYRGZRPVKY-UGKGYDQZSA-N 441.503 2.308 0 40 IEAB CC(C)OCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710215 SIBPRQSUKFPECY-UHFFFAOYSA-N 441.484 2.215 0 40 IEAB COc1ncc(CN2CCO[C@@]3(CO[C@@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cc1C 585102144 CJYSFMQVJYINQR-NFBKMPQASA-N 447.482 2.353 0 40 IEAB CCOc1ccc(N2CCN(CC(=O)N3CCC[C@@H](Oc4ncc(F)cn4)C3)C2=O)cc1 585147261 KMNTVUUEGSRGOP-LJQANCHMSA-N 443.479 2.326 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)CC1 604419077 XTMAVIVNTRXLFK-NRFANRHFSA-N 448.479 2.102 0 40 IEAB COc1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 1363774 ZZJLCEDFRYLSKC-MRXNPFEDSA-N 432.498 2.141 0 40 IEAB COc1cc(/C=c2\sc3n(c2=O)CN(c2ccc(C)cc2)CN=3)cc(OC)c1OC 2247794 IYOKTXRTTRWFGG-ODLFYWEKSA-N 425.510 2.128 0 40 IEAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NCC(F)(F)F 3323174 SYMXIZWJSVZDGF-INIZCTEOSA-N 434.370 2.116 0 40 IEAB CCCOc1c(Cl)cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc1OCC 5536763 HMLPRZGLKKBPNH-UHFFFAOYSA-N 426.897 2.408 0 40 IEAB COc1ccc(OC)c2c1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)O)c1ccccc1)n2C 8789999 RQJIDOSWDOQYOX-ORAYPTAESA-N 439.468 2.256 0 40 IEAB biogenic C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccn2)CC1 8938367 RBQCMBBNCBHZNB-GOSISDBHSA-N 443.573 2.015 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2cc3c4c(c2)CC(=O)N4CCC3)cc1 9245636 XUFBSCRATHTNLV-UHFFFAOYSA-N 441.505 2.420 0 40 IEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)C1 9507938 AXFGPWUJQQQPAF-QZTJIDSGSA-N 443.573 2.106 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2nnc3n2CCN3c2ccc(C)cc2)CC1 9651567 BOTQXPPGPUANTB-UHFFFAOYSA-N 430.534 2.131 0 40 IEAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 9914588 OPBIUAYHGGJCQR-UHFFFAOYSA-N 443.533 2.101 0 40 IEAB CCOC(=O)c1nnn(CC(=O)Nc2cccc(Br)c2)c1C(=O)OCC 9940745 XVKANLMVZDRSMM-UHFFFAOYSA-N 425.239 2.033 0 40 IEAB CCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1 10705375 UNHHFGLYHMRDKW-UHFFFAOYSA-N 448.541 2.220 0 40 IEAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(N2C(=O)CCS2(=O)=O)cc1 11998125 QZQGSPJOEDKCEH-FQEVSTJZSA-N 427.526 2.320 0 40 IEAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1 12554914 ZXMFBMLQDFHKPD-UHFFFAOYSA-N 426.904 2.391 0 40 IEAB COc1ccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1S(=O)(=O)N(C)C 12689211 IDZNVLWZGKYUPF-OAHLLOKOSA-N 431.514 2.475 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1C 14069384 YYRHIBLPWUZWGY-UHFFFAOYSA-N 437.606 2.123 0 40 IEAB CSCC[C@@H](C(=O)Nc1cccc(-c2nnnn2C)c1)N1C(=O)c2ccccc2C1=O 14517468 QVHHTFTXUXWQBS-KRWDZBQOSA-N 436.497 2.234 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)C[C@@H](C)n3cccn3)[nH]c2=O)C1 19501642 XASUFDBVMVSZIU-APWZRJJASA-N 440.548 2.356 0 40 IEAB COCCn1nnnc1[C@H](c1ccccc1OC)N1CCN(c2ccc(F)cc2)CC1 19594119 RFEAXLYYRPGYGN-NRFANRHFSA-N 426.496 2.379 0 40 IEAB COc1ccc(CCC(=O)N2Cc3cn(C)nc3[C@H](C(=O)NCc3ccccn3)C2)cc1 19696096 JPYQQGQAZVNKFR-OAQYLSRUSA-N 433.512 2.199 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1ncc(C(=O)NCc2ccc(F)cc2)c(C)n1 19764402 ZLFREXAJFUXTTQ-LJQANCHMSA-N 427.480 2.044 0 40 IEAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1)C(=O)OC 20737587 UIDPEWTZKKKZDR-YJBOKZPZSA-N 434.880 2.215 0 40 IEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(Cc2nnnn2-c2ccccc2)CC1 21149372 NEZWCSPDOMENNL-UHFFFAOYSA-N 438.557 2.048 0 40 IEAB CCc1c(C(=O)Nc2cccc(OCC(=O)N(CC)CC)c2)cnn1-c1ccc(O)nn1 27442965 YNMQAUVLQMASRP-UHFFFAOYSA-N 438.488 2.430 0 40 IEAB CC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1 32090340 WEPGXFKWIVJLJP-GOSISDBHSA-N 430.486 2.206 0 40 IEAB CN1C(=O)COc2ccc(C(=O)Cn3cnc4ccc(Br)cc4c3=O)cc21 36357689 OGFACVGLOPHSQX-UHFFFAOYSA-N 428.242 2.397 0 40 IEAB CN(C)c1ncccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 40133999 NLJHIIMJGRXTNT-UHFFFAOYSA-N 427.324 2.169 0 40 IEAB O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(C(=O)COc2ccccc2)CC1 43941758 QADVCTRJAYOZPX-UHFFFAOYSA-N 443.931 2.390 0 40 IEAB COc1ccc(N[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 57713750 IVDAEEGVYHHXKR-BRWVUGGUSA-N 439.578 2.021 0 40 IEAB Cc1nc(N)cc(N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)n1 72338414 CCLRSKSZHZZJSB-SFHVURJKSA-N 432.532 2.440 0 40 IEAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)Nc1cccc(N2CCCCS2(=O)=O)c1 72403547 SNBGVEKPNAQGAS-GOSISDBHSA-N 442.497 2.345 0 40 IEAB Cc1nc2ncc3c(=O)n(CC(=O)NCCSc4ccc(Cl)cc4)ccc3n2n1 79494960 NQMTZXGLSXXMJZ-UHFFFAOYSA-N 428.905 2.310 0 40 IEAB O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1n[nH]c(CCc2ccccc2)n1 96118593 BFRWOJZCEWYFLV-SFHVURJKSA-N 432.484 2.082 0 40 IEAB CCOC(=O)[C@@H]1CCCN(CC2=C(C(=O)OC)[C@H](c3ccccc3OCC)NC(=O)N2)C1 106615848 KUPKEJMAXAJKGG-QRWLVFNGSA-N 445.516 2.141 0 40 IEAB CN(CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 219717978 RWIYVHTVLLCKJX-UHFFFAOYSA-N 445.541 2.198 0 40 IEAB COc1ccc(CCCNC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1OC 220096811 BSCGCCNGPLJFFE-UHFFFAOYSA-N 442.484 2.497 0 40 IEAB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCCSc1ncn[nH]1 222797082 WVGXGGVPLWAKTE-UHFFFAOYSA-N 447.542 2.201 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)c(Cl)c1 408636134 LOGVDQHWVVDKFM-UHFFFAOYSA-N 426.922 2.002 0 40 IEAB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408665257 REMJWRZNYZSMQJ-WPCMGHOJSA-N 438.480 2.203 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 506701701 YAQRJNYZRNJPDV-SRBZOADZSA-N 443.978 2.103 0 40 IEAB COc1cc2cc(C(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)[nH]c2cc1OC 524732191 FJDWTFLDAFJUAK-WBVHZDCISA-N 436.512 2.196 0 40 IEAB biogenic CCS(=O)(=O)N1CCC(NC(=O)N[C@H](C)Cc2ccccc2Br)CC1 536084523 UCYBDVRUEXQLFQ-CYBMUJFWSA-N 432.384 2.493 0 40 IEAB COc1ncc(CN2CCO[C@]3(CO[C@@H](C(=O)NCc4ccc(C)cc4)C3)C2)cc1C 2056226232 NMQMUVKGHUSHSK-QPPBQGQZSA-N 425.529 2.383 0 40 IEAB CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(C)(=O)=O 811796 XDEXCWCSTSBFGI-UHFFFAOYSA-N 437.543 2.119 0 40 IEAB COc1ccc(CCN(C)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1OC 3334988 KHBQWNBCIDHWLE-QHCPKHFHSA-N 425.485 2.172 0 40 IEAB CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)COc4ccccc4)CO[C@H]23)cc1 4235805 IKDCPVZEJRJAOC-YVNJGZBMSA-N 440.452 2.168 0 40 IEAB biogenic,in-vitro NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCC2)c2cnc3ccccc3c2)c1N 6475213 RRQBFVFKHOVRJW-UHFFFAOYSA-N 438.513 2.078 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCOCC2)n(C)c(=O)n3C)c(C)c1 8594384 AKYIDWYRBKQFJU-UHFFFAOYSA-N 430.530 2.131 0 40 IEAB CCN(C(=O)CSc1nnc2c3ccccc3n(CC)c2n1)[C@H]1CCS(=O)(=O)C1 8687514 SSTIOAQMTGNLIW-ZDUSSCGKSA-N 433.559 2.127 0 40 IEAB CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(C(C)C)c1ccc(Br)cc12 8843758 HKKMGFUTRNGPNV-INIZCTEOSA-N 425.308 2.359 0 40 IEAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 9125204 HLMTYOOJALLOTM-UHFFFAOYSA-N 437.500 2.061 0 40 IEAB Nc1nc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)nc(Nc2ccccc2)n1 9368120 BDLLZDAGFARWTO-QGZVFWFLSA-N 428.456 2.342 0 40 IEAB COc1ccc(S(=O)(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C[C@H]2CCCO2)cc1 9548230 QCTJSYNBXINURD-MRXNPFEDSA-N 429.498 2.302 0 40 IEAB COc1cn(CC(=O)Nc2ccc3c(c2)OCO3)c(CSc2nccn2C)cc1=O 10254704 FHGOHEDJDDETNF-UHFFFAOYSA-N 428.470 2.250 0 40 IEAB COC[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12 12987956 ZBINNOZNMDNNCT-GFCCVEGCSA-N 433.461 2.233 0 40 IEAB O=C(CSc1nnnn1-c1cccc(F)c1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13400838 IMDSBSIWLAQHKW-KRWDZBQOSA-N 440.460 2.187 0 40 IEAB CC[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 13749181 QKXPBVUEYZAMAX-PXNSSMCTSA-N 435.590 2.301 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CC2)c(C)c1 14342492 TVGCMSXPOHKGOK-GOSISDBHSA-N 427.526 2.262 0 40 IEAB COc1cc(CNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc(OC)c1OC 15613814 IMPLCMAKUCCHEP-LFVRLGFBSA-N 447.532 2.465 0 40 IEAB Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCC[C@@H]3c3ccccc3Cl)ccc21 21791633 MKKCFXXBJVGCGW-MRXNPFEDSA-N 433.917 2.416 0 40 IEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O 22805394 NBCOJPMYIDZLMH-OAQYLSRUSA-N 428.514 2.019 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1nnnn1CC(C)C 24755723 MDRWTMLHMNJVQY-CYBMUJFWSA-N 426.568 2.007 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)cccc2c1 32905348 QJLSXJCTWGWKJH-UHFFFAOYSA-N 437.568 2.300 0 40 IEAB C[C@@H]1CN(C2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)CCO1 40135645 AQRBPFDTAKLMLY-GOSISDBHSA-N 435.590 2.187 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 41157384 WDEZJAKRNITIMU-PMACEKPBSA-N 444.553 2.447 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1nc2cc(-c3ccc(OC)cc3)nc(C)n2c1=O 49407216 VCJCNMKEOKITGN-UHFFFAOYSA-N 447.451 2.300 0 40 IEAB COc1ccc(N2C[C@H](C(=O)Nc3cccc(-c4ccc(=O)[nH]n4)c3)CC2=O)cc1OC 58113693 BJNAKTDDYUJUNT-OAHLLOKOSA-N 434.452 2.446 0 40 IEAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@](O)(c4ccccc4)C4CC4)cc1c32 70969274 SMNVDSOEOJBOJG-MQNRADLISA-N 433.508 2.435 0 40 IEAB CC(C)[C@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1nnc2n1CCC2 72271449 OHIWDJYOCJRTOC-NRFANRHFSA-N 425.533 2.355 0 40 IEAB CC(C)(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)no1 72296574 NTENLCPQMFHWPR-UHFFFAOYSA-N 435.531 2.124 0 40 IEAB O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 89834878 NPHAJZFYFPBXQX-RBBKRZOGSA-N 430.593 2.398 0 40 IEAB NC12C3(Cl)[C@]4(Cl)C5(Cl)C6(OCCO6)C(Cl)([C@]14Cl)[C@@]2(Cl)[C@@]53Cl 104026257 SCZXBBBDPYAIBO-SQPXVNNYSA-N 432.345 2.338 0 40 IEAB CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2Cl)CC1 220008719 JFNSOAOSBALLBE-UHFFFAOYSA-N 437.905 2.257 0 40 IEAB Cc1cc(C)cc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1 224079264 RGFZTVHAOOFZHF-UHFFFAOYSA-N 432.542 2.442 0 40 IEAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224244728 YJDIKVWBLCVMEX-HXUWFJFHSA-N 436.530 2.298 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1N1C(=O)CCC1=O 225070311 CLYVXKYURZMLMT-UHFFFAOYSA-N 447.494 2.063 0 40 IEAB CC(C)c1nc2ccccc2n1CC(=O)N1CC[C@H](n2cnc3c(N)ncnc32)[C@@](C)(O)C1 257338005 YVKFUXCMBCSYSG-SBUREZEXSA-N 448.531 2.106 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4csc(C)n4)C[C@@H]2C3)cc1 306131385 KCWYRNOIXQJNRS-KBPBESRZSA-N 438.513 2.248 0 40 IEAB COC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408629573 DQLZFWLPSMADJV-CQSZACIVSA-N 440.493 2.189 0 40 IEAB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408660340 NUJUHOPNXSMHLY-BMEPFDOTSA-N 447.285 2.046 0 40 IEAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c(OC)c1 409028422 NTZUWLSXRVUBQV-UHFFFAOYSA-N 449.529 2.247 0 40 IEAB CCc1ccc(C(=O)N2CCOC[C@@H]2c2ncnn2-c2ccccc2)cc1S(C)(=O)=O 556462630 FRXMHLGJHOKMCH-LJQANCHMSA-N 440.525 2.447 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1 585147169 SFTCPOLMYWKGBI-LBPRGKRZSA-N 432.271 2.229 0 40 IEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(N)=O)C(=O)N2CCCc1nc(-c2ccncc2)no1 604419240 VKQVAGIPFAOCHU-QUZZAMIASA-N 433.468 2.290 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1=O 643555801 CDBMFJWVKIUHGC-DEOSSOPVSA-N 438.528 2.342 0 40 IEAB CC(=O)OC[C@]1(CC(=O)N2CCOCC2)CCCN1C(=O)/C=C/c1c[nH]c2ccccc12 643587045 QIISUBQJHHPXIL-PRSVDJLGSA-N 439.512 2.354 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccccc1 677629 CMJJHAMHHGQLBY-MTGKDYNDSA-N 448.500 2.195 0 40 IEAB CCCCN1C[C@H](C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1=O 8271132 IPHUYRGLCHBQEG-OAHLLOKOSA-N 425.551 2.313 0 40 IEAB COc1ccc(CCN2C(=O)[C@@](NC(=O)CC(C)C)(C(F)(F)F)N=C2O)cc1OC 8682608 FQXPHPVPMZMOJZ-SFHVURJKSA-N 431.411 2.423 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 9227556 GJEAYWHLQSTGHV-UHFFFAOYSA-N 445.541 2.408 0 40 IEAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9570968 MGQFETFBYQPPNJ-LLVKDONJSA-N 432.818 2.263 0 40 IEAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 10228487 HUPJVQWMZBCBQF-INIZCTEOSA-N 437.512 2.366 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 12441003 NJEJESWXJLEULN-UHFFFAOYSA-N 430.461 2.116 0 40 IEAB NC(=O)CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccc1F 12677573 KJKISYQDQUYUHJ-FQEVSTJZSA-N 443.500 2.208 0 40 IEAB Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 13020194 AGICPOSFMVEDJL-UHFFFAOYSA-N 430.452 2.202 0 40 IEAB O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13495642 HLSPVVLSZKIGJD-QGZVFWFLSA-N 425.460 2.252 0 40 IEAB CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)C1CCCCC1 13513481 JDYVGTDKDWMSME-UHFFFAOYSA-N 446.577 2.244 0 40 IEAB COc1ccc(CC[C@]2(C)NC(=O)N([C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1 14242578 JTPUQNZCLPGHBP-FATZIPQQSA-N 438.484 2.064 0 40 IEAB CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)CN1C(=O)CN(C)C1=O 16695739 XGVCLWFKSIZZRY-UHFFFAOYSA-N 448.829 2.428 0 40 IEAB O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 19014596 SYIIXNQTWCAXGS-VQTJNVASSA-N 442.560 2.468 0 40 IEAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C2CCN(C(=O)[C@H]3CCCO3)CC2)on1 19122813 SXPGOMZHHOILTF-LJQANCHMSA-N 440.548 2.077 0 40 IEAB O=C(c1cccnc1)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccncc3)[nH]c2=O)C1 19337785 UFAPLJMCQBAGKZ-HXUWFJFHSA-N 444.495 2.126 0 40 IEAB Cc1ncc(C(=O)N2CCOCC2)c([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2C)n1 19766944 TTYNRLSHNDPCEU-SFHVURJKSA-N 448.520 2.231 0 40 IEAB COc1ccc2cc(CC(=O)Nc3ccc(N4CCCS4(=O)=O)cc3)c(=O)[nH]c2c1 19769980 VRIPESRJBVKMFY-UHFFFAOYSA-N 427.482 2.258 0 40 IEAB CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](CCCCNC(=O)C(F)(F)F)C(=O)O 21992211 YNLDFNVDZZGPHE-HZPDHXFCSA-N 432.439 2.443 0 40 IEAB CN1[C@@H](CCC(=O)NCc2cccs2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 22922375 GJCYNXIAYRTKOS-DWLFOUALSA-N 444.576 2.357 0 40 IEAB biogenic,in-vitro CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccn(C)c1=O 23136266 IPAHPZMGCSYQIJ-UHFFFAOYSA-N 427.486 2.166 0 40 IEAB CCNC(=O)COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 23136301 GZQOMGAIXOMWIN-CQSZACIVSA-N 431.514 2.164 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cc1 23650836 FTPXUSPBTWYHBY-SFHVURJKSA-N 446.525 2.052 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCN(c3ccccn3)CC2)cc1 32962521 GDDKDYIQKXOTFS-HXUWFJFHSA-N 430.574 2.432 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1 38486345 JJQIAALSPSDSJW-UHFFFAOYSA-N 442.479 2.329 0 40 IEAB Cc1nnsc1C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(Cl)cc1 38568303 STDHOLPUSBBSNN-UHFFFAOYSA-N 442.950 2.153 0 40 IEAB CCOc1ccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 39987735 FZXNRVLXSJFCCI-UHFFFAOYSA-N 448.589 2.472 0 40 IEAB Cc1cc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)nn1C(C)(C)C 40153936 OLQJNUDCXVIVFL-UHFFFAOYSA-N 425.599 2.214 0 40 IEAB Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC(=O)N(C)C(C)C)CC1 48333365 VDVKDSVXHUHMNY-FQEVSTJZSA-N 430.528 2.400 0 40 IEAB CC(=O)c1cccc(NC(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)c1 49409110 YWHSUWHULSZRLR-UHFFFAOYSA-N 431.514 2.110 0 40 IEAB CCOc1ccc(NC(=O)c2nnn(CC(=O)NCc3ccc4c(c3)OCO4)c2C)cc1 71327463 KZVMJTICECQWSR-UHFFFAOYSA-N 437.456 2.283 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(I)cc2)cc1 71899320 YBQBJSKPHKMSDH-UHFFFAOYSA-N 445.282 2.303 0 40 IEAB Cc1nc(N)cc(N2CCC[C@@H](c3nc(N4CCOCC4)ncc3-c3ccncc3)C2)n1 72338415 CCLRSKSZHZZJSB-GOSISDBHSA-N 432.532 2.440 0 40 IEAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)CN1C(=O)CNC1=O 72370624 KUEGEGQAFUCXBW-CQSZACIVSA-N 442.541 2.126 0 40 IEAB CCOc1cc(C(=O)N[C@H]2CCC(=O)N[C@H]2c2cnn(C)c2)cc(OCC)c1OCC 79021489 NAIHGMCQTCZAFV-JXFKEZNVSA-N 430.505 2.366 0 40 IEAB COc1ccc(-c2ccc(=O)n(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)n2)cc1OC 80329537 USWDBAFEFVLAJK-HXOBKFHXSA-N 427.501 2.081 0 40 IEAB CC(C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 100776780 ZOEKMFSWKCMZIG-JONQDZQNSA-N 427.542 2.048 0 40 IEAB COCCNS(=O)(=O)Cc1cccc(NC(=O)CCn2ncc3c(C)cccc32)c1 223237602 CBAYRSBFVQIVOJ-UHFFFAOYSA-N 430.530 2.439 0 40 IEAB O=C(c1ccccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)N1CCCC1 225079483 DWDYVLRDWGYZTE-UHFFFAOYSA-N 427.482 2.377 0 40 IEAB Cc1ccc(CN2CC[C@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)s1 306130511 JIRNUIOUBWMRII-QFIPXVFZSA-N 426.517 2.411 0 40 IEAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@H]1c1ccco1 408733339 XPSKZAJOIQUYNU-XGHXRCDJSA-N 440.477 2.214 0 40 IEAB Cc1cc(C)nc(O[C@H]2CCCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)C2)n1 585147265 LBIMPPVHKWAOQC-SFHVURJKSA-N 442.541 2.161 0 40 IEAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)c(OC)c1 1888897916 RWBFRPXYTSITQC-HOTGVXAUSA-N 430.530 2.128 0 40 IEAB CCn1nc(C)c(S(=O)(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)c1C 1888914219 ZRLHKSNNCIMHRK-CALCHBBNSA-N 428.562 2.163 0 40 IEAB CCn1cc(S(=O)(=O)N2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)nc1C 1888921663 PVTPHJOEJLCMRU-KDURUIRLSA-N 438.557 2.425 0 40 IEAB COCCNC(=O)c1c(N)n(-c2ccc(N3CCOCC3)cc2)c2nc3ccccc3nc12 2358354 YIUPATDJYVDSKM-UHFFFAOYSA-N 446.511 2.369 0 40 IEAB CCOC(=O)c1sc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(C(=O)OCC)c1C 2803840 MYYPOWNILQZNAM-UHFFFAOYSA-N 446.547 2.020 0 40 IEAB Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCSc1nc2ccccc2[nH]1 6444774 QYNQJCNSQMNTAR-UHFFFAOYSA-N 435.307 2.245 0 40 IEAB COc1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)N3CCN(C(C)=O)CC3)no2)cc1 8623676 LNNRSLVLRBLKGP-PMACEKPBSA-N 440.544 2.199 0 40 IEAB biogenic,in-vitro CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2-c2cccc(C)c2)c1=O 8903505 HPJSTBGYMCWEFH-UHFFFAOYSA-N 432.440 2.101 0 40 IEAB COc1ccc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)NCCCO)cc1OC 8964785 KXILYPFRAISXRJ-UYRXBGFRSA-N 437.496 2.465 0 40 IEAB biogenic Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1 9050018 HYALMICTGYQTRF-UHFFFAOYSA-N 429.498 2.357 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2ccccc2NC(=O)c2ccco2)NC(=O)N[C@@H]1C 9120196 ZGAVSMMZACYDQW-GFCCVEGCSA-N 427.413 2.207 0 40 IEAB O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)N[C@@H]1CCCc2ccccc21 9209134 QAKIHRLEDBPQTP-NFBKMPQASA-N 435.524 2.307 0 40 IEAB COc1cc(NC(=O)C2=CC(c3cccs3)=NS(=O)(=O)N2C)cc(OC)c1OC 9290153 OLOYFWQGLIRMFT-UHFFFAOYSA-N 437.499 2.276 0 40 IEAB CCOC(=O)C1=C(C)Nc2nc(SCC(=O)OC)nn2[C@H]1c1ccc(O)c(OC)c1 9420850 CJINYKNPAWELPX-INIZCTEOSA-N 434.474 2.109 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9491368 UYKINUQPZCXRBX-SFHVURJKSA-N 445.497 2.208 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)N2CCCC2)c1 9562901 GTGPGSBAQSILFB-UHFFFAOYSA-N 437.562 2.097 0 40 IEAB O=C([C@H]1CN(C(=O)Cc2ccc(N3CCCC3=O)cc2)c2ccccc2O1)N1CCOCC1 9580025 SNCRJNJMILOYDU-JOCHJYFZSA-N 449.507 2.009 0 40 IEAB O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 9704726 BUPJZLSOGKMOEX-UHFFFAOYSA-N 433.917 2.088 0 40 IEAB O=C(OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1)c1cc(Cl)ccn1 11225705 RIYGHKLSXOHZAR-ZDUSSCGKSA-N 428.919 2.169 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)cc1Cl 11904501 BOQDTXQUHLDBPM-UHFFFAOYSA-N 430.891 2.216 0 40 IEAB CC(C)CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)c1snc(C(N)=O)c1N 12472353 ZRTZVGMCBWPNBG-CQSZACIVSA-N 431.562 2.060 0 40 IEAB O=C(NC1CCCCC1)[C@H]1N(C2CC2)C(=O)[C@@H]2[C@@H](C(=O)NCc3ccccc3)[C@H]3C=C[C@@]12O3 12642397 FBEYRBZCIYJZCO-XMLSHEPFSA-N 449.551 2.065 0 40 IEAB COc1ccc(NC(=O)CSc2nc(=O)c(NC(=O)c3cccs3)c(N)[nH]2)cc1 12732387 HQBCPNMNQDOAJM-UHFFFAOYSA-N 431.499 2.405 0 40 IEAB Cn1cnnc1Sc1ccccc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 12772926 DIEFZNCEKKTKEP-UHFFFAOYSA-N 443.510 2.004 0 40 IEAB C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)NC(=O)c1ccccc1 12796606 ABWFPZQWXHTFTF-KRWDZBQOSA-N 426.492 2.117 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 17333434 YEXNRPYSBKHHPB-HNNXBMFYSA-N 437.949 2.364 0 40 IEAB COc1ccc(-c2nc([C@@H]3CCCN(C(=O)CCN4CCC(C)=N4)C3)[nH]c2C(N)=O)cc1 19698933 SNYSZACVUCPSKS-QGZVFWFLSA-N 438.532 2.362 0 40 IEAB COCCNC(=O)CN1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccccc1)C(=O)CC2 19740446 UIBCFHMIXRXJQK-HXUWFJFHSA-N 437.544 2.164 0 40 IEAB Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N2 19819947 OWWCRDLWSSAUKI-SNVBAGLBSA-N 437.287 2.267 0 40 IEAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCC1(N2CCOCC2)CCCCC1 22797890 MOVUSKXKAUHPST-JXMROGBWSA-N 440.632 2.469 0 40 IEAB CNS(=O)(=O)c1ccc(NC(=O)[C@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 25258775 RZFKOVRYFPKDLZ-QGZVFWFLSA-N 425.457 2.266 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1 26124947 HKAIEYJJGWUNGK-UHFFFAOYSA-N 429.542 2.166 0 40 IEAB CCOC(=O)[C@H]1CSCCN1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 26134228 JZEDUHQAJFCLMD-LJQANCHMSA-N 439.537 2.420 0 40 IEAB C[C@H]1CN(C(C)(C)CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C[C@@H](C)O1 28937157 DLKYPCOUPCTCMF-IYBDPMFKSA-N 443.635 2.153 0 40 IEAB Cc1ccc([C@H](CNc2nc(N3CCCC3)nc(N3CCCC3)n2)N2CCOCC2)o1 32906054 XYBWGKDMYGNOJX-SFHVURJKSA-N 427.553 2.459 0 40 IEAB CC(=O)Nc1cccc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)c1 36597007 MSCRFPONESHXTN-QGZVFWFLSA-N 438.440 2.417 0 40 IEAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1ccccc1CN1CCOCC1 40152320 ZNQRONJECAOSBI-UHFFFAOYSA-N 444.557 2.033 0 40 IEAB O=C1c2ccccc2C(=O)N1CCCCCc1nn2c(CN3CCOCC3)nnc2s1 40267055 BWOMKQLWMHRJDV-UHFFFAOYSA-N 440.529 2.027 0 40 IEAB COc1nn(C)cc1C(=O)N1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 49030542 HVIRGNDVKODSRN-INIZCTEOSA-N 445.951 2.283 0 40 IEAB COC(=O)c1ccccc1NC(=O)Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O 64591364 BJANVYDRKFCBIM-UHFFFAOYSA-N 446.419 2.317 0 40 IEAB COc1cccc(N([C@@H](C)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1 220187252 KZSKYDPAXJYMSK-KRWDZBQOSA-N 446.573 2.240 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2cc(OC)c(OC)c(OC)c2)cc1 222877778 TXPSYWCFRGGLRY-UHFFFAOYSA-N 436.530 2.212 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCc2ccccc2C1 223253954 KJMZRFPQCRXNBX-UHFFFAOYSA-N 444.553 2.234 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 408621783 MIAQJRHDEVFCAT-UHFFFAOYSA-N 436.486 2.204 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCCO)c(Cl)c2)cc1 408625713 UBDMZAAJFLGPAW-UHFFFAOYSA-N 442.921 2.417 0 40 IEAB Cc1ccn(C[C@](C)(O)C(=O)N2CCN(c3cccc(Br)c3)CC2)c(=O)c1 552779206 NHYOFEJSPUDVSD-FQEVSTJZSA-N 434.334 2.019 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(COc2ccc3nc(C4CC4)cn3n2)CC1 1888918207 JUTDUTXQGRZYGR-UHFFFAOYSA-N 430.534 2.426 0 40 IEAB COc1cc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C)c4)c3n2)cc(OC)c1OC 4176026 QCXPCNAUANMGRD-UHFFFAOYSA-N 435.440 2.209 0 40 IEAB CNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 8754740 GAHAEIXHJPTJHZ-UHFFFAOYSA-N 445.419 2.252 0 40 IEAB Cc1ccc(NC(=O)CSCC(=O)OCC(=O)NC(=O)Cc2ccccc2)c(C)c1 8825632 XOKTXWPUQMKQHA-UHFFFAOYSA-N 428.510 2.404 0 40 IEAB Cc1nc2cc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCOCC3)ccc2o1 8965652 XFNXITFBCXWKFN-UHFFFAOYSA-N 444.513 2.475 0 40 IEAB Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc3c(c2)OCO3)cc1 9126736 OEQIEWFUXSQLJY-UHFFFAOYSA-N 429.436 2.380 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)cc1 9210855 ZUFQWJUIIRWMAF-UHFFFAOYSA-N 442.320 2.099 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CCSc2nnnn2C2CC2)c1 9663177 WZQILRCJOLCZQX-UHFFFAOYSA-N 430.943 2.033 0 40 IEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H]3CC4(CCN(C)CC4)Oc4ccccc43)ccc21 9950372 NYHRWBQMXZZLRW-LJQANCHMSA-N 448.523 2.428 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(N2CCCC2=O)cc1 10454406 FLOWFQQKTHWJSZ-IBGZPJMESA-N 435.571 2.494 0 40 IEAB CN1C(=O)S[C@H](CC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)C1=O 12254618 AQELQGDLSSPGAN-MRXNPFEDSA-N 426.498 2.124 0 40 IEAB CCC(=O)N(c1nnc(SCC(=O)NC[C@H]2COc3ccccc3O2)s1)C1CC1 12979662 AECJEJIIGNQOAI-ZDUSSCGKSA-N 434.543 2.492 0 40 IEAB O=C(CCCSc1nc2ccccc2s1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 14116393 JNENYSXVLAAKBO-HNNXBMFYSA-N 439.628 2.500 0 40 IEAB C[C@@H]1Cc2cc([C@H](O)CN3CCN(c4ccccc4F)CC3)ccc2N1S(C)(=O)=O 19497871 SFVAUOKXAXPQFF-OPAMFIHVSA-N 433.549 2.392 0 40 IEAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2nc[nH]n2)CCO1 19580851 BAMIDZPJBNBKBH-OAQYLSRUSA-N 425.514 2.075 0 40 IEAB COc1ccc(C)cc1CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 19692684 BJCQEVWUBJHDKO-OAQYLSRUSA-N 448.527 2.459 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)c1 19694216 SKOOZXQKARLAHR-KRWDZBQOSA-N 448.527 2.332 0 40 IEAB CCn1cc(CN2CCO[C@H](c3c(C(=O)NCCOC)sc4ncccc34)C2)cn1 19703177 MMHXPMUBWMXDHG-KRWDZBQOSA-N 429.546 2.462 0 40 IEAB NC(=O)c1cc([C@H]2CN(C(=O)CCn3ncc4c3CCCC4)CCO2)nc2ccccc12 19762201 NQENWSQSGANDLJ-JOCHJYFZSA-N 433.512 2.399 0 40 IEAB Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCc2c[nH]c3ccccc23)cc1 19797018 XGJHIUYQKVQASN-SFTDATJTSA-N 432.567 2.248 0 40 IEAB C[C@@H](O)CN(C[C@@H](C)O)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 20358176 FHJBPUKUIGLFMP-ZIAGYGMSSA-N 443.573 2.133 0 40 IEAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)C1 31772942 LKCUXAKHBCBEPE-AWEZNQCLSA-N 449.959 2.102 0 40 IEAB O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1cccc(N2CCCS2(=O)=O)c1 32885473 IUVCPXPFMRCYKV-UHFFFAOYSA-N 433.873 2.245 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C[C@H](O)COCc3ccccc3F)CC2)cc1 34872026 XQUMRACPKSDRFS-FQEVSTJZSA-N 436.549 2.408 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)Nc4cccc(C)c4C)c(=O)c3s2)CC1 67225948 LJNOCRKLKGIVFM-UHFFFAOYSA-N 426.546 2.250 0 40 IEAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H](C)Sc1nncn1C 84791120 RWDKDMZUCXGODW-CYBMUJFWSA-N 440.595 2.397 0 40 IEAB O=C(Nc1cc(-n2cncn2)ncn1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 96025263 AUPNVDSERJMUDD-KRWDZBQOSA-N 427.472 2.369 0 40 IEAB CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CCN(S(=O)(=O)c1ccc(Cl)cc1)C2 96143484 NNPINRHBPBHKHO-FQEVSTJZSA-N 441.981 2.068 0 40 IEAB C[C@H]1CN(c2ccc(NC(=O)N3CCC([C@]4(C)NC(=O)NC4=O)CC3)cc2F)C[C@@H](C)O1 106921287 VZDQJNAYQQPXAY-VVYDWRJNSA-N 447.511 2.281 0 40 IEAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 224739289 ADPIQZFGAOTWBM-OAHLLOKOSA-N 433.530 2.483 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 249686469 GPYWZWZCCUUMRU-ZFNAHCARSA-N 434.876 2.250 0 40 IEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCNC(=O)c1cccnc1)[C@]1(C2)NC(=O)c2ccccc2O1 253596262 PGBMOFZXMIDILH-UGBRUMQISA-N 448.523 2.273 0 40 IEAB Cc1ccc(C(=O)N2CCc3nc4n(c(=O)c3C2)CC[C@]42CCN(C(=O)NC(C)C)C2)cc1 306135658 OWZNYHVATQANBZ-VWLOTQADSA-N 449.555 2.215 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3ccnc3)C2)cc1Cl 408591008 IJJJMMQNPBEYCW-OAHLLOKOSA-N 440.953 2.152 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)Cc2ccccc2)cc1 408620256 LHWXAQSIMONVRU-UHFFFAOYSA-N 445.585 2.024 0 40 IEAB COc1ccc(S(=O)(=O)N2C[C@H]3CN(c4nc(C)nc5c4CCC5)C[C@@H]3C2)cc1OC 1888918155 LBZGBFIUERCOTF-HZPDHXFCSA-N 444.557 2.048 0 40 IEAB CCCCc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1 4370779 ZHWXCLDOTDKUOB-CQSZACIVSA-N 425.489 2.112 0 40 IEAB O=c1[nH]c2cc3c(cc2cc1CN(CCO)C(=S)NCCc1ccccc1)OCO3 6446454 NWWSBBSCKIZRKO-UHFFFAOYSA-N 425.510 2.168 0 40 IEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9245612 WCIGRRHEDJZOEV-UHFFFAOYSA-N 426.498 2.279 0 40 IEAB COc1ccc(CC(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)cc1 9245735 UHVQJCGXPGLRIW-UHFFFAOYSA-N 434.246 2.352 0 40 IEAB CNC(=O)[C@@H]1CN(C(=O)CSc2nnc(C)n2Cc2ccccc2)c2ccccc2O1 9481220 COYROAUMTDVZPB-IBGZPJMESA-N 437.525 2.267 0 40 IEAB COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccccc3O)n2C)cc1 9615134 MZZGTMBYHVTCDV-UHFFFAOYSA-N 427.486 2.441 0 40 IEAB FC(F)(F)Oc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 9708902 YWHRNMVRTJUVOJ-UHFFFAOYSA-N 426.399 2.187 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C(N)=O)cc3)C2)cc1 10059479 VFOBMINFKPQYOA-MRXNPFEDSA-N 431.514 2.224 0 40 IEAB COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN(C)C)cc2)cc1OC 10111448 WPRRHPUHLKEGJF-UHFFFAOYSA-N 435.546 2.210 0 40 IEAB COC(=O)c1ccc([C@@H]2c3c(-c4cccc(OC)c4)nnc(O)c3Nc3nnnn32)cc1 10296961 OFXQHHVSOKWWSL-GOSISDBHSA-N 431.412 2.326 0 40 IEAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccc(OC)c4)ncn3n2)cc1 11666439 IUJWSQZBBBJOFE-UHFFFAOYSA-N 433.468 2.282 0 40 IEAB CCc1nn2c(=O)cc(COC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)nc2s1 15733901 AFKXCYGVONJCTF-UHFFFAOYSA-N 428.514 2.484 0 40 IEAB CC[C@H](C)C(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)c2ccccc2F)C3)C1 19499769 CIDHQCRDWBTBFB-GJZGRUSLSA-N 426.492 2.470 0 40 IEAB Cc1ccc(=O)n(CC(=O)N2CCO[C@@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)n1 19696742 OXRHSGWGCIYBAT-MRXNPFEDSA-N 440.525 2.068 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccccc3OC)C1)C2=O 19700009 MIEKBBOWXCTGKK-QGZVFWFLSA-N 428.533 2.096 0 40 IEAB CNc1ncc(C(=O)N2CC[C@H](c3cc(C(=O)NCCOC)c4ccccc4n3)C2)cn1 19761574 GNGNKSGFOXFXFM-HNNXBMFYSA-N 434.500 2.072 0 40 IEAB COc1cc2cc(C(=O)N3CCC(c4ncc(C(N)=O)c(C)n4)CC3)n(C)c2cc1OC 19766543 AEZYZKQAQRATLS-UHFFFAOYSA-N 437.500 2.413 0 40 IEAB COCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)c(Cl)c1 20005972 XBWUXXIREDKJMZ-SFHVURJKSA-N 440.949 2.391 0 40 IEAB CCOC(=O)C1=NO[C@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 20365413 MBEUWJISCBRAQN-ZDUSSCGKSA-N 434.802 2.110 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc4cc(OC)ccc43)CC2)cc1 20731442 MIPDRZPCUMMJCT-UHFFFAOYSA-N 443.525 2.192 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCCOC)cc1C 22268143 GNMOGFUEIGGPJX-HXUWFJFHSA-N 434.558 2.436 0 40 IEAB COc1ccc(N2C[C@@H](NC(=O)N3CCN(Cc4ccccc4)CC3)CC2=O)cc1OC 22664645 OSFDSKYNKZOXAS-IBGZPJMESA-N 438.528 2.337 0 40 IEAB Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)sc2ncn(C)c(=O)c12 23561913 FQDKAFCCWSGSIM-INIZCTEOSA-N 430.505 2.246 0 40 IEAB CCOC(=O)c1cnc(SCc2nnc(C(=O)NCc3ccccc3)s2)nc1N 24774214 VEUJIBXSLIRYNB-UHFFFAOYSA-N 430.515 2.309 0 40 IEAB CN(CCOc1ccc(Cl)cc1)C(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1 24828927 GKEUWDLRMJSBRD-UHFFFAOYSA-N 439.000 2.100 0 40 IEAB CNC(=O)c1nn(CN(C)Cc2ccc(OC)c(OC(F)F)c2)c(=O)c2ccccc12 25482695 LLPNFPGRJBOHRV-UHFFFAOYSA-N 432.427 2.456 0 40 IEAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccccc1 25726849 HCZZRIIHCMVBLC-OAHLLOKOSA-N 438.933 2.299 0 40 IEAB COc1ccc(CN(CC(=O)N2CCc3ccccc3C2)[C@@H]2CCS(=O)(=O)C2)cc1 27649088 WWDUDWCZQGBZJR-OAQYLSRUSA-N 428.554 2.269 0 40 IEAB CS(=O)(=O)Nc1ccsc1C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1 58051975 INFMTHWKYULGGW-UHFFFAOYSA-N 428.580 2.356 0 40 IEAB CSc1ncc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)n1-c1ccc(F)cc1 58344720 BAEFRSPOYVJMTM-UHFFFAOYSA-N 441.488 2.020 0 40 IEAB CCOC(=O)C1CCN(CC2=C(C(=O)OC)[C@@H](c3ccc(OCC)cc3)NC(=O)N2)CC1 67287168 DCRWTZGIJFMTIF-HXUWFJFHSA-N 445.516 2.141 0 40 IEAB CCOc1ccc(CNC(=O)c2cnc(N3CCN(c4ccccn4)CC3)nc2N)cc1 67336640 WGDUSQCXWZWUMT-UHFFFAOYSA-N 433.516 2.109 0 40 IEAB O=C(NCc1ccccc1)Nc1ccc([C@H]2OCC(=O)N(C3CCOCC3)[C@@H]2CO)cc1 72321523 UDIWMDZLULBOFR-FYYLOGMGSA-N 439.512 2.448 0 40 IEAB biogenic,in-vitro O=C1COc2cc(NS(=O)(=O)c3cccc(C(=O)O)c3)c(Br)cc2N1 95409485 FCUBOWHUZUFBAM-UHFFFAOYSA-N 427.232 2.279 0 40 IEAB C[C@H](NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)C(=O)NC1CCCC1 101477301 AKJQYIFLGARFOD-OKZBNKHCSA-N 435.590 2.335 0 40 IEAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102178634 DPTGZSCEALXUMN-BETUJISGSA-N 425.407 2.278 0 40 IEAB Cc1ccccc1CS(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224310312 GRUSIIAEHRQCGS-UHFFFAOYSA-N 438.571 2.278 0 40 IEAB CN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccccc3Br)cc2)CC1 257295639 QZGNWZQNFLECSQ-UHFFFAOYSA-N 438.347 2.320 0 40 IEAB COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](c3cccs3)S(=O)(=O)CC2)cc1 390832114 XIUUATLCECTDLZ-MRXNPFEDSA-N 444.556 2.477 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O 408629994 LUZPRLRCECOYJC-UHFFFAOYSA-N 440.449 2.034 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 408705226 ZVXJSXVHYWAOBF-AWEZNQCLSA-N 448.497 2.346 0 40 IEAB Cn1c(=O)c2cc(C(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)n(C)c2n(C)c1=O 618685613 LQYPUJNYRRDCBD-HXUWFJFHSA-N 428.492 2.364 0 40 IEAB Cc1cc(F)cc(CN2[C@@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]3OCCS2(=O)=O)c1 1534645835 JJDOEQRWLXSVKU-KNQAVFIVSA-N 448.516 2.278 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCN(C)CC2)C12CN(Cc1cccnc1)C2 1549166203 BDRVLSPGJFPMLX-HSZRJFAPSA-N 447.583 2.058 0 40 IEAB COc1ccccc1-c1ccc(N2CC(N(C)S(=O)(=O)c3c(C)n[nH]c3C)C2)nn1 1888921648 GOLLVBDGNHYBRR-UHFFFAOYSA-N 428.518 2.001 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889168595 CGIKTFTTYMRVFL-ZFWWWQNUSA-N 429.468 2.350 0 40 IEAB O=C1NC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)[C@H]2CN(Cc3ccccc3)C[C@@H]12 2056225687 YHWARSWCGUQTRR-YADHBBJMSA-N 439.581 2.229 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 914738 PYAORUZHXGHUOH-UHFFFAOYSA-N 444.509 2.115 0 40 IEAB COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 4408196 MHTNSZSQTDOLMT-IDWSUWKASA-N 441.553 2.264 0 40 IEAB biogenic Cn1c(=O)c2c(ncn2CCCC(=O)Nc2ccc(N3CCCCCC3)cc2)n(C)c1=O 8720085 NYUSEFSWYPKVPA-UHFFFAOYSA-N 438.532 2.233 0 40 IEAB COc1cc(OC)nc(NS(=O)(=O)c2ccc(N3C(=O)C4=C(CCCC4)C3=O)cc2)n1 8916217 VRMHTNBXALCPQS-UHFFFAOYSA-N 444.469 2.038 0 40 IEAB Nc1nc(SCC(=O)NCc2ccc(F)cc2)[nH]c(=O)c1NC(=O)c1ccccc1 9518034 KJZINXPIGSQYKK-UHFFFAOYSA-N 427.461 2.152 0 40 IEAB COC(=O)[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1)C(C)C 13001314 OWNBRKJMKGRFPL-HXUWFJFHSA-N 448.541 2.443 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCC(=O)N3CCCC3)CC2)c1C 13108758 MQTZXTFWOAYACG-UHFFFAOYSA-N 449.617 2.450 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H](CC)N(c2ccc(C)c(C)c2)S(C)(=O)=O)CC1 13716243 GVDLIPOZUJLMQH-SFHVURJKSA-N 425.551 2.149 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(CN4CCOCC4)cc3)ccc21 15334904 QRDGOSGGBXNPDO-UHFFFAOYSA-N 443.569 2.296 0 40 IEAB CCc1ccc2c(c1)[C@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 16020061 ZUBIIHQUYPUKHA-ZQQPWHCDSA-N 425.529 2.073 0 40 IEAB Cn1c(=O)c2ccccc2n2c(COC(=O)C3CCN(C(=O)OC(C)(C)C)CC3)nnc12 17899089 FDTZCTKZELMPKR-UHFFFAOYSA-N 441.488 2.272 0 40 IEAB COc1ccc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)c(OC)c1OC 19552757 IGQWIPWLDSQQIR-LBPRGKRZSA-N 427.548 2.347 0 40 IEAB CNC(=O)c1ccc(-c2ccc([C@H]3CCCN3C(=O)Cn3c(C)cc(C)nc3=O)nc2)cn1 19688829 JYJFQEFTJDUDST-OAQYLSRUSA-N 446.511 2.040 0 40 IEAB CS(=O)(=O)Nc1ccc(C(=O)CSc2n[nH]c(=O)n2CCc2ccccc2)cc1 21099823 FBNGGIDOXVMKPB-UHFFFAOYSA-N 432.527 2.161 0 40 IEAB Cc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1 22229388 YFCSFWRFHOLJGV-UHFFFAOYSA-N 429.542 2.467 0 40 IEAB C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)N1CCOCC1 22470133 PNANAAZBXUPGCZ-AWEZNQCLSA-N 436.461 2.031 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)C1=O 22918530 PRJUTIZBHRVRIE-DEOSSOPVSA-N 436.512 2.348 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)cc2)CC1 23682328 GGPCIWLQDZUKOC-PXNSSMCTSA-N 437.587 2.500 0 40 IEAB COCCNS(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccccc2O)c1 24840640 UATXLADLMFQFCV-UHFFFAOYSA-N 429.292 2.332 0 40 IEAB CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1 32125221 FUNNZMRBGSCDAV-UHFFFAOYSA-N 429.586 2.304 0 40 IEAB COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 32671887 QRNYDJLWECPANH-KRWDZBQOSA-N 445.401 2.485 0 40 IEAB C[C@@H](NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](CNC(N)=O)C1)c1ccccc1 36390360 XWNZVNFFWYBSDZ-QZTJIDSGSA-N 437.544 2.496 0 40 IEAB O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NCCCc1ccccc1 40478003 XWYTZSPZBQSWEP-UHFFFAOYSA-N 436.903 2.439 0 40 IEAB O=C(Cc1csc(Cc2ccccn2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1 48278092 NXSVFAJBHJHQPY-UHFFFAOYSA-N 442.566 2.205 0 40 IEAB Cc1cc(NC(=O)C2CCN(C(=O)Nc3cccc(Cn4cccnc4=O)c3)CC2)no1 58009214 GAWXXOPFEURWAE-UHFFFAOYSA-N 436.472 2.471 0 40 IEAB O=C(CN1CCN(C(=O)Nc2ccccc2COc2ccccc2)CC1)N1CCOCC1 79073130 QNMMDYXYXCJHQS-UHFFFAOYSA-N 438.528 2.274 0 40 IEAB COc1cc(CN2CCN(C(=O)CCNC(=O)c3ccc(F)cc3F)CC2)cc(OC)c1 89423947 HHEIALDHRWWPPV-UHFFFAOYSA-N 447.482 2.446 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)Cc1ccccc1 107868710 OKEUBOLNNOXVAO-LJQANCHMSA-N 432.542 2.490 0 40 IEAB O=C(CNS(=O)(=O)c1ccccc1F)NC[C@@H]1CCCN1c1nc2ccccc2o1 206772310 ODXRTQPPRQZZAW-AWEZNQCLSA-N 432.477 2.030 0 40 IEAB O=C(O)c1cc(S(=O)(=O)N2CCC[C@@H](Cc3nc(-c4cnccn4)no3)C2)ccc1F 217854688 OQBVXOAAHVWFTP-LBPRGKRZSA-N 447.448 2.007 0 40 IEAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 222892865 FPHFFBTXDRGYEN-QGZVFWFLSA-N 431.558 2.263 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223094960 RRCXHPGABXPLRZ-ZCNNSNEGSA-N 425.529 2.190 0 40 IEAB COc1ccccc1N1CCN(C(=O)C[C@H](NS(C)(=O)=O)c2ccc(F)cc2)CC1 225947296 MQRBSLMVXMPULT-SFHVURJKSA-N 435.521 2.164 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 227204256 XHVCDDNFVURJPI-QSHYCUDZSA-N 429.561 2.053 0 40 IEAB CN(C[C@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)c1cccc(OCCN)c1 257243485 IHFCGQDHGZBWNC-XMMPIXPASA-N 435.528 2.071 0 40 IEAB C[C@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O 408621187 OOXOAJKTFXIHLH-SJLPKXTDSA-N 445.541 2.389 0 40 IEAB COc1ccc(OC)c2[nH]c(C(=O)NCCN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc12 524732177 BPKSEEDIOLMMOM-CVEARBPZSA-N 436.512 2.196 0 40 IEAB biogenic CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)c3c(O)nc(O)nc3n2)c1 536469063 XUFQMCCLGKMEGI-LBPRGKRZSA-N 445.501 2.215 0 40 IEAB Cn1cnc(C(=O)N2CCC3(CC2)C[C@@H](COCC2CC2)N(C(=O)c2ccccc2)C3)n1 585103975 YBEIAVCSRZMNMQ-FQEVSTJZSA-N 437.544 2.379 0 40 IEAB O=C(c1ccc(Cl)cc1)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)c1ccccc1)C2 604381639 IRABRBFZKLDTBM-HXUWFJFHSA-N 425.916 2.391 0 40 IEAB biogenic,in-vitro COC1CCN(C(C)(C)CNC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC1 677824319 NGYWMAAIHATBSK-UHFFFAOYSA-N 442.429 2.451 0 40 IEAB C[C@H](COc1ccc(F)cc1)NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1625378243 MMQVOXOUKCWDKZ-CYBMUJFWSA-N 442.534 2.230 0 40 IEAB Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 2356338 SGGQARGIXZLXTQ-UHFFFAOYSA-N 425.511 2.284 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(Cl)ccc2Cl)c(=O)n(C)c1=O 2633608 JNVXYWUUDANLOT-UHFFFAOYSA-N 428.272 2.132 0 40 IEAB COC(=O)c1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 2787310 SOKOTAMBDGNLTM-SJORKVTESA-N 441.831 2.059 0 40 IEAB COc1cc(/C=C/C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)ccc1O 3358373 HOBUTNGEHQHRSB-XVNBXDOJSA-N 428.397 2.077 0 40 IEAB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC(F)F 3522179 ZYVDXNSLQQCELO-SNVBAGLBSA-N 444.412 2.128 0 40 IEAB Cc1cccc2cc(CN(CCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c12 6443439 ZYGKPCTYQITHPL-UHFFFAOYSA-N 430.511 2.024 0 40 IEAB CC[C@@]1(C)NC(=O)N(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)C1=O 8849229 LUJUQCNQLMKCJE-LJQANCHMSA-N 432.481 2.263 0 40 IEAB CCCCN1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 8994380 BXVDQRDBKKLZOL-NARAOEGZSA-N 432.318 2.476 0 40 IEAB O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 9592467 CJQIUJFWMWVGQC-UHFFFAOYSA-N 428.510 2.441 0 40 IEAB CCOC(=O)N1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 9646147 ILZGTSXPWHGELR-UHFFFAOYSA-N 443.953 2.475 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCCC(=O)N3CCCC3)cc2)cc1 9646150 YJUKJNJQHQISEM-UHFFFAOYSA-N 431.514 2.238 0 40 IEAB CCN(CCCNC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccc1 9920210 LHIOQLDRPLKUIU-UHFFFAOYSA-N 429.517 2.475 0 40 IEAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C(=O)OC)c1C 10515320 ZHEVSRUTNZICCL-UHFFFAOYSA-N 440.499 2.132 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccc(N2CCCC2=O)cc1 10588889 RUHCEQRIIBEDOH-UHFFFAOYSA-N 430.530 2.063 0 40 IEAB CCN1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2C(N)=O)C1 11667771 CPISGHYNQFDSFI-UHFFFAOYSA-N 426.498 2.131 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)CS[C@H]2CCc3ccccc3N=C2O)cc1 11865936 GKUQXJNYVUHTGE-SFHVURJKSA-N 433.555 2.329 0 40 IEAB CCN(C(=O)Cn1c(C)cc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 12551723 OCEXANPXSAIGOK-UHFFFAOYSA-N 431.496 2.483 0 40 IEAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccccc1Br 12856677 PVEWHSIQQXFUMS-XHDPSFHLSA-N 443.319 2.150 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)O 12883505 HORMGZBYZMQGQC-LDSMLHDASA-N 447.557 2.155 0 40 IEAB biogenic C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)c1ccc2c(c1)OCCO2 12920187 RTLDTAREGQXZOT-HNNXBMFYSA-N 449.504 2.374 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)CC1 13004121 XSTLVFMWIANUFZ-UHFFFAOYSA-N 438.406 2.474 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C 13673891 USLPHJVZXONGMR-UHFFFAOYSA-N 448.497 2.348 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3cccc(F)c3)CC1)C2=O 19701362 JZGNFMUTHQJLBL-UHFFFAOYSA-N 444.551 2.402 0 40 IEAB CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Br)C(=O)NC1CCCC1 20902980 BTYVMDNJQJWIDM-HNNXBMFYSA-N 431.352 2.041 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(-c2nn(CN3CCN(C)CC3)c(=S)o2)c1 22038612 HDSNVRNUHMNZLS-UHFFFAOYSA-N 425.580 2.108 0 40 IEAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 31242598 PFWDMWWXZHAONJ-DOTOQJQBSA-N 434.489 2.183 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](C)C(=O)N3CCc4ccccc43)CC2)c1 34872627 XMPJNHSKBVJTKT-QGZVFWFLSA-N 441.553 2.173 0 40 IEAB CN1C(=O)N(Cc2ccccc2)C(=O)[C@@H]2[C@H]1N=C(NC[C@@H]1CCCO1)N2Cc1ccccc1 36157483 YTNJQVXMIQNRKJ-FKBYEOEOSA-N 447.539 2.416 0 40 IEAB CS(=O)(=O)N1CC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)Oc2ccccc21 38851306 LBUSBDJYBZZZLO-FQEVSTJZSA-N 433.505 2.092 0 40 IEAB Nc1nc(SCC(=O)NCc2cccs2)ncc1S(=O)(=O)c1cccs1 48990839 RJCMJFHMKCTPRQ-UHFFFAOYSA-N 426.570 2.423 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NO[C@@H]3CCCCO3)ccc2Cl)C[C@@H](C)O1 58416260 YSFUDNNBEJLFGG-PBFPGSCMSA-N 432.926 2.326 0 40 IEAB CCN1CCN(c2nc3ncn(CC(=O)Nc4cc(C)ccc4C)c(=O)c3s2)CC1 67225922 IUWBTAJBFHOLOU-UHFFFAOYSA-N 426.546 2.250 0 40 IEAB CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccc(OCC)cc1 67287657 JPKXVOGLBISDTP-FQEVSTJZSA-N 445.516 2.095 0 40 IEAB COc1ccc(C(=O)N2CCC(C(=O)N3CCC(C(=O)c4ccnn4C)CC3)CC2)cc1 72337591 URNDOIRPSSQOLR-UHFFFAOYSA-N 438.528 2.402 0 40 IEAB Cc1ccc2c(c1)CN(S(C)(=O)=O)CC1(CCN(C(=O)CCCn3ccnc3)CC1)O2 72394383 NBRPEGXJWAGMSI-UHFFFAOYSA-N 446.573 2.187 0 40 IEAB Cc1nc(C(=O)N2CCN(c3ccc(N4CCCC[C@H]4C)nn3)CC2)cc(-n2cccn2)n1 90607691 IBSYCTKDVUGYAJ-QGZVFWFLSA-N 447.547 2.102 0 40 IEAB Cc1cnc(N2CCN(C(=O)C(C)(C)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)s1 95405610 GGOAHLZSTHOAEA-UHFFFAOYSA-N 437.610 2.431 0 40 IEAB Cc1cccc(C)c1-n1nnnc1C1(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)CCCCC1 102790956 KONMQGRNBLAWEG-VXEMUYFQSA-N 449.511 2.305 0 40 IEAB NC(=O)COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)c2ccco2)cc1 102898521 UIAYFEOAWYWAJN-WMZHIEFXSA-N 431.404 2.225 0 40 IEAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223177806 LBAMVERFQWLTJL-SFTDATJTSA-N 429.590 2.224 0 40 IEAB Cc1ccc(N(CC(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)c(C)c1 224713525 CSXDGGLKIKVVHN-UHFFFAOYSA-N 445.585 2.218 0 40 IEAB CCOC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224839319 PLPWFSSQBXWAKF-UHFFFAOYSA-N 449.481 2.311 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)Cn3c(=O)cc(C)c4ccccc43)C2)nc2c1CCN(C)C2 257320981 VZPIKLXSBMROLQ-QGZVFWFLSA-N 446.555 2.146 0 40 IEAB CNC(=O)Cc1c(C)nc([C@H]2CCCN(C(=O)c3cc(OC)ccc3OC)C2)nc1C 257331526 XTGOUJKNSWZELN-INIZCTEOSA-N 426.517 2.419 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O 408621634 STOGDXFWXAVBMP-UHFFFAOYSA-N 440.449 2.034 0 40 IEAB COCCn1cc(C(=O)N2CCN(CCc3ccccc3)C[C@@H]2C(N)=O)c2ccccc21 585168379 KHEHCIKFSXEQIT-HSZRJFAPSA-N 434.540 2.142 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N(C)C1CN(c2ncnc(-c3ccccc3)c2F)C1 1775973044 DZXSGCXDAZPTMJ-UHFFFAOYSA-N 430.509 2.142 0 40 IEAB CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](N(C)C(C)=O)[C@H]1OC(=O)c1ccccc1 5081316 MEOHSCVFABBNRA-URFJDIBFSA-N 427.453 2.287 0 40 IEAB COc1ccccc1-n1c(C)cn2c3c(=O)n(CC(=O)c4ccccc4)c(=O)n(C)c3nc12 6444285 LJNQSAAQAHLDKS-UHFFFAOYSA-N 443.463 2.339 0 40 IEAB C[C@@H]1C(=O)C[C@@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@H]12 8764740 OACAZKAYRUIRND-ZMYNASCZSA-N 425.466 2.175 0 40 IEAB COc1ccc(C(=O)Nc2nnc(SCC(=O)NC[C@@H]3CCCO3)s2)cc1OC 8822427 RDZHLBBWENOJMI-LBPRGKRZSA-N 438.531 2.195 0 40 IEAB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)N[C@H]1CCS(=O)(=O)C1 9112665 MHIZVIHQRLDEFT-NSHDSACASA-N 436.536 2.485 0 40 IEAB CC1(C)O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 9270410 YNDXUCZADRHECN-ZNNHNXJJSA-N 434.504 2.419 0 40 IEAB biogenic O=C1C[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)N1c1cccc2ccccc12 9544659 GUMGXEKRABNBHL-QFIPXVFZSA-N 449.532 2.478 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1cc(OC)c(OC)c(OC)c1 9544838 GQDGZTGHNHEZAJ-UHFFFAOYSA-N 438.502 2.153 0 40 IEAB CCOC(=O)c1c(NC(=O)CSc2nnc3[nH]c(=O)ccn23)sc2c1CCCC2 9829340 YFMBTBVMGYBLRK-UHFFFAOYSA-N 433.515 2.265 0 40 IEAB O=C(NC1CCCCC1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(C2CC2)C(=O)[C@H]13 12642067 SERHDJBFTOPWOL-LMHDGWJKSA-N 441.572 2.197 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 13568103 UOWKIJFRGBMALF-CYBMUJFWSA-N 435.889 2.156 0 40 IEAB COc1ccc([C@H](NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c2nccn2C)cc1 16476015 HPVKMZBIDALSPB-FQEVSTJZSA-N 440.525 2.270 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(CCc2ccccc2)C(=O)CC3)C1 19741314 FRCZWFADCOWEAW-FQEVSTJZSA-N 449.555 2.149 0 40 IEAB CCn1cc(CN2CCO[C@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)cn1 19762913 HPEGZGBAYDLSGS-QHCPKHFHSA-N 435.528 2.497 0 40 IEAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 19766734 BYRTYROTZURKPV-QGZVFWFLSA-N 432.550 2.107 0 40 IEAB COC(=O)C1=C(CNCCc2ccccc2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 20529215 LGAZFMAKKIGTNT-OAQYLSRUSA-N 425.485 2.317 0 40 IEAB COc1cc(C(=O)NCC(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC 21358605 BMSLWHCPGVNOEP-DZKIICNBSA-N 436.505 2.069 0 40 IEAB O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 24373046 CAPQWQVJPMRHBU-UHFFFAOYSA-N 435.424 2.118 0 40 IEAB NC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 34865443 KFUUULZBQQOVDP-ZDUSSCGKSA-N 448.372 2.118 0 40 IEAB O=C(CCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 48250705 MMZWXAPRXHFHQI-XLIONFOSSA-N 432.567 2.330 0 40 IEAB CC[C@@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12 48988789 NMTLAIHKBQNGSA-MRXNPFEDSA-N 449.511 2.173 0 40 IEAB NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 58312171 NGRVZAUHLOIBAJ-SFHVURJKSA-N 432.471 2.493 0 40 IEAB CCN1CCN(S(=O)(=O)c2cccc(NC(=O)N(C)Cc3cnc(C)s3)c2)CC1 69739695 WXETVRJNIGPHOY-UHFFFAOYSA-N 437.591 2.442 0 40 IEAB COc1cc(NC(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)cc(OC)c1OC 77148900 KTNIAMOQQHXYPP-UHFFFAOYSA-N 431.493 2.354 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1nccn1CC(C)C 78875099 UWNZXSIVNPAPRM-MRXNPFEDSA-N 442.582 2.395 0 40 IEAB Cc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCC2)N(C2CC2)C(=O)[C@H]13 100431423 OYERLAYDOBTEPS-OAIJQJBHSA-N 435.524 2.305 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4cccc(F)c4)[C@H]3C2=O)cc1Cl 101168837 NJPSNMPAABTJEO-IAGOWNOFSA-N 431.811 2.420 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222937427 TUMAZQIJZFKEQH-LJQANCHMSA-N 435.521 2.145 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)ccc1OC 223851131 OENDIIIBSIKPSB-UHFFFAOYSA-N 431.514 2.050 0 40 IEAB COc1ccc([C@H](CC(=O)N2CCN(Cc3ccccc3)CC2)NS(C)(=O)=O)cc1 225956950 PICQAYHTPSQIBV-NRFANRHFSA-N 431.558 2.020 0 40 IEAB CCc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC)S(C)(=O)=O)cc1 260758670 LUSIIMQRHONCCS-MRXNPFEDSA-N 449.548 2.317 0 40 IEAB CC(C)Oc1ccc(CN2CCC3(CC2)Cn2c(nn(CC4CC4)c(=O)c2=O)N3C)cc1 306126150 DOINGEFGHCFGHJ-UHFFFAOYSA-N 439.560 2.087 0 40 IEAB COc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc(OC)c1OC 409210529 JIOMCWYTFZCKCU-WPBJZHHJSA-N 436.486 2.044 0 40 IEAB COc1ccc(N2C(=O)N[C@@H](CC(=O)N(C)C[C@@H]3CCCN4CCCC[C@H]34)C2=O)cc1 524731497 ZVEQVYGYCGORPG-FFZOFVMBSA-N 428.533 2.233 0 40 IEAB biogenic CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1c[nH]cc(Br)c1=O 535643249 KYCBUUDJZAUOBW-OAHLLOKOSA-N 435.253 2.444 0 40 IEAB COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc(C)c(I)c3)C2)nn1 544823330 XTLDKIMJJSZLNW-GFCCVEGCSA-N 440.241 2.065 0 40 IEAB O=C(C[C@@]1(COc2ccc(F)cc2)CN(Cc2cccc(O)c2)CCO1)N1CCOCC1 585271598 AWPKZWCPBRPSKB-DEOSSOPVSA-N 444.503 2.430 0 40 IEAB Cc1ncc2c(c1O)[C@H](c1c(O)[nH]c(=O)n(-c3ccc(Br)cc3)c1=O)OC2 2129397 JMINIUYXKVATBH-OAHLLOKOSA-N 432.230 2.023 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)CC1 2654980 JKLSEEDJIMCTNQ-UHFFFAOYSA-N 427.526 2.280 0 40 IEAB CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1nccs1)c(=O)n2Cc1ccccc1 3533388 BTTYZQNQENWEJI-UHFFFAOYSA-N 438.513 2.159 0 40 IEAB CSc1ccc(OC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc1 5201570 UTPMZVGGVNZEHT-KSSFIOAISA-N 432.498 2.106 0 40 IEAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N 6632137 DLEAITXNZKTHMJ-CYBMUJFWSA-N 435.525 2.299 0 40 IEAB Cc1cc(=O)oc2c3c(cc(OCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)c12)OC(C)(C)CC3 8879814 ZHZIDZPMMVHINO-CQSZACIVSA-N 449.525 2.229 0 40 IEAB biogenic O=C(NCc1nnc2ccccn12)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 9245884 XNUBHHOSHRHPQJ-UHFFFAOYSA-N 447.520 2.406 0 40 IEAB O=C(OCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 9465831 KFNWLHAKOIEIRH-LJQANCHMSA-N 442.493 2.069 0 40 IEAB CCC1CCC(C(=O)N[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C(C)C)CC1 9668173 RTZCWQLZQDNDCX-OUNSHVDWSA-N 437.606 2.350 0 40 IEAB Cn1nc(CC(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c2ccccc2c1=O 9799478 BLSJJJZNNPLDAZ-JOCHJYFZSA-N 446.507 2.283 0 40 IEAB CCn1cc([C@@H]2C[C@@H](C(=O)Nc3ccccc3C(F)(F)F)N(C)S(=O)(=O)N2)c(C)n1 12130331 ZGNVXMOYBOFKDQ-HOTGVXAUSA-N 445.467 2.449 0 40 IEAB COc1ccc(CCNC(=O)c2nc(CS(=O)(=O)c3ccccc3)no2)cc1OC 12371315 OOJVWHDPCYGICQ-UHFFFAOYSA-N 431.470 2.033 0 40 IEAB COC(=O)c1sc(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1C 12904910 KKKNHGWMEZVPOH-UHFFFAOYSA-N 448.526 2.038 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Cl)c1 13005405 QPNKZMFQXOGBFW-UHFFFAOYSA-N 428.963 2.485 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(S(N)(=O)=O)c3)cc2)C1 13095253 PCKOSOCZKBVKFO-AWEZNQCLSA-N 437.543 2.007 0 40 IEAB COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NC3CC(C)(C)NC(C)(C)C3)[C@H]4C2=O)cc1 13625455 KTAJWCMWTBOYDJ-MVOHMCPASA-N 439.556 2.407 0 40 IEAB CC[C@@]1(C)NC(=O)N(NC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)C1=O 14067017 CVPKZYFNAYQCEJ-LJQANCHMSA-N 445.526 2.247 0 40 IEAB CCCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OC 14291964 SNQWXXQNINQZPM-UHFFFAOYSA-N 447.557 2.355 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)no1 18245060 OFSHTTMKBRZGPG-ZACQAIPSSA-N 425.441 2.034 0 40 IEAB CC(C)(C)C(=O)N1CCc2c(nc3cc([C@H]4CCCN4C(=O)[C@@H]4CCCO4)nn3c2O)C1 19081563 XDJPKYLMPUHIQF-MSOLQXFVSA-N 441.532 2.208 0 40 IEAB O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCN(C[C@H]2CCOC2)CC1 19699462 NYHQWDLXMCHPEN-HXUWFJFHSA-N 426.561 2.074 0 40 IEAB CC(C)C(=O)N1CCC(CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19700708 GLEDWIIMGLAEMX-UHFFFAOYSA-N 426.561 2.468 0 40 IEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1 19767008 DUYRNMBERHTHJT-IBGZPJMESA-N 447.561 2.057 0 40 IEAB COC(=O)c1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 20732952 MNCVDMOZSJHKIO-UHFFFAOYSA-N 433.486 2.020 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1F)c1ccc(Cl)cc1 23510974 WPIPGWFWBHPVJP-UHFFFAOYSA-N 441.912 2.342 0 40 IEAB O=C(Cn1ncc(Br)c(Br)c1=O)Nc1ccc2c(c1)OCO2 23557319 YGFCCICQPJDBBT-UHFFFAOYSA-N 431.040 2.136 0 40 IEAB CN(C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(c1ccccc1)c1ccccc1 32969850 ALZCYXMMRRYMCA-PMACEKPBSA-N 426.538 2.270 0 40 IEAB COc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1N1CCCCS1(=O)=O 36360244 IDWWLMAGIVGWLR-UHFFFAOYSA-N 435.477 2.019 0 40 IEAB O=C1C[C@@H](c2cccs2)Cc2c1cnc1nc(NCCN3CCOCC3)[nH]c(=O)c21 38829500 DTLZMUFQDVHYEQ-ZDUSSCGKSA-N 425.514 2.036 0 40 IEAB Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc3c(=O)[nH]c(=O)n(C)c3n2)ccc1F 48286623 FGVBYIJXTRLYPH-UHFFFAOYSA-N 437.387 2.167 0 40 IEAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1 48985198 UDJFKZAEDJVZFM-UHFFFAOYSA-N 435.469 2.306 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3(c4ccccc4)CCC3)c2)CC1 58435541 GCGUPGZMSZXLBK-UHFFFAOYSA-N 441.553 2.349 0 40 IEAB COc1ccc(CN(C(=O)c2nc3n(n2)-c2ccccc2S(=O)(=O)N3)C2CC2)cc1 71890339 JQHLCURHPZVURQ-UHFFFAOYSA-N 425.470 2.195 0 40 IEAB CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCC3(O)CCS(=O)(=O)CC3)c12 72304366 IABNAEIVYDWATE-UHFFFAOYSA-N 435.546 2.358 0 40 IEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@](O)(Cc1ccccc1)c1ccccc1 72304394 JQOJVKXJBZMZQE-AREMUKBSSA-N 443.503 2.327 0 40 IEAB CS[C@@H](C)C(=O)NC1CCC(NC(=O)C2CCN(C(=O)[C@@H](C)SC)CC2)CC1 72306373 GKJXMGWZGMDAHY-HOBHPSKFSA-N 429.652 2.272 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 95450455 GWROMYHFNRIXSQ-UTKZUKDTSA-N 445.585 2.062 0 40 IEAB O=S(=O)(Cc1ccco1)C1CCN(S(=O)(=O)CCCOc2ccccc2)CC1 96099559 FLCQAZDAJUEGDW-UHFFFAOYSA-N 427.544 2.458 0 40 IEAB COC(=O)[C@H](Cc1ccc(Cl)cc1)N1CCN(C[C@H](O)COc2ccccc2)CC1 97141149 YBMLXNWCGCYCTH-UNMCSNQZSA-N 432.948 2.482 0 40 IEAB CC(=O)O[C@H]1C[C@@H]2[C@@H](C)C(=O)[C@]3([C@H](O)C[C@@H]4C(C)(C)CC[C@@H](OC(C)=O)[C@@]4(C)[C@@H]13)[C@@H]2O 100359666 LGRQSRYHHCUXCE-ONNZLKTLSA-N 436.545 2.259 0 40 IEAB CS(=O)(=O)c1ccc2nc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)sc2c1 102883559 XCXNWYHQPHEEFS-BETUJISGSA-N 435.527 2.204 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222478492 QTQWIWBBWKRSKM-SFHVURJKSA-N 431.558 2.087 0 40 IEAB COc1ccc(OC)c(N(CC(=O)NCCOc2cccc(C)c2C)S(C)(=O)=O)c1 223910870 HDIOKXGFPODSPX-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB CS(=O)(=O)Nc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)c(Cl)c1 224738272 YDWFXOXJBHCGOK-UHFFFAOYSA-N 437.949 2.474 0 40 IEAB FC(F)(F)Oc1cccc(NC(=S)NCCN2CCN(c3ncccn3)CC2)c1 225218881 UJXKKGOOWLYYEK-UHFFFAOYSA-N 426.468 2.484 0 40 IEAB CC(C)(C)CNC(=O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 252479715 BKVUSCWINSRSOP-UHFFFAOYSA-N 436.556 2.216 0 40 IEAB CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)c2cc(-n3cccn3)ccc2Cl)cc1 257222697 DUJXZNZWBYEJAF-UHFFFAOYSA-N 439.902 2.048 0 40 IEAB CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408547652 KRUYGSBUPRAYTQ-UHFFFAOYSA-N 447.513 2.350 0 40 IEAB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408672742 ZTWQDKDXELNMJO-WPCMGHOJSA-N 440.496 2.427 0 40 IEAB CN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1=O 643555734 DMXBGDOGMDHCCD-RUZDIDTESA-N 443.588 2.334 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)NCCc2cccc(Br)c2C)CC1 1564368644 OTSOBWCUAHSOFK-UHFFFAOYSA-N 432.384 2.413 0 40 IEAB O=C(CN1C(=O)c2ccccc2C1=O)N1CC[C@H](Oc2ccncc2Br)C1 1775972765 VCUHELJXCCSETJ-LBPRGKRZSA-N 430.258 2.120 0 40 IEAB NC(=O)C1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)CC1 3428719 FVMGYIAUYRPZTM-UHFFFAOYSA-N 429.477 2.271 0 40 IEAB O=C1O[C@H]([C@@H]2OC(=O)C(=O)[C@H]2[C@@H]2CCCCCCC2=O)[C@H]([C@@H]2CCCCCCC2=O)C1=O 5664041 IJJBNKXNBQBVMB-ZKDXOGESSA-N 446.496 2.287 0 40 IEAB COc1ccccc1CNC(=O)CCNC(=O)N1CCc2cc(OC)c(OC)cc2C1 8764247 WYQUKADIQXXTSR-UHFFFAOYSA-N 427.501 2.487 0 40 IEAB biogenic COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(C5CCCC5)C(=O)[C@H]24)O3)cc(OC)c1OC 9435680 SYLGTYVHEITMHD-JYISGYRJSA-N 428.485 2.376 0 40 IEAB COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 9487782 KEJSOGKXSWMHRK-CSODHUTKSA-N 433.574 2.329 0 40 IEAB O=C(CNS(=O)(=O)c1ccc(Br)cc1Cl)OCC(=O)c1ccc[nH]1 9986819 IXFHYOYDVRKAOS-UHFFFAOYSA-N 435.683 2.135 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1)c1ccco1 10718533 MOWHISPFKJICCA-HXUWFJFHSA-N 434.496 2.169 0 40 IEAB Cc1cn2c(/C=C/C(=O)O[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c(C)nc2s1 10727268 JKGKSMURPHEVIK-MMQHEFTJSA-N 448.526 2.244 0 40 IEAB CCCn1c(SCC(=O)N2CCN(C(C)=O)CC2)nc2sc3c(c2c1=O)CCC3 11294383 DPWHKQAHBSVANZ-UHFFFAOYSA-N 434.587 2.140 0 40 IEAB CN(C)S(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Br)cc2)c1 12526191 CXRGKVSSCYURAY-UHFFFAOYSA-N 435.321 2.206 0 40 IEAB NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(F)cc2)c1N 12709596 MEYLBUHYDWUCEP-UHFFFAOYSA-N 433.509 2.055 0 40 IEAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)c12 12871194 PCLMWTXWWBFTFY-QFIPXVFZSA-N 446.500 2.164 0 40 IEAB biogenic CCN(Cc1ccc2c(c1)OCO2)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 14067877 HNPJNNMFLZFPTE-IBGZPJMESA-N 448.479 2.408 0 40 IEAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 14164493 CQGZCJWJSLPTRB-HNNXBMFYSA-N 425.426 2.483 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)COC(=O)/C(=C/c1ccccc1)n1nnnc1C 14360887 SDNKEGAKOJGQRU-UYRXBGFRSA-N 435.440 2.338 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 15091975 QIMYTINWERWDTC-UHFFFAOYSA-N 429.498 2.332 0 40 IEAB NC(=O)c1ccsc1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 15524051 SNDQDZJMTJGPEN-UHFFFAOYSA-N 427.452 2.412 0 40 IEAB CCOC(=O)C1=C(COC(=O)Cc2ccc(OC)c(OC)c2)NC(=O)N[C@H]1c1ccco1 18218119 MCFMNHGOPHOPFL-FQEVSTJZSA-N 444.440 2.254 0 40 IEAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 19538627 XFLRGTIXJQGMCQ-FQEVSTJZSA-N 445.516 2.141 0 40 IEAB COCCN1CC=CC[C@@H](C2CCN(C(=O)Cn3c(=O)oc4ccc(C)cc43)CC2)C1=O 19698529 ZUCRBNILVCALAD-IBGZPJMESA-N 441.528 2.193 0 40 IEAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4ccnn4C)nc32)c1 19698638 HZHZXESKODBYIK-UHFFFAOYSA-N 448.527 2.321 0 40 IEAB O=C(CN1CCN(Cc2ccsc2)CC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 22800103 PFHDOKHHFTZGEE-HXUWFJFHSA-N 439.647 2.214 0 40 IEAB CS(=O)(=O)N1CCCN(C(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CC1 24782258 IZTXDYCFYXCCAF-NRFANRHFSA-N 426.542 2.488 0 40 IEAB CC(=O)N(C)c1ccc(OC[C@H](O)CN2CCN(CCOc3ccc(C)cc3)CC2)cc1 27228831 XWDLDLHMMVBWCL-HSZRJFAPSA-N 441.572 2.414 0 40 IEAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2cc(Cl)ccc2Cl)c1=O 32682524 XIXCJUNQZUKWIK-UHFFFAOYSA-N 426.304 2.065 0 40 IEAB O=C(NCc1ccc(Cn2cncn2)cc1)c1sccc1S(=O)(=O)N1CCCC1 32901028 LFPKWTSBIHCFLI-UHFFFAOYSA-N 431.543 2.102 0 40 IEAB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1nccs1 33409116 PKTYTEACLVLLFN-UHFFFAOYSA-N 432.531 2.424 0 40 IEAB C[C@@H](NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)C(=O)NC1CC1 36575273 TUQHXWPNLGPXBU-MRXNPFEDSA-N 425.533 2.012 0 40 IEAB CCOc1ncccc1C(=O)NCCn1ncc2c(=O)n(Cc3ccc(C)cc3)cnc21 36654041 KYEMRLVIEWYPCF-UHFFFAOYSA-N 432.484 2.173 0 40 IEAB COCc1cc(=O)[nH]c2cc(NC(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)ccc12 49031124 BLZLRCWWGFVWCB-CQSZACIVSA-N 438.509 2.396 0 40 IEAB CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(N4CCN(C)CC4)nc3)no2)CC1 49155090 VSHQJGMKHYHWFU-FQEVSTJZSA-N 439.564 2.031 0 40 IEAB biogenic,in-vitro CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1cccc(Cl)c1 58699314 DIMNSLZWIGRUHB-SFHVURJKSA-N 435.933 2.342 0 40 IEAB CS[C@H](C)C(=O)NC1CCC(NC(=O)C2CCN(C(=O)[C@@H](C)SC)CC2)CC1 72306374 GKJXMGWZGMDAHY-QBBMROGASA-N 429.652 2.272 0 40 IEAB Cc1nnc(SCC(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)o1 72337184 JGTXYFAGINUCLV-UHFFFAOYSA-N 432.550 2.120 0 40 IEAB O=C(CCn1ncc2ccccc21)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338784 XGISVHKOMICHIT-JOCHJYFZSA-N 439.541 2.395 0 40 IEAB CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2S(=O)(=O)c1ccc(C(=O)OC)cc1 79023912 ZJFJIKHPZLFSAT-LBPRGKRZSA-N 432.454 2.186 0 40 IEAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCc1cc(Cl)c2c(c1)OCCO2 84335299 VVWRLLGAQRIQAS-ZVZYQTTQSA-N 439.965 2.496 0 40 IEAB CCN(C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 96619999 NVKSBMSIKLKOEQ-APVMCDBPSA-N 443.554 2.435 0 40 IEAB O=C1[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3Cl)C2)C(=O)N1Cc1ccccc1F 225390060 ZSIXCFXJSDNAMA-XLIONFOSSA-N 443.906 2.038 0 40 IEAB biogenic,in-vitro O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 245230055 KVXGJFXNCYBZOS-CGISYENWSA-N 449.551 2.065 0 40 IEAB Cc1cc(C)n(CCOc2ccc(CNC[C@]3(O)CCCN(c4cnccn4)C3)cc2)n1 257238708 HMDWFPINJINIPB-XMMPIXPASA-N 436.560 2.490 0 40 IEAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C2(c3ccc(OC)cc3)CCOCC2)C1 257329469 XKCFXRXXGMEDSG-RUZDIDTESA-N 437.540 2.445 0 40 IEAB COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc2O1 260746529 SIRZTYUPMPDMIF-JXFKEZNVSA-N 444.509 2.055 0 40 IEAB CCCn1ccc(C(=O)N2CCO[C@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)n1 585287160 VDNOPPSTIRJPPZ-OAQYLSRUSA-N 434.924 2.421 0 40 IEAB Cc1ccn(CC(=O)N2CC[C@H]3NC(=O)COc4ccccc4CCCC[C@@H]3C2)c(=O)c1 643250968 DVQFGBOKIQGYFS-NHCUHLMSSA-N 437.540 2.295 0 40 IEAB C[C@H]1CN(C[C@H]2C[C@@H]3CCN(S(=O)(=O)c4cc(F)cc(F)c4)C[C@@H]3O2)C[C@@H](C)O1 2056225582 RYXOBUSZYBZBTC-LIHGBGNGSA-N 430.517 2.242 0 40 IEAB COc1cc(CCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc(OC)c1OC 2658621 GGORIAZOILNDHI-UHFFFAOYSA-N 428.441 2.174 0 40 IEAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1 2660297 BYOQQYZFHQLBMP-UHFFFAOYSA-N 428.466 2.229 0 40 IEAB COc1ccc(/C=c2\sc3nnc(-c4ccc(OC)c(OC)c4)n3c2=O)cc1OC 3639093 LAHDFIKFPVBNJH-ZDLGFXPLSA-N 425.466 2.400 0 40 IEAB CCS(=O)(=O)N1CCc2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc21 8586841 IKZDWODSOUDHOQ-UHFFFAOYSA-N 429.542 2.370 0 40 IEAB CC(=O)CN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc3ccccc23)c(=O)n1C 8704261 YAPLNJDKKBSREH-INIZCTEOSA-N 444.495 2.444 0 40 IEAB O=C(CCc1cc(Cl)no1)N(CCS(=O)(=O)N1CCCC1)Cc1cccnc1 9061321 XQMBIERVMHFSJN-UHFFFAOYSA-N 426.926 2.110 0 40 IEAB O=C(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc2c(c1)OCCCO2 9504013 SUJMZGPCJUQMRA-GOSISDBHSA-N 434.452 2.431 0 40 IEAB COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1OC 9508211 YHHVXSDJFFTQHH-UHFFFAOYSA-N 432.542 2.396 0 40 IEAB COc1ccccc1CNC(=O)COC(=O)c1sc2nc3n(c(=O)c2c1C)CCC3 9633524 HUEVZPBLILSGRU-UHFFFAOYSA-N 427.482 2.194 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(-n2cnnn2)c1 9636980 HHEWNTBRSMXGCX-UHFFFAOYSA-N 426.502 2.479 0 40 IEAB O=C(CSc1nncn1-c1ccccc1F)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 9950485 LIUGMWNRTLADCG-HNNXBMFYSA-N 438.550 2.457 0 40 IEAB CCOc1ccc([C@@H]2NC(=O)NC(CS(=O)(=O)c3ccccc3)=C2C(=O)OC)cc1 10273546 YKHPZHFRYHMGFH-IBGZPJMESA-N 430.482 2.340 0 40 IEAB O=C(Nc1nccs1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 12730855 BEIZNOCOXUIPKW-MRXNPFEDSA-N 445.522 2.443 0 40 IEAB Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 12992257 FAGHRQMXYKZWCD-UHFFFAOYSA-N 430.452 2.202 0 40 IEAB CCN(C(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1)[C@H]1CCS(=O)(=O)C1 13127977 ZQBHWZNAJCZIEU-NEPJUHHUSA-N 430.577 2.259 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(N2CCCC2=O)c1 14066795 SCJGQEYCZWZIGL-UHFFFAOYSA-N 444.509 2.096 0 40 IEAB CCCC[C@@H](CC)C(=O)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164427 WSKPDYWWGDGOSO-CTNGQTDRSA-N 428.577 2.269 0 40 IEAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 15608576 XNWRVHJWLCWRMX-MRXNPFEDSA-N 445.541 2.488 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1 16045780 BATGGGNTVVOFHF-UHFFFAOYSA-N 427.482 2.490 0 40 IEAB COC(=O)/C=C(/C(=O)OC)c1ccccc1[C@H](C(=O)OC)c1ccccc1CC(=O)OC 17105183 FEHZWAUEBANTQK-PGPKDTDWSA-N 440.448 2.436 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(-n2cccc2)cc1 18151657 XWCNRBDHKSURAF-UHFFFAOYSA-N 425.510 2.428 0 40 IEAB Cc1cccc(CS(=O)(=O)N2C[C@@H](c3ccnc(N4CCCC4)n3)[C@H](CN(C)C)C2)c1 19235093 BABONRDLLMQLHP-NHCUHLMSSA-N 443.617 2.492 0 40 IEAB O=C(NCCn1ccnc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19372471 ABGYKCRALQWEDM-VXKWHMMOSA-N 445.571 2.305 0 40 IEAB CC(C)N1C[C@@H](c2cc(N(C)C)nc(CN(C)C(=O)COc3ccccc3)n2)CC1=O 19700980 YJEXGFNKIKDCDF-KRWDZBQOSA-N 425.533 2.304 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)Cc2nc([C@H]3CC(=O)N(C(C)C)C3)cc(N(C)C)n2)cc1 19700990 YDGFAGQRTNMQMC-KRWDZBQOSA-N 445.589 2.396 0 40 IEAB C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 22018699 ULZABIJSXLGPJI-VIFPVBQESA-N 428.392 2.181 0 40 IEAB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 22372722 OMGCYQTTXSKJOB-MRXNPFEDSA-N 434.514 2.116 0 40 IEAB CCc1ccccc1NC(=O)CN1CCN(CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1 23248919 RMWXRZAIRPWCJL-MHECFPHRSA-N 441.576 2.263 0 40 IEAB COC(=O)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1cccs1 25086167 MFJWKYHPFFYPFP-AWEZNQCLSA-N 430.935 2.491 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 30607983 WJLYGIDNUKRXIV-AWEZNQCLSA-N 425.913 2.495 0 40 IEAB O=C(Nc1ccc(Cn2cncn2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 30852652 AZUYBFMUIORHMJ-GOSISDBHSA-N 425.514 2.366 0 40 IEAB Cc1cc(Cc2ccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)s2)c(=O)[nH]n1 31814562 KCOYYGHLTLMYSX-UHFFFAOYSA-N 430.555 2.242 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)cc1 35828238 CBPOOYULSIEABU-UBVAINNBSA-N 441.459 2.147 0 40 IEAB NC(=O)Nc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 40040100 ARSFPRDSAPGOIR-UHFFFAOYSA-N 430.530 2.041 0 40 IEAB Cc1ccc([C@H](CNC(=O)Nc2cccc(Cn3cccnc3=O)c2)N2CCOCC2)o1 48367236 QCHROBGGWXKJHR-FQEVSTJZSA-N 437.500 2.388 0 40 IEAB Cc1cc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3Cc3ccccc3)cc2)n(C)n1 67896435 SDHJOGXONORNKV-FYYLOGMGSA-N 434.496 2.442 0 40 IEAB biogenic,in-vitro COc1ccc(COC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)cn1 78949369 VXKWFVCOOGSROF-UHFFFAOYSA-N 425.894 2.283 0 40 IEAB CCOc1cc2c(cc1CN1[C@H]3CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C3)OCO2 100727661 RTNUJIFDUQMHNW-ROUUACIJSA-N 427.501 2.237 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2c(OC)cccc2OC)cc1 222745660 XODHRCAJTMIMOG-UHFFFAOYSA-N 436.530 2.430 0 40 IEAB CC(C)NC(=O)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1 225427508 WBNKUMUQCPHADQ-UHFFFAOYSA-N 444.605 2.262 0 40 IEAB biogenic,in-vitro CCN(CC(=O)Nc1ccc(CC(N)=O)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 226071331 KPEPVLXVAJWZHU-UHFFFAOYSA-N 439.921 2.026 0 40 IEAB CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1 257330034 XMMVBWYJXHYCKR-WUPHJKPLSA-N 442.556 2.442 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(F)cc1 408621821 PBBHUZRJCIVTEY-VMPITWQZSA-N 431.533 2.449 0 40 IEAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408672740 ZTWQDKDXELNMJO-KHDMTIDOSA-N 440.496 2.427 0 40 IEAB C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 509060134 IWGWECXGDOTYKX-XFBWCDHKSA-N 440.313 2.224 0 40 IEAB Cc1oc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnc(C4CC4)s3)CC2)c1C(=O)O 532258420 UFVVSFTZLIWEFV-UHFFFAOYSA-N 439.515 2.075 0 40 IEAB Cn1cnc(C(=O)N2CCC([C@@H]3C(=O)Nc4ccc(C(=O)NC5CCCC5)cc43)CC2)n1 2055759418 XRDMMWXIJRBSEN-IBGZPJMESA-N 436.516 2.076 0 40 IEAB CS(=O)(=O)c1cccc2sc(N3CCO[C@H](C(=O)N4CCC(F)(F)CC4)C3)nc12 2087145703 LJSNHUGPGLPJMT-LBPRGKRZSA-N 445.513 2.163 0 40 IEAB Cc1cc2cc(CN(CCO)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2cc1C 924937 SVUYWGCRXGXZNP-UHFFFAOYSA-N 444.509 2.099 0 40 IEAB COc1cc(-c2noc(CCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc(OC)c1OC 2202162 BGHJFMHLBCXUNW-UHFFFAOYSA-N 426.429 2.433 0 40 IEAB O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)c1ccc2c(c1)OCO2 2694911 OXKGNCLYTQDZHP-UHFFFAOYSA-N 447.494 2.298 0 40 IEAB CCS(=O)(=O)N1CCC[C@H](c2nnc(S)n2-c2cnn(Cc3ccccc3)c2)C1 2809693 ACADUIZFAKAECY-INIZCTEOSA-N 432.575 2.330 0 40 IEAB CCOC(=O)[C@H]1CC[C@@H](OC(C)=O)[C@H](O[C@@H]2C[C@H](C(=O)OCC)CC[C@@H]2OC(C)=O)C1 4768920 VLXPZNOTDZLAIO-UEDNIHKISA-N 442.505 2.330 0 40 IEAB CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1 9001596 IGQJGOGGBJQFFO-UHFFFAOYSA-N 431.452 2.039 0 40 IEAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2)cc1 9138674 DMKRNTQHZKLTOC-GOSISDBHSA-N 432.498 2.248 0 40 IEAB COc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1OC 9661041 XLVKAMHWBRKUBW-UHFFFAOYSA-N 433.461 2.045 0 40 IEAB CC(C)CCNC(=O)[C@H](c1ccncc1)N(CCCO)C(=O)[C@@H]1COc2ccccc2O1 12471774 FVOFXSUWXMSIPO-VXKWHMMOSA-N 441.528 2.336 0 40 IEAB CN(CC(=O)N1CCN(Cc2ccccc2F)CC1)S(=O)(=O)c1ccc(Cl)cc1 12751634 NQLGKYANJOMJRV-UHFFFAOYSA-N 439.940 2.444 0 40 IEAB COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)C(=O)CCC(=O)Nc2nccs2)cc1 13151093 WSBCTOUSZHSNLG-KRWDZBQOSA-N 446.529 2.199 0 40 IEAB O=C(CN(Cc1ccc(F)cc1)C(=O)CCC(=O)Nc1nccs1)NC[C@@H]1CCCO1 13501968 VBIDEDXYQPVMFR-KRWDZBQOSA-N 448.520 2.325 0 40 IEAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(Cc2ncc(-c3ccc(F)cc3)o2)C1=O 14186380 BODORQBIYCPJAO-NRFANRHFSA-N 433.403 2.424 0 40 IEAB Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@H](C)CS4(=O)=O)cc3)CC2)c1 15842774 ZVPIGPAAFMERRM-QGZVFWFLSA-N 427.526 2.270 0 40 IEAB CCCCN1C(=O)c2ccc(C(=O)N[C@H](C)c3ccc(S(N)(=O)=O)cc3)cc2C1=O 17851121 YMKRJCOTGYLSRZ-CYBMUJFWSA-N 429.498 2.221 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2ccc(NC(C)=O)cc2)NC(=O)N[C@@H]1c1ccco1 18189202 XQTYOJIDSOJLIW-GOSISDBHSA-N 427.413 2.266 0 40 IEAB Cc1nc(=O)c2ccccc2n1C1=CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 19240581 IXVSQZFTFWCMFJ-UHFFFAOYSA-N 427.464 2.188 0 40 IEAB COc1cc2[nH]c(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)cc2c(OC)c1OC 19287887 HFIXFIXUSKEYKR-UHFFFAOYSA-N 428.489 2.366 0 40 IEAB O=C(NCCO)c1sc2ccccc2c1[C@H]1CN(S(=O)(=O)c2ccccc2)CCO1 19697932 JVYWABABNLFLOM-QGZVFWFLSA-N 446.550 2.386 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(C)CC1 19928992 NXPVRQBQEIYFDN-UHFFFAOYSA-N 445.585 2.011 0 40 IEAB COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)c(OC)c1 20234025 WATMLLSVHJSRGR-KRWDZBQOSA-N 434.514 2.194 0 40 IEAB C[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1 22436918 IKCJYOTVXKXSFU-KRWDZBQOSA-N 431.558 2.483 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)C(=O)N2CCN(C)CC2)cc1 22996645 GQKOWRFMNSAMEN-UHFFFAOYSA-N 444.557 2.300 0 40 IEAB Cc1nc2c(C(=O)N3CCOCC3)nc(-c3cccs3)cc2n1[C@H]1CCS(=O)(=O)C1 32616082 FTZUDRFKCHBTJX-AWEZNQCLSA-N 446.554 2.300 0 40 IEAB Cn1cc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccccc2)cc1C(N)=O 32777873 DBABGQOBLZCVMR-UHFFFAOYSA-N 430.461 2.097 0 40 IEAB CCOC(=O)C1=C(COC(=O)C(O)(c2ccccc2)c2ccccc2)NC(=O)N[C@@H]1CC 32910560 XCUMQKXGQUFQTH-GOSISDBHSA-N 438.480 2.374 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCC(=O)OC(C)C)cc3)C2=O)o1 33667613 SDFMEGQAPAZVGW-YVLHZVERSA-N 442.424 2.490 0 40 IEAB O=C(CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1)c1cccs1 36708309 FVTJARMDSFAWIO-UHFFFAOYSA-N 447.582 2.173 0 40 IEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2cccc3c2OCCO3)c(=O)[nH]c1=O 57991248 ANBHXTWLCFCLIC-UHFFFAOYSA-N 430.505 2.383 0 40 IEAB CCn1c(=O)n(CN(C)CCOc2cccc(C)c2)c2cc(S(=O)(=O)N(C)C)ccc21 58438146 DRFDZWIVFJXWSU-UHFFFAOYSA-N 446.573 2.350 0 40 IEAB CC[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)c1noc(C)n1 72309295 KKNCVBCGZOKGJL-GFCCVEGCSA-N 438.414 2.318 0 40 IEAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NS(=O)(=O)N1CCCc2ccccc21 95450016 AYVBTUQWJBQTCN-UHFFFAOYSA-N 430.452 2.419 0 40 IEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)[C@H]2COc3ccc(Br)cc32)C1=O 95976371 IBNUTJRXFIUCTI-IFXJQAMLSA-N 430.258 2.424 0 40 IEAB Cc1noc(C)c1CN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 96145918 MQOFJWRGFKXZIC-PMACEKPBSA-N 448.589 2.269 0 40 IEAB Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 96343988 MMOBJYJGLQFGIA-GFCCVEGCSA-N 445.321 2.345 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222498029 DNVPPDZTIMUHRB-UHFFFAOYSA-N 439.921 2.364 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2=O)ccc1OC 223851289 JQKNPUQLNHTELP-UHFFFAOYSA-N 445.541 2.046 0 40 IEAB O=C(NCc1ccccc1CN1CCOCC1)c1cccc(N2CCCCS2(=O)=O)c1 224394203 IVFPMECBJFZHBA-UHFFFAOYSA-N 443.569 2.379 0 40 IEAB CC(C)c1nc2cc(C(=O)N[C@H]3CCC[C@H](n4cnc5c(N)ncnc54)[C@H]3O)ccc2[nH]1 257203617 AQWORAIZLPLZDZ-ZVZYQTTQSA-N 434.504 2.293 0 40 IEAB Cc1n[nH]c(C)c1CNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3oc(=O)n(C)c3c2)C1 257289367 PYHIQLFRKMPIMQ-JOCHJYFZSA-N 425.489 2.030 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C)COc2ccc(C)cc2)cc1OC 260793360 IUWCRWAMWCUYCB-MRXNPFEDSA-N 436.530 2.216 0 40 IEAB Cc1ccc(CC(=O)N2CC[C@H]3Cn4c(nn(Cc5cccc(F)c5)c(=O)c4=O)[C@H]3C2)cc1 306137492 QXSYNADOPGDMOZ-FPOVZHCZSA-N 448.498 2.089 0 40 IEAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)c1ccccc1S(=O)(=O)C(F)F 575606006 JAPNXDJSQNEUFJ-SECBINFHSA-N 438.378 2.329 0 40 IEAB Cc1nc2ccc(C(=O)N3CCO[C@@](COc4ccc(F)cc4)(CC(N)=O)C3)cc2[nH]1 585285390 YDRHIGKQPOHMJB-QFIPXVFZSA-N 426.448 2.176 0 40 IEAB O=C1CCc2cc(S(=O)(=O)NC[C@@H](O)c3ccc(-c4ccco4)o3)cc3c2N1CC3 1775966211 UMZZVLNYLBSFOH-MRXNPFEDSA-N 428.466 2.387 0 40 IEAB C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)O 1737591 COHGIZCCOYJYPA-SJCJKPOMSA-N 425.393 2.271 0 40 IEAB biogenic CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1ccc(OC)cc1 3364436 DUZGDSULMSCBFL-UHFFFAOYSA-N 447.542 2.352 0 40 IEAB CSCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(S(=O)(=O)c2cccs2)C1 4260285 FVCCFDMHDCWVTC-QWHCGFSZSA-N 439.584 2.019 0 40 IEAB biogenic,in-vitro CC(C)(C)Oc1ccc(C[C@H](NC(=O)CNC(=O)OCc2ccccc2)C(N)=O)cc1 4906446 VLPVQQNOTNODNR-IBGZPJMESA-N 427.501 2.303 0 40 IEAB CCOc1ccc(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 6600919 QIFIDFAVEWHZLU-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(=O)n(Cc2ccccc2)n1 8744944 JAIULRARQGARSO-UHFFFAOYSA-N 438.509 2.328 0 40 IEAB COc1cc(N2C(=O)[C@]3(Cc4cc(C)ccc4N(C)C3)C(=O)N=C2O)cc(OC)c1OC 9089990 LTVLCRGFNMEUCZ-QHCPKHFHSA-N 439.468 2.487 0 40 IEAB CCc1nnc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3C)n2C)s1 9263973 KVFAIQPWQMDSOK-UHFFFAOYSA-N 431.547 2.449 0 40 IEAB O=C1Cc2cc(S(=O)(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)ccc2N1 9882543 RDLBIDQERDXITO-UHFFFAOYSA-N 430.511 2.428 0 40 IEAB COc1cc2c(cc1OC)CN(S(=O)(=O)CCNC(=O)c1c(F)cccc1F)CC2 10705405 OWHNZFMGCIXQMT-UHFFFAOYSA-N 440.468 2.100 0 40 IEAB Cc1ccc(-c2nnn(C3CCN(C(=O)Cc4n[nH]c(=O)c5ccccc45)CC3)n2)cc1 12143208 BKYXVGJWAJRXSS-UHFFFAOYSA-N 429.484 2.291 0 40 IEAB CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)CC(=O)Nc1cccc(F)c1 12549520 BOHBMQZIXYRNKB-UHFFFAOYSA-N 448.520 2.119 0 40 IEAB CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccc1 12762275 AWTSXQOPACJJRJ-NRFANRHFSA-N 426.492 2.176 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1 14239936 UBAFLYDEAPBPIV-UHFFFAOYSA-N 434.518 2.033 0 40 IEAB O=C(c1ccccc1)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(Cc3cccnc3)C1)C2=O 19699692 YVFQDCABYFFADF-OAQYLSRUSA-N 447.539 2.273 0 40 IEAB O=C(NCC[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CCO1)c1ccc(-n2cnnc2)cc1 19712100 MXMPOQBTLREWSB-CTNGQTDRSA-N 440.525 2.409 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(CN2CCCC2=O)cc1 20486997 GUZQKHOSSDKEIG-UHFFFAOYSA-N 443.525 2.082 0 40 IEAB COc1ccc(OC)c(N2C(=O)C[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)c1 22609165 MKQBXXOZAACHFD-SFHVURJKSA-N 426.469 2.411 0 40 IEAB biogenic CCOc1ccccc1-n1ccn(CC(=O)Nc2ccc(OC)c(OC)c2)c(=O)c1=O 22726381 WOPDCCDBIARHPY-UHFFFAOYSA-N 425.441 2.054 0 40 IEAB CS(=O)(=O)N1CCN(C(=O)COC(=O)C2(c3cccc(Cl)c3)CCCCC2)CC1 22978323 UFRADSIVRSLHMB-UHFFFAOYSA-N 442.965 2.189 0 40 IEAB COc1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)N2CCOCC2)cc1 23107532 XPLSEMVRJBNRSI-FQEVSTJZSA-N 431.920 2.155 0 40 IEAB C[C@H](Oc1ccc(-n2cnnn2)cc1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 27976358 REHPTIXENBNYAC-NSHDSACASA-N 444.498 2.082 0 40 IEAB COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)c1 31065164 GWRMPTLUOGGPJZ-NVXWUHKLSA-N 426.469 2.477 0 40 IEAB O=C(Nc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1)N[C@H]1CCS(=O)(=O)C1 32088940 LWXSFPWSLZPXII-SFHVURJKSA-N 440.525 2.449 0 40 IEAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 32882067 VVNBIPOCPFIYFN-KDOFPFPSSA-N 433.892 2.110 0 40 IEAB COc1cccc(CNC(=O)C(=O)NCC2CCN(C(=O)c3ccccc3F)CC2)c1 43944092 OGQUHWCQAMMNQV-UHFFFAOYSA-N 427.476 2.119 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21)N1CCCCC1 57428229 MCVBJJHYUFMBIT-UHFFFAOYSA-N 427.482 2.014 0 40 IEAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCCN(Cc3cn4cc(Cl)ccc4n3)CC1)CS2 72292932 YLLGNBZSWWZMGK-UWJYYQICSA-N 447.992 2.476 0 40 IEAB CC(C)(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)NCCCN1CCC(O)CC1 84325623 VYRYPRPNLUKIKW-UHFFFAOYSA-N 427.549 2.207 0 40 IEAB CCOC(=O)c1csc(NC(=O)CN2C=Cc3cc(OC)c(OC)cc3CC2=O)n1 95476032 DASBCEQLWSZUHD-UHFFFAOYSA-N 431.470 2.331 0 40 IEAB O=C1C[C@H](C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)C2(CCCCC2)O1 105744507 VORSMZZPSNUUPP-UZLBHIALSA-N 447.557 2.221 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 223526131 UJJQONAVOOUGJJ-KRWDZBQOSA-N 447.557 2.015 0 40 IEAB COc1ccccc1[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 224003279 AEOAAFJJAZWECK-QGZVFWFLSA-N 431.558 2.431 0 40 IEAB O=C(c1cc(-c2cccnc2)on1)N1CCC(n2c(=O)[nH]c3ccc(F)cc3c2=O)CC1 225761639 HGTMGBZBYSEJNW-UHFFFAOYSA-N 435.415 2.356 0 40 IEAB CN(C)S(=O)(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 257245657 IQMUGXNQXFVWFW-QGZVFWFLSA-N 448.467 2.230 0 40 IEAB CC(C)(C)c1cc(C(=O)N2[C@H]3CC[C@H]2CC2(C3)NC(=O)N[C@H]3OCCC[C@H]32)nc(O)n1 257256984 KNPZIRPAOIWOHN-ZJOBFFGXSA-N 429.521 2.051 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCCN1CCOCC1 408597690 VVIZPFZJUGOVBV-UHFFFAOYSA-N 437.606 2.069 0 40 IEAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCCn1ccnc1 408624276 SAYWKGGYOKOIRG-UHFFFAOYSA-N 430.505 2.420 0 40 IEAB COc1ccc(-c2nnc(CN(C)C(=O)CN3C(=O)c4ccccc4C3=O)o2)cc1OC 408714143 JPZGCGCUANFNCI-UHFFFAOYSA-N 436.424 2.008 0 40 IEAB CC(C)NC(=O)N1C[C@@H]2CC[C@@H](CNC(=O)c3cccc(=O)n3C)N2Cc2ccccc21 2055747743 SEUINZSCEGKNMU-OALUTQOASA-N 437.544 2.086 0 40 IEAB Cn1c(=O)c2c(nc3n(-c4ccc5c(c4)OCCO5)c(-c4cccs4)cn23)n(C)c1=O 2234575 VRYIZHSKUQQIAV-UHFFFAOYSA-N 435.465 2.175 0 40 IEAB COC(=O)c1c(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)sc(C)c1C 3368523 QWOHPALAMHXLIA-UHFFFAOYSA-N 429.454 2.194 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cccc(OC)c2OC)c1 3385440 IEHKXSIVSLUDIS-UHFFFAOYSA-N 431.397 2.073 0 40 IEAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 3571345 OOEKBGPRZVYWDX-UHFFFAOYSA-N 446.456 2.368 0 40 IEAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 8880011 OFCXDEVBVUKANP-AOMKIAJQSA-N 440.496 2.347 0 40 IEAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)CC2=O)cc1 9036070 VQJNIMSWFLGPAX-OAHLLOKOSA-N 432.498 2.188 0 40 IEAB O=C(NCc1ccncc1)C(=O)NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1 9715249 IMGSXZXFTCQBSK-SFHVURJKSA-N 447.513 2.230 0 40 IEAB Cc1cc(C)n2c(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)nnc2n1 9716317 NTIHLVZLFQDQKA-UHFFFAOYSA-N 434.547 2.031 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CSc2nc(=O)n(CCCO)c3c2CCCC3)cc1 10256816 SQXYCRCOWRKGLD-UHFFFAOYSA-N 430.530 2.194 0 40 IEAB COc1ccc(C(=O)N(C)CCOc2ccccc2C)cc1S(=O)(=O)N1CCOCC1 11077835 ROAHQNIPUFMXDD-UHFFFAOYSA-N 448.541 2.176 0 40 IEAB CCn1cc(C(=O)O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21 11472108 CVGDXXINQHFVEM-AWEZNQCLSA-N 437.452 2.315 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)CC1 12096180 VQIREOZQNBAZRW-LPHOPBHVSA-N 444.528 2.335 0 40 IEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)c2ccccc2F)C[C@@H]1C(=O)N(C)C 12125056 PCETWAUVLRNYAQ-DVECYGJZSA-N 439.487 2.110 0 40 IEAB COc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)c1 12323533 GCSPNDPINPVZMD-GOSISDBHSA-N 445.479 2.406 0 40 IEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@H](C(=O)OC)[C@H]1c1ccc(C(=O)OC)cc1 12402740 DHTOEOYYVHNGHH-PMACEKPBSA-N 429.469 2.065 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1 12738497 LPYDIGGGSHCTLI-UHFFFAOYSA-N 442.537 2.459 0 40 IEAB COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1 12859092 GGXRPIUDXZERGT-UHFFFAOYSA-N 429.542 2.129 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)COc2ccccc2OCC)c(=O)[nH]c1=O 13075240 JIEOYVXFMKDZPY-UHFFFAOYSA-N 432.521 2.386 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N3C[C@H](C)O[C@@H](C)C3)[C@@H]2C(C)C)cc1 13856289 ISTXUHJULFKJCO-BXWFABGCSA-N 425.551 2.213 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 16072963 AZAIAAIJDOJWHT-OAHLLOKOSA-N 430.482 2.076 0 40 IEAB Cc1ccc(C(=O)N2CCc3nc([C@H]4CCCN4C(=O)[C@H]4CCCO4)[nH]c(=O)c3C2)s1 19216997 UMUTWDLWKVXLQC-IAGOWNOFSA-N 442.541 2.181 0 40 IEAB COc1ccc(Cn2nnnc2[C@H](c2cc3cccc(C)c3[nH]c2=O)N2CCOCC2)cc1 19236470 NSODHZGBSBGAST-QFIPXVFZSA-N 446.511 2.302 0 40 IEAB COc1ccc2c(c1)NC1(CCN(C(=O)CCn3ccnc3C(C)C)CC1)NS2(=O)=O 19454457 VJGKXZMHHKAUDQ-UHFFFAOYSA-N 447.561 2.128 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)cc1C 20016344 PLNDROZXKVURNB-HNNXBMFYSA-N 436.530 2.394 0 40 IEAB C[C@@H]1[C@@H](NC(=O)c2ccccn2)CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCOCC3)[C@H](O)[C@@H]12 20467193 XIIFBTOKVDWGPQ-OAVMLCATSA-N 443.588 2.498 0 40 IEAB biogenic,in-vitro CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCc1ccc(C(=O)OC)o1 21763224 RTBZWLBECMMPPA-UHFFFAOYSA-N 435.429 2.003 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1Cl 22246765 KFMRYLSXNBINCG-GOSISDBHSA-N 438.933 2.097 0 40 IEAB COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22795375 VTPORCONBJUXLM-FQEVSTJZSA-N 430.936 2.392 0 40 IEAB Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c(-n2cnnc2)c1 32646718 ICXKUPHSICFBMP-UHFFFAOYSA-N 441.513 2.378 0 40 IEAB Cc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)CC2)cc1 34888607 LOCFANASNCUYJH-QFIPXVFZSA-N 448.567 2.169 0 40 IEAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 36384999 YPXGAPDUFCQIQO-OAHLLOKOSA-N 446.910 2.380 0 40 IEAB CN(CC(=O)NCc1ccco1)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 36394682 LDLBEBIFMGZBDF-ZDUSSCGKSA-N 434.290 2.170 0 40 IEAB Cc1coc(NS(=O)(=O)c2ccc(-n3ccc4c(cnc5ncnn54)c3=O)cc2)c1C 38784104 NMRMEAGBAJUUQF-UHFFFAOYSA-N 436.453 2.439 0 40 IEAB COc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)Nc3c(C)cccc3C)n2)cc1 49421685 UBQRFXVBTLAQTD-UHFFFAOYSA-N 427.482 2.340 0 40 IEAB CCN(CC)CCN(CCOC)CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C 72313472 NOORCKPJVUYHFO-UHFFFAOYSA-N 429.609 2.455 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 72326406 WTWASGSZGKQJRU-PSLXWICFSA-N 435.484 2.176 0 40 IEAB COc1cc(/C=C/C(=O)N2CCC(c3nn(C)c(=O)n3C3CC3)CC2)cc(OC)c1OC 77148560 XVUVKFLQSVKLAL-VMPITWQZSA-N 442.516 2.362 0 40 IEAB CN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CCN(S(C)(=O)=O)CC1 95965756 BOMOXACGLVAHJV-UHFFFAOYSA-N 443.616 2.069 0 40 IEAB COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OC)cn1CC(=O)NCC(C)C)CC2 96115470 QEQPZIHIMIWQRH-UHFFFAOYSA-N 443.544 2.205 0 40 IEAB biogenic COc1cc(Cl)c(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC 214646749 WHPBRBHQMQQQDY-OVCLIPMQSA-N 426.878 2.252 0 40 IEAB CN(c1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1)S(C)(=O)=O 222582176 ISQIGIHJGLWFTG-UHFFFAOYSA-N 437.543 2.265 0 40 IEAB Cc1ncoc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257338265 YWRBCOFKBXGZTN-HFMPRLQTSA-N 426.561 2.202 0 40 IEAB COc1cccc(CN(C)CC(=O)N2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)c1 257340069 ZEHXJDJNDVWKDS-JOCHJYFZSA-N 448.527 2.161 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1c(F)cccc1F 512779859 UTAKPROVIDUUEZ-UHFFFAOYSA-N 425.457 2.162 0 40 IEAB CC(C)c1ncnc(N2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)c1F 1888913286 AQSSWPOKKOZUPP-OAHLLOKOSA-N 426.500 2.384 0 40 IEAB CCOc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4ncnc5c4ncn5CC)C[C@@H]3C2)cc1 1888947714 WDELTNQOCUFVPU-IYBDPMFKSA-N 442.545 2.002 0 40 IEAB C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NCCc1ccc3c(c1)OCCO3)C2=O 3422541 DVLKZWKOFMMBGP-NPMXOYFQSA-N 429.517 2.253 0 40 IEAB CC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1 4093151 MGOHCUFEHZCBPN-UHFFFAOYSA-N 443.997 2.350 0 40 IEAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cc(C)ccc3O)=C2)cc1OC 8587775 VICNXFNQBJYWBV-UHFFFAOYSA-N 431.470 2.220 0 40 IEAB COc1ccc(N2CCn3c2nn(Cc2ccc(Br)cc2)c(=O)c3=O)cc1 8849327 UFJMCZXIWRHSQI-UHFFFAOYSA-N 429.274 2.376 0 40 IEAB COC[C@H](C)n1c(C)cc(C(=O)CN2C(=O)C(=O)N(c3ccc(OC)cc3)C2=O)c1C 8987998 JFXJZLLYAIDJBV-AWEZNQCLSA-N 427.457 2.499 0 40 IEAB CCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(OC)c(OC)c3)CC2=O)cc1 9036081 ZOYMEFPLLZWBJR-OAHLLOKOSA-N 434.514 2.434 0 40 IEAB C[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccc1 9053000 ONZXUKUCRXXRMJ-IEBWSBKVSA-N 429.542 2.081 0 40 IEAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)N2N=CC=C[C@H]32)c1 9427502 LRYCHFPKSHAHJE-OTNPHJDUSA-N 431.448 2.301 0 40 IEAB O=C(COc1ccc(Cl)cc1Cl)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 9438546 ZVXSEXBTOAAOKY-UHFFFAOYSA-N 441.267 2.493 0 40 IEAB O=C(Nc1ccnn1Cc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9594521 LGAMUCIRIJTGGU-UHFFFAOYSA-N 426.498 2.205 0 40 IEAB Cn1c(SCC(=O)NC[C@@H]2CCCO2)ncc(C(=O)Nc2ccc(Cl)cc2)c1=O 9828829 SFLVJCDNCVMGFN-AWEZNQCLSA-N 436.921 2.073 0 40 IEAB NC(=O)c1cc2cc(F)ccc2nc1[C@H]1CCCN(C(=O)CCNC(=O)c2cccnc2)C1 12255716 OSSRTEXVJASFNG-INIZCTEOSA-N 449.486 2.394 0 40 IEAB C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)Nc1ccc(N(C)C)cc1 12515652 WGJAZZBWYSPYRO-NSHDSACASA-N 425.894 2.237 0 40 IEAB CCc1cccc(N2C[C@H](C(=O)NCc3ccccc3S(=O)(=O)N(C)C)CC2=O)c1 13017997 DPDOSNZBAWQRST-GOSISDBHSA-N 429.542 2.169 0 40 IEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 15638262 YPBIXZNIFFWKCG-MRXNPFEDSA-N 431.514 2.098 0 40 IEAB CNc1cc(CN(C)C)nc([C@@H]2CCCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)n1 19709761 VJKPEHKEIXUMRD-KRWDZBQOSA-N 447.561 2.267 0 40 IEAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1)C(=O)OC 20737591 UIDPEWTZKKKZDR-MAUKXSAKSA-N 434.880 2.215 0 40 IEAB COc1cccc(NC(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)c1 23135225 HSYZDBPYYFMUSP-UHFFFAOYSA-N 429.431 2.299 0 40 IEAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 25119594 VSUAUNWUVUNVOZ-QGZVFWFLSA-N 429.908 2.092 0 40 IEAB CCOC(=O)/C=c1\s/c(=C/c2ccc(C(C)(C)C)cc2)c(=O)n1CC(=O)NCC(C)C 33575898 RCKKDUPSEUACDP-VVPWPQJISA-N 444.597 2.152 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3OCC(=O)O)C2=O)o1 33783246 BKDOYPUCNNUQPK-QPEQYQDCSA-N 434.788 2.276 0 40 IEAB CCN(CC)C(=O)CN1CCCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)CC1 40118809 OWIIFYVLJMASQR-UHFFFAOYSA-N 426.565 2.170 0 40 IEAB COc1ccc(-c2cc(C(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3)n[nH]2)c(OC)c1 57477184 GOYMWFNYQWCMAW-UHFFFAOYSA-N 448.479 2.148 0 40 IEAB O=C(CNS(=O)(=O)c1cc(Br)ccc1Br)OCC1CC1 58247732 FBEFTEMXOHRAKG-UHFFFAOYSA-N 427.114 2.443 0 40 IEAB COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)cc1OC 67235324 JAOVTXBLIXEUTR-UHFFFAOYSA-N 448.479 2.362 0 40 IEAB CNc1nc(C2CCN(C(=O)CC[C@@H](C)N3CCCC3)CC2)nc2c1CCN(C(C)=O)C2 72372408 WUHICWUKJXYEFS-QGZVFWFLSA-N 442.608 2.393 0 40 IEAB O=C(c1c[nH]c(=O)n(Cc2ccccc2F)c1=O)N1CCN(c2ccccc2Cl)CC1 77099850 PWBLSPXEXBDGPG-UHFFFAOYSA-N 442.878 2.340 0 40 IEAB CCn1c(=O)c(C(=O)CN[C@H](C(C)(C)C)C(F)(F)F)c(N)n(Cc2ccccc2)c1=O 95962968 YRLHDTFUIYYBRB-GOSISDBHSA-N 440.466 2.410 0 40 IEAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)n2C 100811987 KTDHYTPMWJWJHZ-QZQOTICOSA-N 431.539 2.310 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@H]32)cc1 101168805 WWHDPDCERDVUFW-ROUUACIJSA-N 443.847 2.289 0 40 IEAB Cc1cccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)c1 220135819 QSJNFGWLQFDQFW-QGZVFWFLSA-N 445.541 2.261 0 40 IEAB Cc1ncc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@H]4CCCC[C@H]43)CC2)c(-c2ccccn2)n1 247966833 QRTIAKKMJHCLDY-YRWFTTLQSA-N 441.557 2.116 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@H](c2ccoc2)N2CCSCC2)cc1 253408475 XYSICPIAKUAUII-GOSISDBHSA-N 449.554 2.001 0 40 IEAB NC(=O)c1cnn2c([C@@H]3CCCN3C(=O)COc3ccc(CN4CCCC4)cc3)ccnc12 257288828 PVWTTWOUVHVZHP-FQEVSTJZSA-N 448.527 2.167 0 40 IEAB Cc1nc(N)cc(C2(C)CCN(C(=O)c3ccccc3OCCN3CCOCC3)CC2)n1 257289699 PZVGZAIPOIJKFZ-UHFFFAOYSA-N 439.560 2.272 0 40 IEAB CN(Cc1ccccc1)[C@H]1[C@H](NC(=O)CCC(=O)O)C[C@@H](Oc2ccccc2F)[C@@H]1O 257343539 ZTKPJLPTHWCOER-GNRVTEMESA-N 430.476 2.188 0 40 IEAB O=C(NCC[C@@H]1CCOC12CN(C(=O)Cc1ccc3c(c1)CCCO3)C2)c1ccncc1 306124177 BIHDOZFLGIWGJX-OAQYLSRUSA-N 435.524 2.387 0 40 IEAB O=C(C[C@@H](c1ccsc1)n1cnnn1)Nc1ccc(N2CCCCS2(=O)=O)cc1 524734968 VSJFVOCSWXMANV-KRWDZBQOSA-N 432.531 2.283 0 40 IEAB O[C@H]1CCN(Cc2cccc(OCCn3cccn3)c2)C[C@]1(O)COc1ccc(F)cc1 585282111 XUVNDMFCXGRBCP-ZEQRLZLVSA-N 441.503 2.478 0 40 IEAB CN(CC(=O)OCC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 8632044 CHMJOFLEGJGHDW-UHFFFAOYSA-N 436.917 2.483 0 40 IEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1C(=O)NCc1ccccc1 8815810 RUZHDEOJOMKKMB-UHFFFAOYSA-N 449.488 2.400 0 40 IEAB O=C(O)/C=C/C(=O)N(C[C@H]1CCCO1)[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O 9065189 CSEXFXUVFPQNRI-GULGNGMXSA-N 441.267 2.274 0 40 IEAB CCOC(=O)C1=C(COC(=O)CNC(=O)C2CCCCC2)NC(=O)N[C@@H]1c1cccs1 9127525 MYPACMNFXQPMJY-GOSISDBHSA-N 449.529 2.159 0 40 IEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(C3CC3)n2C2CC2)C1=O 9832096 NAVXQLNWIANIKD-HXUWFJFHSA-N 426.502 2.081 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@@H](c2cc(OC)ccc2OC)n2nnnc2N1 10232069 VAZWQMXYOZCZGH-GOSISDBHSA-N 439.403 2.154 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCc3sccc3C1)n2C 12216492 PUWGZLFGTMXVGJ-UHFFFAOYSA-N 432.571 2.403 0 40 IEAB CCOc1ccc(N2CCn3c2nnc(C(=O)N[C@H](C)CCCN(CC)CC)c3=O)cc1 12234078 RSBKJSOWAJIYDD-QGZVFWFLSA-N 442.564 2.429 0 40 IEAB COCCCN(C(=O)c1cc(C)nc2ccccc12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12820194 YDCAJWGFEUADKD-UHFFFAOYSA-N 439.516 2.315 0 40 IEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccccc1I 12893557 ZGUXCMJCTGIWGG-UHFFFAOYSA-N 444.294 2.270 0 40 IEAB C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 13059526 NYMXJHSZFQODSJ-KRWDZBQOSA-N 429.546 2.002 0 40 IEAB COCCN(C(=O)c1cc2c(s1)CCCCC2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14721839 CGHPMKOGQZTKPE-UHFFFAOYSA-N 434.562 2.398 0 40 IEAB COc1ccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1OC 16601282 XQIPNSUVKIKUMB-ZDUSSCGKSA-N 426.922 2.383 0 40 IEAB COc1ccc(OCC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(C(C)C)CC3)cc1 19448236 WKAWHENIQLTWKK-HXUWFJFHSA-N 426.517 2.288 0 40 IEAB CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc(C)cc3)[nH]c2=O)C1 19520459 ZKAFDPRMRCNZHI-IBGZPJMESA-N 444.557 2.154 0 40 IEAB Cc1cnc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN3CCCCCC3=O)CC2)cn1 19746971 TUIWSXPRMVGHIF-NRFANRHFSA-N 441.576 2.421 0 40 IEAB COCCCNC(=S)N(CCN1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 19823451 HGOUOOVXUGTMBN-UHFFFAOYSA-N 446.617 2.190 0 40 IEAB Cn1c(Cc2cccs2)nn(CN2CCN(CC(=O)N3CCCCC3)CC2)c1=S 23256840 BZJBPRLQPOHHQJ-UHFFFAOYSA-N 434.635 2.191 0 40 IEAB O=C(NCCCn1ccnc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 24613312 QVJDZMPPCZCUQZ-UHFFFAOYSA-N 442.944 2.424 0 40 IEAB COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc(=O)n(CCOc4ccccc4)n3)cc12 25016696 XMRIMDKWMOXOGK-UHFFFAOYSA-N 433.424 2.238 0 40 IEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CCN(S(=O)(=O)c2cccs2)CC1 33047626 XMFFOXKEFMQPFH-UHFFFAOYSA-N 426.585 2.322 0 40 IEAB Cc1ccc(OCc2nc(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)cs2)cc1 36398529 WWUDECGCQIIOAZ-UHFFFAOYSA-N 438.509 2.176 0 40 IEAB O=S(=O)(c1cc(F)ccc1F)N1CCN(Cc2csc(-c3ncccn3)n2)CC1 40153419 CILQNCFBTGXFEI-UHFFFAOYSA-N 437.497 2.385 0 40 IEAB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(CNC(=O)c3cccs3)cc2)C1 40154414 OLTFFPHNQLVNKT-MRXNPFEDSA-N 435.571 2.080 0 40 IEAB O=C1C[C@@H](C(=O)N2CCC[C@H](N3CCNC3=O)C2)CN1Cc1cccc(C(F)(F)F)c1 48286222 WPIVWZKBWUUEBD-WBVHZDCISA-N 438.450 2.070 0 40 IEAB CCN(Cc1nc(=O)c2ccccc2[nH]1)C[C@H](O)COc1ccc(C(C)=O)cc1OC 58140024 HJMSCMWFFNWLIA-KRWDZBQOSA-N 425.485 2.396 0 40 IEAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)c1cc2ccccc2oc1=O 70933455 QDKPPUVTHJUYQL-UHFFFAOYSA-N 427.482 2.019 0 40 IEAB NC(=O)CCn1cc(CN2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c2ccccc21 72336815 RCCQVPFDCDQDTJ-UHFFFAOYSA-N 428.496 2.220 0 40 IEAB Cc1nc(-c2cccc(NC(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)c2)oc1C 84061754 IKUKOOSWNUJECI-UHFFFAOYSA-N 438.488 2.064 0 40 IEAB Cc1cccc(C(=O)N2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)c1 96251469 OAKZDYVVNLNUQP-OFVILXPXSA-N 449.555 2.003 0 40 IEAB Cc1cccc(CN2CCn3c(nn(Cc4nc(-c5cccc(F)c5)no4)c3=O)C2=O)c1 98213106 XGUDZCHCBLHRID-UHFFFAOYSA-N 434.431 2.247 0 40 IEAB Cn1cc(C(=O)NC[C@H]2CC[C@H](c3c(C(=O)NCCO)sc4ncccc43)CC2)cn1 100688336 RVKCTSSTUUEVER-GASCZTMLSA-N 441.557 2.456 0 40 IEAB COc1ccc(-c2noc(COC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)cc1OC 102915566 CBRNDAJLZVUOCU-GJZGRUSLSA-N 441.440 2.138 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)CC1 220356823 UBJOJTGONJLDES-AWEZNQCLSA-N 431.942 2.104 0 40 IEAB O=C(c1ccc(N2CCOCC2)cc1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 220871176 DEBWNILDTOMQAM-QGZVFWFLSA-N 434.500 2.458 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225016613 ZNLAKVRIRMWFMW-INIZCTEOSA-N 433.530 2.325 0 40 IEAB CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@@H](O)Cn1ccc2ccccc21 257304004 SJRLFUOQQHALIH-JOCHJYFZSA-N 437.540 2.372 0 40 IEAB CCc1ccccc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC)S(C)(=O)=O 260574207 QKOOYHIFQILHSJ-GOSISDBHSA-N 445.585 2.487 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 408703988 HXFAANCOGGDKDQ-UHFFFAOYSA-N 431.514 2.429 0 40 IEAB C[C@H]1COCCCCC2(CCN(C(=O)c3ccccc3F)CC2)C(=O)N[C@@H](C)C(=O)N1 643565328 WTTAFHQYGYMGEZ-IRXDYDNUSA-N 433.524 2.258 0 40 IEAB O=C1NCCCCC2(CCN([C@H]3CCCC[C@H]3O)CC2)C(=O)NCCOc2ccccc21 643568940 VNKYMDADDHEYQS-LEWJYISDSA-N 443.588 2.481 0 40 IEAB Cn1cc(C(=O)N2CCN3C(=O)OC4(CN(c5ccc(F)cn5)C4)[C@@H]3C2)c2ccccc21 1549162968 ZANMZDGLEPMPSF-IBGZPJMESA-N 435.459 2.248 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 889639 SEMXYXFXSIZWGS-UHFFFAOYSA-N 437.949 2.463 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)cc1 932470 VHWIAWLRBKKAJX-UHFFFAOYSA-N 441.469 2.341 0 40 IEAB O=C(OCC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1)c1ccccc1C(=O)c1ccccc1 8778241 MVIFIKWXLKDGMH-SFHVURJKSA-N 441.505 2.253 0 40 IEAB C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 9515759 SRGFZXUEOWITFZ-HSZRJFAPSA-N 441.451 2.221 0 40 IEAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 9910835 KPKVJHGKLMMINS-UHFFFAOYSA-N 441.494 2.362 0 40 IEAB CCn1nnc2cc(C(=O)OCc3nc(CC(=O)Nc4ccccc4OC)no3)ccc21 10855880 LWRQUPUEPCOIJR-UHFFFAOYSA-N 436.428 2.381 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(Br)cc2Cl)cc1 11399443 IIBAAKJZRADTIQ-UHFFFAOYSA-N 447.738 2.488 0 40 IEAB CC(C)N1C[C@@H](C(=O)N2CCC[C@H](c3nc4ccc(F)cc4cc3C(N)=O)C2)CC1=O 12220174 XOGZHGSJWWUNFK-HOCLYGCPSA-N 426.492 2.436 0 40 IEAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 12548351 BITVYBRCNHVBDF-MRXNPFEDSA-N 446.463 2.414 0 40 IEAB Cc1cc(C)n(CCCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)n1 12554678 SOXQKGXZWKNSMG-UHFFFAOYSA-N 433.578 2.171 0 40 IEAB COc1cc(Cl)c(C)cc1NC(=O)CCn1c(=O)oc2cc(S(N)(=O)=O)ccc21 12933545 GZUJMSQNPOWUQK-UHFFFAOYSA-N 439.877 2.241 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1 13069987 XICZWPJBGUOCMI-QGZVFWFLSA-N 445.541 2.298 0 40 IEAB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)NCc1ccco1 13130772 HHBXEYLWCSTSPC-FQEVSTJZSA-N 432.432 2.347 0 40 IEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 13573735 KLXSEWYZOJWNMM-PGHPUMOWSA-N 432.318 2.474 0 40 IEAB COc1ccccc1C(=O)NCCc1nnc(SCC(=O)Nc2nc(C)cs2)n1C 13858112 BBYSKSDKUDJHQQ-UHFFFAOYSA-N 446.558 2.292 0 40 IEAB COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2O1 14571407 GOQAHAACBAYZEZ-FQEVSTJZSA-N 444.509 2.055 0 40 IEAB Cc1nc(N)cc(N2CCC[C@H](c3nc(N4CCOCC4)ncc3-c3cccnc3)C2)n1 19240914 MIQKPJLANBAZPW-SFHVURJKSA-N 432.532 2.440 0 40 IEAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H]3Nc4ccccc4S(=O)(=O)N3)C2)cc1 19592529 SEPNXCVKNCAWDJ-APWZRJJASA-N 429.498 2.056 0 40 IEAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(C(=O)c3ccc(=O)n(C)c3)CCO2)cc1 19692655 WVVLGBFMJMXWOF-HXUWFJFHSA-N 449.511 2.131 0 40 IEAB COc1ccc(CCNC(=O)c2sc3nc(CN4CCOCC4)[nH]c(=O)c3c2C)cc1 22024825 BNCHJIZKCCMDMI-UHFFFAOYSA-N 442.541 2.106 0 40 IEAB NC(=O)c1ccc(NC(=O)Cn2nc(C3CC3)c3cnn(-c4ccccc4)c3c2=O)cc1 22767902 OHDKRAIMLAITFM-UHFFFAOYSA-N 428.452 2.197 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccn(C)n1 24478106 OFNNNWFIUPOATL-CYBMUJFWSA-N 447.380 2.221 0 40 IEAB COc1ccccc1[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1nccn1C 32905106 OIAAUAPRKXEXFU-IFXJQAMLSA-N 446.504 2.140 0 40 IEAB CCCn1c(=O)c2ccccc2n2c(=O)n(CC(=O)NCc3ccccc3Cl)nc12 35479913 WIWFEKMLKYXDOW-UHFFFAOYSA-N 425.876 2.191 0 40 IEAB COC(=O)c1c(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)sc2c1CCC2 61123880 OHXWCFIGNYQFMS-UHFFFAOYSA-N 427.438 2.055 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)C2CCN(c3cc(-n4ccnc4)ncn3)CC2)n1 70637968 PRBPHYVAMXROFN-UHFFFAOYSA-N 441.517 2.080 0 40 IEAB Cc1ccc(CCNC(=O)[C@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)cc1 72326387 OLYDEYVINHMMBD-XDHUDOTRSA-N 435.528 2.002 0 40 IEAB Cc1nc(CC(=O)NC[C@H]2CC[C@H](c3ccc4c(=O)n(C)c(=O)n(C)c4n3)CC2)cs1 100707171 WWGVCYXAAMGNKY-GASCZTMLSA-N 441.557 2.030 0 40 IEAB Cc1cccc2s/c(=N/C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c12 100821252 NSQJEEFFXCSSKN-QZQOTICOSA-N 431.539 2.310 0 40 IEAB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 220218764 VDLIBTLVQPGYHT-CYBMUJFWSA-N 436.486 2.284 0 40 IEAB CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC)cc1 222868449 ASVICLXVOWQGQH-MRXNPFEDSA-N 449.548 2.220 0 40 IEAB Cc1nc2ccc(NC(=O)C[C@H]3CCCN(C(=O)CCN4C(=O)CCCC4=O)C3)cc2[nH]1 257219678 DHQLRCHNOZQLCM-MRXNPFEDSA-N 439.516 2.368 0 40 IEAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cc(=O)n(C)c(=O)n4C)C3)c2)cc1 257278278 OBOLAVUIWDEYTB-SFHVURJKSA-N 448.523 2.483 0 40 IEAB O=C(CN1C(=O)S/C(=C2\C(=O)Nc3ccccc32)C1=O)Nc1ccc2c(c1)OCCO2 409206545 PITCUCUOWQLYIU-ZCXUNETKSA-N 437.433 2.455 0 40 IEAB FC(F)(F)c1ccnc(N2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)n1 1888910657 LETRHCGGSAECHY-ZDUSSCGKSA-N 434.426 2.141 0 40 IEAB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2N)cc1 2361446 IFKGTYIVRQKTDN-UHFFFAOYSA-N 443.485 2.194 0 40 IEAB CC(=O)c1cccc(NC(=O)COC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 3393073 MGIVGGKQLSLZJW-UHFFFAOYSA-N 438.889 2.345 0 40 IEAB Cc1ccc(-n2c(SCC(=O)N(C)CC(=O)NC3CC3)nnc2N2CCCCC2)cc1 8724625 IKLUGSMBQANYEL-UHFFFAOYSA-N 442.589 2.395 0 40 IEAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccc(F)cc1 9127425 QXTKAQITIZVHNE-UHFFFAOYSA-N 434.489 2.474 0 40 IEAB CON(C)S(=O)(=O)c1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)ccc1Cl 9348994 WQUVHFQGJFECGA-UHFFFAOYSA-N 440.905 2.337 0 40 IEAB C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H]1c1cccn1C 9577785 WWKKEJBPMOMWMT-DYESRHJHSA-N 446.573 2.210 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cncn1-c1ccc(F)cc1 9669767 ZCKKKFIIAVAVCR-UHFFFAOYSA-N 430.461 2.285 0 40 IEAB O=C(NCCCN1CCCC1=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 10029103 MYYFIIQEEZCJTG-UHFFFAOYSA-N 434.345 2.176 0 40 IEAB Cn1c(=O)c2c(ncn2CCSc2nc(C(F)(F)F)nc3ccccc23)n(C)c1=O 12544449 XUPBHYFVQLMCQQ-UHFFFAOYSA-N 436.419 2.188 0 40 IEAB C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 12797173 GIYLHZYDYVTRPN-AWEZNQCLSA-N 433.496 2.459 0 40 IEAB NC(=O)Cn1c(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nnc1-c1cccs1 12917273 QKPZCYJGNQFWTR-UHFFFAOYSA-N 444.542 2.031 0 40 IEAB O=C(NCc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccccc2F)CC1 12977336 QKYOYNBVYHFNHE-UHFFFAOYSA-N 434.489 2.314 0 40 IEAB Cc1nc2ccccc2nc1COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 12985768 LVVSNJQXAGCOFL-UHFFFAOYSA-N 443.481 2.121 0 40 IEAB CCOC(=O)c1c(NC(=S)N2CCOCC2)sc2c1CCN(C(=O)OCC)C2 13658520 TVJDBXQFMCZQDZ-UHFFFAOYSA-N 427.548 2.468 0 40 IEAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2CCN(C(=O)[C@@H](C)N)CC2)cc1 16009823 ZAHVSQTWVUUWLF-GCJKJVERSA-N 436.556 2.247 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3cccc(C)c3)CC1)C2=O 19699360 LSLOTUCVGRGKNQ-UHFFFAOYSA-N 426.561 2.325 0 40 IEAB CNC(=O)c1cn(C)nc1CC1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)CC1 19756633 FAXBFWGSPZAARS-AWEZNQCLSA-N 444.605 2.254 0 40 IEAB COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)CN(C)C)CC2)cc1 19757125 BSVKLXRLLBZTLE-UHFFFAOYSA-N 425.533 2.389 0 40 IEAB CCOC(=O)C1=C(C)[C@@H]2C(=O)NC(CN3CCc4cc(OC)c(OC)cc4C3)=N[C@H]2S1 20548928 DFCGTMVAIPVROJ-NQIIRXRSSA-N 445.541 2.116 0 40 IEAB Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCOCC1 21156279 FCRZDFHWTZTULO-KRWDZBQOSA-N 440.422 2.052 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2c(c1)CCN2C(C)=O 22969820 TXGUOALDFAKQIA-OAQYLSRUSA-N 427.526 2.311 0 40 IEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(Cc4ccc(Cl)s4)CC3)ccc21 23844802 VXJUMTWUSWNYJX-UHFFFAOYSA-N 432.933 2.383 0 40 IEAB Cn1nc(Sc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)c(=O)n(C)c1=O 25047247 IXEHBJPNNLFMGL-UHFFFAOYSA-N 432.409 2.124 0 40 IEAB Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NCc1ccccc1Cn1cncn1 25151740 MAWYJSOWOXUXMX-UHFFFAOYSA-N 449.540 2.399 0 40 IEAB CCOc1c(Cl)cc(C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1OC 32333419 HKINFJUPUFREJD-UHFFFAOYSA-N 433.940 2.479 0 40 IEAB CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCc3ccccc3C2)cc1OCC 32896005 OQWFOCLRKKHUPQ-UHFFFAOYSA-N 440.496 2.342 0 40 IEAB C[C@@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccc(S(N)(=O)=O)cc1 32971703 PCDWNHFNZNSYRH-CQSZACIVSA-N 440.525 2.261 0 40 IEAB Cc1nc(-c2ccccc2)n(CN2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1 58208994 FRFIQNOLUXQEDV-UHFFFAOYSA-N 433.484 2.496 0 40 IEAB CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 89947865 PYFQTWVDQBWGHL-LJQANCHMSA-N 430.526 2.485 0 40 IEAB CN1C[C@H](NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)C(=O)N1 95464859 ISXKLTCPOSCXLJ-NRFANRHFSA-N 444.470 2.361 0 40 IEAB COC(=O)c1nn([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2ccccc12 95963957 VCUWYALMXMKOFV-ZDUSSCGKSA-N 425.441 2.078 0 40 IEAB Cc1cc(NC(=O)Cn2c(=O)/c(=C/c3ccsc3)s/c2=C/C(=O)C(C)(C)C)no1 105721960 BJONMEMEHYHTBV-DMJOVAHWSA-N 431.539 2.131 0 40 IEAB O=C(CCn1cnc2ccccc2c1=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 220841443 CPPHTHPVPMULHT-INIZCTEOSA-N 445.483 2.108 0 40 IEAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222704416 PCTAFXDBYXFZRE-LJQANCHMSA-N 445.585 2.392 0 40 IEAB Cc1nc(O)nc(O)c1CC(=O)N1CCN(C)C(=O)[C@H]1Cc1cccc(-c2ccccc2)c1 257329071 XIGLWOWKIICANX-OAQYLSRUSA-N 446.507 2.318 0 40 IEAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1 408612121 YNSZLWMIZYLZSW-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)c1 510981120 RSJIVOUUZPMSQN-MRXNPFEDSA-N 430.472 2.244 0 40 IEAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)O[C@H](C)C(=O)NC(=O)NC1CCCCC1 4144436 MHFRRFRASORURA-UKRRQHHQSA-N 439.534 2.221 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 4767817 YFBMUBWURXPHQP-HIFRSBDPSA-N 441.509 2.238 0 40 IEAB Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2CC(=O)NC[C@H]1CCCO1 8661426 OBDKFBDTOKTNJB-QGZVFWFLSA-N 427.526 2.185 0 40 IEAB O=C1[C@H]2CCCN2c2ccc(S(=O)(=O)N3CCOCC3)cc2N1Cc1ccccc1F 8672158 ZBCUBHUXIXRRKX-HXUWFJFHSA-N 445.516 2.362 0 40 IEAB COc1ccc(CCC(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1 8692376 ZCNGOSBFXUTNIN-UHFFFAOYSA-N 434.514 2.368 0 40 IEAB C[C@H](NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(S(N)(=O)=O)cc1 8862360 WPGWOOWKCATAAV-HIGJEIRPSA-N 433.574 2.234 0 40 IEAB COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 8995744 KEJSOGKXSWMHRK-FVJLSDCUSA-N 433.574 2.329 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 9491651 RQQLDIZFKUFDGZ-UHFFFAOYSA-N 425.532 2.476 0 40 IEAB CCOC(=O)C1CCN(C(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 9862619 PDGHFYXWQRQYEG-UHFFFAOYSA-N 425.551 2.202 0 40 IEAB O=C(/C=C/c1ccc(I)o1)NCc1ccc(N2CCOCC2)nc1 11126407 ZIBPOVPPGWPSNW-ZZXKWVIFSA-N 439.253 2.445 0 40 IEAB COc1ccccc1NC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031358 HEXUNNNCQNGUAI-CYBMUJFWSA-N 427.475 2.047 0 40 IEAB COc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1S(=O)(=O)NC1CC1 12561564 HOCJKKZZZNXSFT-UHFFFAOYSA-N 429.542 2.407 0 40 IEAB C[C@H]1Oc2ccccc2N(CC(=O)NCC(=O)Nc2ccccc2Br)C1=O 12926248 HIDZSYVKCGIKFS-GFCCVEGCSA-N 432.274 2.318 0 40 IEAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1C 12939455 YYAGZMFPBUYDES-UHFFFAOYSA-N 443.525 2.455 0 40 IEAB Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4F)CC3)nn2)c(C)c1C 13009416 IZQHPWIIFITKFK-UHFFFAOYSA-N 430.509 2.238 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4c(C)csc4n3)CC2)c(C)c1 13030256 LGVWZOUWYHZYMX-UHFFFAOYSA-N 432.571 2.188 0 40 IEAB COc1cc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc(OC)c1 13992228 BYPQNIWICYAOKC-UHFFFAOYSA-N 435.436 2.460 0 40 IEAB NC(=O)c1c(NC(=O)CN2CCC(C(=O)Nc3ccccc3O)CC2)sc2c1CCC2 15042829 SJMHOGRZBJLRFS-UHFFFAOYSA-N 442.541 2.331 0 40 IEAB O=C(c1cccc(N2C(=O)CCS2(=O)=O)c1)N1CCN(c2cccc(Cl)c2)CC1 15858514 HYOHDOLRQQYKAE-UHFFFAOYSA-N 433.917 2.369 0 40 IEAB COc1cccc([C@@H](NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2nccn2C)c1 17522351 NLFXYHWHXLKVQT-HXUWFJFHSA-N 426.498 2.381 0 40 IEAB COc1ccc(-c2cc([C@H]3CCN(S(=O)(=O)N4CCCC4)C3)nc(N(C)C)n2)cc1 19585121 GJIFRRYSURRAPC-KRWDZBQOSA-N 431.562 2.348 0 40 IEAB COc1cccc(S(=O)(=O)N(C)Cc2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)c1 19698112 RZYDCAIPTJUHSG-UHFFFAOYSA-N 430.530 2.304 0 40 IEAB CC(=O)N1C[C@H](c2ccc(CN(C)CC(=O)N3CCCc4ccccc43)cc2)[C@@H](C(N)=O)C1 19699220 ZJBJARGKOYXBRQ-PKTZIBPZSA-N 448.567 2.145 0 40 IEAB CNc1nc([C@@H]2CCCN(C(=O)Cc3cccc(OC)c3)C2)nc2c1CN(C(C)=O)CC2 19710528 LNJYWTQXXHOAEC-GOSISDBHSA-N 437.544 2.380 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)ncc1C(=O)NCc1ccccc1 19763454 PHDODHBTOOAFGA-LJQANCHMSA-N 435.528 2.043 0 40 IEAB CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(OC(F)F)cc1 19851985 XKALFFSKFBOSRG-UHFFFAOYSA-N 427.477 2.462 0 40 IEAB Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(F)ccc3Br)CC2)no1 36406144 KDLZDYMUYFSRNG-UHFFFAOYSA-N 425.258 2.281 0 40 IEAB CC(=O)Nc1cccc(NC(=O)Cn2nc(N3CCN(c4ccccc4)CC3)ccc2=O)c1 44902980 OVITUSFUOFPNPI-UHFFFAOYSA-N 446.511 2.167 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1 58161685 FBCBZJJWHGLZJI-UHFFFAOYSA-N 441.484 2.029 0 40 IEAB CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCC(n3ccnc3)CC2)c1 58166264 QPGFBZCHJSLLIU-UHFFFAOYSA-N 448.364 2.075 0 40 IEAB Cc1cc(C)n(CCN2CCN(C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)CC2)n1 62022073 ZLDSWNJOVIHBSM-UHFFFAOYSA-N 432.590 2.069 0 40 IEAB COc1ccc(-c2cc3nn(CC(=O)NCc4ccc(F)cc4F)c(=O)n3c(C)n2)cc1 65196718 LGNGBMXNBUGWEM-UHFFFAOYSA-N 439.422 2.470 0 40 IEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)NC2CCCC2)c1 71772601 FXKQGSUCWNCUAE-OAHLLOKOSA-N 432.546 2.018 0 40 IEAB C[C@@H]1CCCCN1C(=O)CN1CCC2(CC1)CN(S(C)(=O)=O)Cc1ccccc1O2 72394435 NYHABIHYOISKDM-GOSISDBHSA-N 435.590 2.076 0 40 IEAB O=C(COc1ccc2c(c1)OCO2)N1CCC([C@@H]2C[C@H](C(F)F)n3ncnc3N2)CC1 72395654 BFOFLCTZFYHCND-LSDHHAIUSA-N 435.431 2.315 0 40 IEAB CCN1C[C@H]2C3(CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)CC[C@@]2(C(=O)N(C)C)C1 96143884 JGHCYRJHELZHRI-NZQKXSOJSA-N 449.617 2.286 0 40 IEAB CCN1CC[C@]2(CN(CCOC)CC23CCN(C(=O)c2cc(F)cc(F)c2)CC3)C1=O 96144361 OPMXPMFQLFIUNF-QHCPKHFHSA-N 435.515 2.388 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103067467 LBXPIUSKYDQJQT-HDICACEKSA-N 438.484 2.146 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)CC1 222640466 RXQFCHMSZJCWTO-UHFFFAOYSA-N 425.551 2.096 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 223518859 OYSJXBJSLPIHRD-KRWDZBQOSA-N 447.557 2.015 0 40 IEAB COC[C@@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 408615471 APHOYXGFGNZHBA-MRXNPFEDSA-N 436.530 2.359 0 40 IEAB C[C@H](NC(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1cc(F)ccc1N1CCN(C)CC1 624646848 DEDSFGYWNGRZSK-INIZCTEOSA-N 445.539 2.009 0 40 IEAB CCCN1CC(=O)N2CC[C@@H](CC(=O)NCCOC)[C@@H](C=CCOc3ccccc3C1)C2 958317892 XBZYITVCLLWLMB-SFTDATJTSA-N 443.588 2.465 0 40 IEAB CC(C)c1ncnc(N2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)c1F 1888913285 AQSSWPOKKOZUPP-HNNXBMFYSA-N 426.500 2.384 0 40 IEAB COc1ncc(CN2CCO[C@]3(CO[C@H](C(=O)NCc4ccc(F)cc4)C3)C2)cc1C 2056226198 MRGSNWQHGTYQOY-REWPJTCUSA-N 429.492 2.214 0 40 IEAB O=C(NCc1ccccc1)C(=O)Nc1ccc(NC(=O)C(=O)NCc2ccccc2)cc1 2255630 QEVBXUNWXQPYQB-UHFFFAOYSA-N 430.464 2.196 0 40 IEAB CC(C)CNC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 2291724 YRVZNOSUNINVHR-UHFFFAOYSA-N 438.513 2.189 0 40 IEAB COc1cc(C(=O)NC2CCN(CC(=O)NC3CCCCC3)CC2)cc(OC)c1OC 4909318 IPKGODQRPYVLKM-UHFFFAOYSA-N 433.549 2.356 0 40 IEAB O=C1C[C@H](NC2CCCC2)C(=O)N1c1ccc(N2C(=O)C[C@@H](NC3CCCC3)C2=O)cc1 8412373 IEWZFJUOTRWATK-BGYRXZFFSA-N 438.528 2.015 0 40 IEAB CCN(CC)CCn1c(C)c(C)n2c3c(=O)n(Cc4ccc(C)cc4)c(=O)n(C)c3nc12 8709891 IZOQYKVADFINKY-UHFFFAOYSA-N 436.560 2.465 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccncc3)c(=O)c2[C@H]1c1ccc(OC)cc1 9242811 ZDSHNABCTJAVDT-LJQANCHMSA-N 433.464 2.476 0 40 IEAB CN(C)S(=O)(=O)c1cccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 9539434 NNNBFADVJOVJJC-UHFFFAOYSA-N 437.827 2.410 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CCSc3ccccc32)c1 9815070 LYHBIGOKONCBBM-KRWDZBQOSA-N 435.571 2.232 0 40 IEAB COC(=O)c1ccc(NC(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)cc1 9821369 KZSNRGVBTAKFDT-UHFFFAOYSA-N 432.436 2.116 0 40 IEAB COc1cc(C(=O)Nc2ccc3c(c2)OCCCO3)ccc1OCC(=O)N1CCOCC1 9823049 QKFXKEALHJBWMO-UHFFFAOYSA-N 442.468 2.346 0 40 IEAB CCCCN(C(=O)COC(=O)/C=C/c1ccc(F)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O 9884025 WALHHAAZFOYXHX-DHZHZOJOSA-N 446.479 2.058 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)CSc2nnnn2-c2cccc3ccccc23)cc1 10382184 HIEIDEKEJDRYLE-UHFFFAOYSA-N 440.510 2.194 0 40 IEAB Cc1ccc(OC[C@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1C 10385404 CBFRLZASIYRVPU-QGZVFWFLSA-N 441.532 2.225 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 12882412 BMYAILLNUOZRDB-WMZOPIPTSA-N 448.523 2.393 0 40 IEAB biogenic CCS(=O)(=O)N1CCC(NC(=O)c2cc(OC)c(Br)c(OC)c2)CC1 12912523 OKPNEMRWOICLMU-UHFFFAOYSA-N 435.340 2.010 0 40 IEAB CCCCn1c(N)c(N(CCC)C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)c(=O)[nH]c1=O 14699372 VHXTXBWNANGKRE-UHFFFAOYSA-N 433.509 2.097 0 40 IEAB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16022257 AWQDYKVTPRVKJN-HCRVJICOSA-N 437.471 2.293 0 40 IEAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=O)n(-c3ccc(Cl)cc3)c1=O)NCC2 16996417 BKXXKCNWHLPJKW-GOSISDBHSA-N 429.860 2.137 0 40 IEAB biogenic COc1cccc([C@]2(O)CCC[C@H]3CN(C(=O)c4cnc(N5CCOCC5)nc4)C[C@@H]32)c1 19565054 IZKDBIFUIBSLHB-CODAWKSHSA-N 438.528 2.082 0 40 IEAB CN1C[C@H](C(=O)N2CCC([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)CC1=O 19587175 SUSXODIURCTLPR-GCJKJVERSA-N 438.503 2.409 0 40 IEAB CNc1nc(C2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)nc2c1CN(C)CC2 19711401 UPAUPACERBSHCI-KRWDZBQOSA-N 434.544 2.338 0 40 IEAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCC(=O)N2Cc1ccccc1 19741435 YUYWOBBKKYNQFF-GOSISDBHSA-N 443.573 2.250 0 40 IEAB CCN1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2OC)CC1 19819902 OWIJFAWQPUOWSM-LJQANCHMSA-N 447.557 2.081 0 40 IEAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(Cc4ccccc4)CC3)=C2)cc1 20366879 KBJOHEOENPMVLI-UHFFFAOYSA-N 438.553 2.203 0 40 IEAB CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 20489336 QALVCRAIRHMWHA-UHFFFAOYSA-N 434.514 2.045 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(N(C)C)nc1 22395011 GIXAMGFYGYABFU-OAHLLOKOSA-N 426.539 2.325 0 40 IEAB CCOC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)N[C@@H]1c1ccccc1 26912367 VOFWWAQAQSYROK-LJQANCHMSA-N 444.532 2.410 0 40 IEAB COc1ccc(OC[C@H](O)Cn2c(C[C@H]3CCS(=O)(=O)C3)nc3ccccc32)cc1 40050656 LJUFBHDVDXKGQB-IAGOWNOFSA-N 430.526 2.462 0 40 IEAB C[C@H]1CN(C2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)CCO1 40135646 AQRBPFDTAKLMLY-SFHVURJKSA-N 435.590 2.187 0 40 IEAB CCCn1c(=O)c2ccccc2n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O 57477575 LMFABEBARLSUHA-UHFFFAOYSA-N 427.457 2.238 0 40 IEAB Cn1cnnc1SCCNC(=O)[C@@H]1CCCN(Cc2nc(-c3cccs3)no2)C1 62022936 PGWDBOSOBZHVLZ-CYBMUJFWSA-N 433.563 2.047 0 40 IEAB CCCCCOC1CN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C1 72309964 PZBSHOBPECMNRW-UHFFFAOYSA-N 436.578 2.174 0 40 IEAB Cc1nc(C)n([C@H](C)CC(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)n1 72337193 MCKXJYRVEDWUHK-OAHLLOKOSA-N 441.580 2.496 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)NCC2CCN(C(=O)COc3ccccc3)CC2)cc1 77200899 YJXPVOKIWHPOTI-UHFFFAOYSA-N 446.525 2.069 0 40 IEAB CC1=C[C@H]2C(=O)NC(CSCC(=O)Nc3ccc(Cn4cncn4)cc3)=N[C@@H]2S1 94992938 ZSYDHKUBHCTZGJ-HNAYVOBHSA-N 428.543 2.119 0 40 IEAB CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nc(SC(C)C)n[nH]2)cc1F 95448003 GHTDBBZLDILXBY-UHFFFAOYSA-N 437.544 2.397 0 40 IEAB CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)N3CCOCC3)CC2)c2ccccc21 96242223 SEDMIRPKHUZIKS-LJQANCHMSA-N 428.577 2.028 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCc3nc(-c4cccc(F)c4)nc(NC4CC4)c3C2)c1 96254232 COMIASHBFBNDCH-UHFFFAOYSA-N 428.493 2.338 0 40 IEAB O=C1C2=C(C(c3ccccc3)=NCCN2)[C@@H](c2ccc(F)cc2)N1CCN1CCOCC1 96319573 PNBVAMVTDGOGIT-XMMPIXPASA-N 434.515 2.388 0 40 IEAB C[C@@H](CC(=O)N1CCOCC1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 97102066 UKKQWMGTMZPXAD-INIZCTEOSA-N 433.940 2.145 0 40 IEAB CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc2c(c1)OCCO2 224826891 AKNSZCYMPDMJIM-UHFFFAOYSA-N 449.481 2.393 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCCN1CCc2ccccc2C1)Cc1ccccc1F 225028033 UYHXSGKNSVKEHD-UHFFFAOYSA-N 433.549 2.152 0 40 IEAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)sc(=O)n4C)n2)cc1 225684587 VFQPLHXHHOIRLY-UHFFFAOYSA-N 446.510 2.479 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](Oc2ncccc2Br)C1 238959506 YHSUUFQXMDLZBD-CYBMUJFWSA-N 429.274 2.234 0 40 IEAB COc1cc(-c2nc3sc(=Cc4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc(OC)c1OC 254392390 JVPZFOAMCPPYJZ-UHFFFAOYSA-N 440.437 2.300 0 40 IEAB CCN1CCN(C(=O)Cn2cccnc2=O)[C@H](Cc2cccc(-c3cccs3)c2)C1=O 257336640 YPHYFKAJTWOCGB-LJQANCHMSA-N 436.537 2.274 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCn3ccnc3)C2)cc1C 408587834 CJZPDZNCPCJZGH-GOSISDBHSA-N 434.562 2.197 0 40 IEAB C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)C1 408614838 ITLZUAZIVCFWSL-CABCVRRESA-N 445.903 2.207 0 40 IEAB C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2ccn(-c3ccccc3F)n2)C1=O 527323514 LBLLSUYANABGTR-OAQYLSRUSA-N 442.472 2.382 0 40 IEAB CN(Cc1ccccn1)C(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2C(=O)c2cn(C)nc2C(F)F)O1 585108524 AXVOVVZHAXNYIA-ZACQAIPSSA-N 433.459 2.173 0 40 IEAB CCn1ncc(NC(=O)c2ccn(COc3c(OC)cccc3OC)n2)c1C(=O)N(C)C 2728704 KAWGFGHYJRAMOM-UHFFFAOYSA-N 442.476 2.107 0 40 IEAB O=C(C[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)N1CCN(c2ccccc2F)CC1 2968793 DIPOCPBPIMLASD-QGZVFWFLSA-N 437.500 2.232 0 40 IEAB C[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)OCC(=O)c1ccc(Cl)cc1 3231858 JYTFSHPQQWEQFE-SNVBAGLBSA-N 439.902 2.438 0 40 IEAB O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)cc1)NC[C@@H]1CCCO1 6551480 CCPWGOJODMWBNF-INIZCTEOSA-N 434.493 2.329 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccccc1OC 8654031 YTHIOHBSVNKYJY-JKALPCAWSA-N 435.505 2.202 0 40 IEAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)c2ccccc2)CC1 8918296 MIPJYVKCKARBQP-YOEHRIQHSA-N 433.505 2.080 0 40 IEAB biogenic Cc1sc2ncnc(N3CCC(C(=O)OCc4nc(N)nc(N(C)C)n4)CC3)c2c1C 8941871 MXROOFBKBWYNQU-UHFFFAOYSA-N 442.549 2.101 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)c(F)c1 9096369 HJICFHGOBZIWHN-UHFFFAOYSA-N 427.448 2.219 0 40 IEAB CCCn1c(=O)c2c(nc3n(CCc4ccc(OC)c(OC)c4)c(C)c(C)n23)n(C)c1=O 9242971 VALCIGJUWJYWOD-UHFFFAOYSA-N 439.516 2.436 0 40 IEAB COc1ccc(NC(=S)N(CCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 9704186 MXQQGDGBGTYBAR-UHFFFAOYSA-N 441.509 2.499 0 40 IEAB COCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1 9882462 KKIWXKVSDVEAMU-UHFFFAOYSA-N 434.514 2.246 0 40 IEAB COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)cc1S(=O)(=O)N(C)C 10790873 JNECDUIQTWBEBJ-HNNXBMFYSA-N 446.525 2.076 0 40 IEAB CCOc1ccc(-c2nnc3n(Cc4ccc(C)cc4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 10970015 NEUUBGFHJBFFKS-UHFFFAOYSA-N 430.468 2.493 0 40 IEAB O=C(CN1c2ccc(Br)cc2-c2ccccc2S1(=O)=O)N1CCOCC1 11121078 YBUUUVWBKBGYHS-UHFFFAOYSA-N 437.315 2.484 0 40 IEAB COc1ccc(CCN2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1OC 12815182 AGHCYRURKKOEKO-FQEVSTJZSA-N 437.540 2.444 0 40 IEAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C 12896570 OLOUSJVXQGYIBY-UHFFFAOYSA-N 437.493 2.094 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3OCC)CC2)cc1 13031579 WWGTXMDRWCYLKL-UHFFFAOYSA-N 447.557 2.429 0 40 IEAB Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1 13041310 AOHMBVIPWGEMAT-UHFFFAOYSA-N 427.448 2.357 0 40 IEAB COc1ccc(NC(=O)COc2ccc(F)cc2Br)cc1S(N)(=O)=O 13138218 JKWPKNOJVPELJU-UHFFFAOYSA-N 433.255 2.262 0 40 IEAB CN1CCN(P2(N3CCN(C)CC3)=NC(C(F)(F)F)=NC(C(F)(F)F)=N2)CC1 13301318 WIXOSXYTMXAUTQ-UHFFFAOYSA-N 433.341 2.363 0 40 IEAB O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc2c(c1)OCCO2 13681620 FTMAVLGJRXLIIW-HNNXBMFYSA-N 439.424 2.026 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)NCc2cc(Cl)c3c(c2)OCCCO3)c1=O 14070217 WBNHMWAWPCXKRM-UHFFFAOYSA-N 443.887 2.314 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2ccc(N3CCCC3=O)cc2)C1=O 14084233 MKAUQWOOSNJCPX-DEOSSOPVSA-N 434.496 2.330 0 40 IEAB COc1cc(Br)c(CC(=O)N(C)CC(=O)NCc2ccco2)cc1OC 14230711 VYLPYKNFHSFBAP-UHFFFAOYSA-N 425.279 2.377 0 40 IEAB COCCn1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nc2cc(Cl)ccc2c1=O 15042991 RVOPZYQEOORUQK-BETUJISGSA-N 425.938 2.424 0 40 IEAB CCCN(C(=O)c1cc(=O)[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 16681228 HXODBMDGXUALEA-UHFFFAOYSA-N 445.479 2.065 0 40 IEAB O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1nnc(Cc2ccccc2)s1 16685349 DWTAPULZGGNPAJ-QFIPXVFZSA-N 449.492 2.297 0 40 IEAB CCN1CCN(C(=O)c2cn(C[C@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 17288413 AFRLXKNNAFOGTE-LJQANCHMSA-N 435.528 2.096 0 40 IEAB Cc1cc(=O)c(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)nn1-c1ccccc1 18385816 SGSIRDSSOSUHCY-UHFFFAOYSA-N 446.463 2.229 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCN2CCOCC2)c2cc(C)cc(C)c2)cc1 20567943 YWVXNLHSFRMZMO-UHFFFAOYSA-N 445.585 2.256 0 40 IEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 20738387 PIJQZANUACJWBY-HRAATJIYSA-N 435.480 2.430 0 40 IEAB CCN(c1cc(OC)c(OC)cc1C(=O)NCCc1ccc(OC)cc1)S(C)(=O)=O 22251820 DGLXLJUEBOTUDD-UHFFFAOYSA-N 436.530 2.471 0 40 IEAB Cc1ccccc1CN1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 22804207 INPQQXMOGNQFGG-QFIPXVFZSA-N 433.618 2.071 0 40 IEAB O=C(CN1CCN(CC(=O)c2ccc(N3CCCC3=O)cc2)CC1)Nc1cccc(F)c1 22925273 RVKTZRGJCAKTHA-UHFFFAOYSA-N 438.503 2.392 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1OC 28209438 LHFQKCZMZDSXQQ-GOSISDBHSA-N 446.525 2.051 0 40 IEAB CCn1c(N2CCN(C(=O)c3cccs3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555675 YEMJMYVDWQSNIV-UHFFFAOYSA-N 426.498 2.212 0 40 IEAB O=C(COc1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382481 VBKPBVCWRJHZFS-RTBURBONSA-N 426.444 2.408 0 40 IEAB O=C(Cn1cnc2nc(N3CCCCC3)sc2c1=O)Nc1ccc2c(c1)OCCO2 45970168 AHXUASJTIRKMMS-UHFFFAOYSA-N 427.486 2.253 0 40 IEAB CCCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccccc4C)CC3)snc2c1=O 49409861 JKRYHGAPAHBIJW-UHFFFAOYSA-N 427.530 2.217 0 40 IEAB C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C 56898854 VDJHFHXMUKFKET-UXMMOKKRSA-N 430.541 2.332 0 40 IEAB in-vitro C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(OCc3ccncc3)c2)C[C@H](C)O1 58379637 BYGHNYOZENQJKR-IRXDYDNUSA-N 448.545 2.221 0 40 IEAB CCc1nnc2c(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3n12 64871606 XWLOXFOMIIQARZ-UHFFFAOYSA-N 434.475 2.095 0 40 IEAB COc1ccc2c(C)c(CC(=O)NCCCc3nnc4ccccn34)c(=O)oc2c1OC 72325782 DTYGWEBUXSRJFI-UHFFFAOYSA-N 436.468 2.453 0 40 IEAB biogenic COC(=O)c1sc(NC(=O)CCN2CCC[C@@H](C3OCCO3)C2)c(C(=O)OC)c1C 84026735 PVCFVHASRFKKFM-CYBMUJFWSA-N 440.518 2.043 0 40 IEAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2cccc(S(N)(=O)=O)c2C)cc1 95435844 DOQIEFIWHPRADF-GOSISDBHSA-N 434.514 2.464 0 40 IEAB CC1([C@H]2CCCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)OCCO1 96010290 GYKBUFTXJYHMOW-IRXDYDNUSA-N 440.537 2.228 0 40 IEAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2cc3ccc(OC)cc3n(C)c2=O)o1 96114956 SZWXFNNSYOKQEM-OAHLLOKOSA-N 429.425 2.047 0 40 IEAB biogenic COc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(C(=O)COc2ccc(F)cc2F)C3)c(OC)n1 100729196 MHULFASMCUISBV-ZIAGYGMSSA-N 449.454 2.297 0 40 IEAB C[C@H]1Cc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2N1S(=O)(=O)c1ccccc1 223070820 XINQBOGGXMOISM-HNNXBMFYSA-N 427.526 2.164 0 40 IEAB Cc1ccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)n2)cc1 223218725 BFGOPFZFYGRHML-UHFFFAOYSA-N 436.519 2.360 0 40 IEAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)CN3CCCCS3(=O)=O)C2)o1 257257369 KPHTVSOQVVXZHL-SFHVURJKSA-N 447.557 2.406 0 40 IEAB COc1ccc(-c2ncnc(N3CCN(S(=O)(=O)c4c(C)n[nH]c4C)CC3)c2F)cc1 1775972439 GLXGAYUOQJBMHK-UHFFFAOYSA-N 446.508 2.142 0 40 IEAB COc1ccc(-c2ncnc(N3CCN(S(=O)(=O)c4cccnc4)CC3)c2F)cc1 1775972881 ZZALZAQDKNQYDP-UHFFFAOYSA-N 429.477 2.197 0 40 IEAB COc1cc(C)c(C)cc1S(=O)(=O)N1CC(n2nc(-c3ccncc3)ccc2=O)C1 1775978385 RCIUMSGKRVZILD-UHFFFAOYSA-N 426.498 2.176 0 40 IEAB COc1cc(=O)n(C)cc1C(=O)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888906862 VYSHAAZGOBEYKD-QZTJIDSGSA-N 431.496 2.059 0 40 IEAB CCOCCOc1ccc(CN(C)C[C@@]2(O)CCN(c3cncnc3N(C)C)C2)cc1 2037918658 DHTDYVPATYWEBL-QHCPKHFHSA-N 429.565 2.031 0 40 IEAB COc1ccc(-c2cnc(N3CCN(C(=O)c4cccc(=O)n4C)CC3)c3nccn23)cc1 2055738669 IKDXLQRZPCOBPX-UHFFFAOYSA-N 444.495 2.066 0 40 IEAB CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)N(NC(=O)c2cccc(F)c2)C1=S 976065 NKNKLCGGGGEKKG-INIZCTEOSA-N 432.452 2.456 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 3342088 IBEKKSWTAQFVRI-UHFFFAOYSA-N 442.877 2.149 0 40 IEAB O=C(OCn1nnc2ccccc2c1=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 3362188 JRNASJCOSKKINH-UHFFFAOYSA-N 425.404 2.305 0 40 IEAB Cc1cccc(-n2c(S[C@@H](C)C(N)=O)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1 3426151 LLMZJFAVXNCYMB-AWEZNQCLSA-N 445.570 2.459 0 40 IEAB CNC(=O)NC(=O)[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)c1ccccc1 3558314 XKJVLHQBQBNWDG-HXUWFJFHSA-N 448.479 2.477 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2COc3ccccc3O2)c1 8685538 MGMYFQQEFNSJHT-IBGZPJMESA-N 448.497 2.039 0 40 IEAB CSc1nc(COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc(=O)[nH]1 9316880 CURGSHRGARWYMB-UHFFFAOYSA-N 437.543 2.332 0 40 IEAB O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NC1CCN(Cc2ccccc2)CC1 10213353 JFNMZNFXEMVOJW-UHFFFAOYSA-N 434.540 2.324 0 40 IEAB O=S(=O)(NCCOc1ccc2nnc(-c3cccc(F)c3)n2n1)c1cccc(F)c1 11694555 QFLUFKAROZNNLH-UHFFFAOYSA-N 431.424 2.427 0 40 IEAB COc1ccc([C@@H]2OC(=O)N(CCN3CCOCC3)[C@]2(O)c2ccc(OC)cc2)cc1 12420528 IDMMCXPEDHIIMH-GMAHTHKFSA-N 428.485 2.375 0 40 IEAB COCCN(C(=O)C(=O)NC1CCCC1)[C@H](C(=O)NC1CCCC1)c1ccccc1F 12641207 GIBKCENTAMKBIQ-FQEVSTJZSA-N 433.524 2.459 0 40 IEAB COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(N3CCN(C)CC3)nc2)C(C)C)cc1 12756976 RJAGQLZYYSXNBP-NRFANRHFSA-N 425.533 2.235 0 40 IEAB COc1ccc(-n2nnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 13141018 ABHBKCYRSJKWFB-UHFFFAOYSA-N 430.515 2.051 0 40 IEAB O=C(CN(C[C@@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1)NCc1ccc(F)cc1 13501672 HRVDRHMVVKJJMB-KRWDZBQOSA-N 448.520 2.325 0 40 IEAB COc1ccccc1/C=c1\sc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2c1=O 13838471 UJJMVTQLPUYHGK-BOPFTXTBSA-N 425.466 2.400 0 40 IEAB Cc1ccccc1OCc1n[nH]c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)n1 14157349 PTYYMGVYLMTJPO-UHFFFAOYSA-N 444.517 2.070 0 40 IEAB CCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3sc(=O)[nH]c3C)CC2)cc1 14170394 OZXAKVIWYJFSTP-UHFFFAOYSA-N 439.559 2.070 0 40 IEAB O=C(CN1CCN(c2cn[nH]c(=O)c2Cl)CC1)Nc1ccc(OC(F)(F)F)cc1 15116613 MDODGBBKGLULFP-UHFFFAOYSA-N 431.802 2.083 0 40 IEAB O=C(Nc1nc(CCC(=O)N2CCN(c3ccccc3)CC2)cs1)c1ccc(=O)[nH]c1 16851260 CYSCUCRVUYFMNQ-UHFFFAOYSA-N 437.525 2.365 0 40 IEAB O=C(c1ccc2ncsc2c1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19079788 VGQNFCGQDXDSJQ-UHFFFAOYSA-N 445.551 2.448 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[nH]c2=O)C1 19404960 KFNMUIFFUZOTLH-OXQOHEQNSA-N 433.512 2.383 0 40 IEAB CN1CCN(CC(=O)N2CCC[C@H](c3nc(O)c4c5c(sc4n3)CCCC5)C2)CC1 19589978 HZMTZFDTQUFLLD-HNNXBMFYSA-N 429.590 2.229 0 40 IEAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CC3CCCC3)C1)C2=O 19699578 BBUZTAHZZGIDKX-GOSISDBHSA-N 432.565 2.127 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCOc1ccc(Cl)cc1 21904504 DPSTWILHJQNNHJ-UHFFFAOYSA-N 438.933 2.478 0 40 IEAB CCOc1cc2c(cc1CNC(=O)c1ccc(CCNS(C)(=O)=O)cc1)O[C@@H](C)C2 24081752 FTRFIQAMBYGKSB-HNNXBMFYSA-N 432.542 2.430 0 40 IEAB Cc1oc(CO)cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 32850625 YTYKUYBRCWYSLB-NSHDSACASA-N 444.893 2.168 0 40 IEAB CN1CCN(Cc2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)cc2)CC1 32921820 DPULHCYJYKNCGE-QFIPXVFZSA-N 442.585 2.226 0 40 IEAB O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)Nc2nnc(C3CC3)s2)c1 40152254 PUQWXBAAKUVVMH-UHFFFAOYSA-N 430.534 2.398 0 40 IEAB O=C(NCCN1CCN(C(=O)NCCCc2ccccc2)CC1)c1ccc2c(c1)OCO2 44227228 GDVZPQRRHCXHJL-UHFFFAOYSA-N 438.528 2.105 0 40 IEAB CCOC(=O)c1ccn(-c2cccc(NC(=O)NCc3ccc(-n4cncn4)nc3)c2)n1 57587254 UGHRUZFSFWYFED-UHFFFAOYSA-N 432.444 2.346 0 40 IEAB O=C(c1cccnc1)N1CCc2nc(C3CCN(C(=O)[C@@H]4CC=CCC4)CC3)[nH]c(=O)c2C1 72398921 OZJJOWFCJXOAAX-GOSISDBHSA-N 447.539 2.426 0 40 IEAB Cc1nc(CN2[C@@]3(CCN(C(=O)N4CCOCC4)C3)c3ccccc3S2(=O)=O)cs1 96143189 YEPPOEZENLWMLM-HXUWFJFHSA-N 448.570 2.009 0 40 IEAB O=C(C1CC1)N1CCc2nc3cc([C@H]4CCCCN4C(=O)c4ccccn4)nn3c(O)c2C1 100234813 YEYCZIWKPIONBS-HXUWFJFHSA-N 446.511 2.492 0 40 IEAB COc1ccc(OC)c([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)c1 106213704 BDPLDTAWXWEASQ-RLFYNMQTSA-N 425.363 2.203 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)CC1 220080784 KAZQTSXHVZKEJO-UHFFFAOYSA-N 439.484 2.088 0 40 IEAB COc1ccc(C(=O)NCc2c(OC)cccc2OC)cc1S(=O)(=O)N1CCCC1 222904063 YPJGJFZOMUGZIH-UHFFFAOYSA-N 434.514 2.427 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 223224420 PCVUTQCGRYGRRO-UHFFFAOYSA-N 436.486 2.140 0 40 IEAB Cc1ccc(CN(CC(=O)NCCCN2CCc3ccccc3C2)S(C)(=O)=O)cc1 224176835 UCJCUDQDJVCPRM-UHFFFAOYSA-N 429.586 2.321 0 40 IEAB Cc1ccc(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 224494655 CMAXBZOVTVKHMF-UHFFFAOYSA-N 432.542 2.062 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1 225480203 VYUBRRKUQNVCQX-UHFFFAOYSA-N 449.529 2.103 0 40 IEAB CN(C[C@@]1(O)CCN(c2cccc3nccn23)C1)C(=O)c1cccc(Cn2ccnc2)c1 257250267 JLVCEVQXHVLVTA-DEOSSOPVSA-N 430.512 2.293 0 40 IEAB Cc1ocnc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCN(C)CC2)CC1 257331305 XSHDANGQQFZHNN-HFMPRLQTSA-N 426.561 2.202 0 40 IEAB Cn1cc(CN2CC[C@]3(C2)CN(Cc2ccccn2)S(=O)(=O)c2ccccc2O3)cn1 306141458 VWUVLQMUQPIKEM-QFIPXVFZSA-N 439.541 2.043 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc(F)c1 408605451 IWUFKMGPPXXPMF-KRWDZBQOSA-N 449.504 2.139 0 40 IEAB COc1ccccc1N1CCN(C(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)CC1 409115845 LDQLXXJYCWLYJQ-UHFFFAOYSA-N 431.558 2.248 0 40 IEAB O=C(CN1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)NCc1ccccc1Cl 585148535 WGSUZOSVXKBTHZ-UHFFFAOYSA-N 446.857 2.247 0 40 IEAB COc1ccccc1CC(=O)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1775972431 GDKFVNUTABQINR-UHFFFAOYSA-N 434.422 2.433 0 40 IEAB COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)cc1 932332 HCEIKQNNENBFMP-UHFFFAOYSA-N 429.458 2.197 0 40 IEAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(NC(C)=O)ccc3OC)n2N)c1 2245596 BAADIFRAUMWRKI-UHFFFAOYSA-N 442.501 2.365 0 40 IEAB O=S(=O)(O)CCCSc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)O 2895869 WMWBBWXKVNVBAW-UHFFFAOYSA-O 447.001 2.490 0 40 IEAB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)NC(=O)[C@H]1COc2ccccc2O1 3298447 OBKIDCSWQIRQCT-MRXNPFEDSA-N 441.421 2.040 0 40 IEAB CCOCCn1c(=O)c2c(nc3n2C[C@@H](C)CN3c2cc(C)ccc2OC)n(C)c1=O 5252087 LVXDLUACUFNARG-HNNXBMFYSA-N 427.505 2.038 0 40 IEAB Cc1ccc(-n2nnnc2SCC(=O)c2ccc(CC(=O)N3CCOCC3)s2)cc1 9593009 ZFKXSOCKMICUDU-UHFFFAOYSA-N 443.554 2.409 0 40 IEAB Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(F)c(F)c1F 10229504 PELBBXULRMKVGP-UHFFFAOYSA-N 425.392 2.486 0 40 IEAB O=C(COc1ccccc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 11665845 LTSXASKQLXCTLJ-UHFFFAOYSA-N 433.447 2.077 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccc(OC)cc2)c2c(C(N)=O)nc(-c3cccs3)nc21 12236893 WNXRPYXIUQRDPX-UHFFFAOYSA-N 437.481 2.332 0 40 IEAB Cc1cc(NC(=O)CNc2ccc(Br)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 12527282 CULNBBHYCBCRTI-CQSZACIVSA-N 427.324 2.364 0 40 IEAB O=C(c1cccc(Br)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617377 YHPOUCIELIJWJV-UHFFFAOYSA-N 433.331 2.477 0 40 IEAB CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)c1ccc(C)cc1 13006559 RGLJCCDFRNDKRP-QFIPXVFZSA-N 440.519 2.484 0 40 IEAB Cc1ccccc1-n1nnnc1SCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13253750 XJBJWDRTZCJFJH-KRWDZBQOSA-N 436.497 2.356 0 40 IEAB CCOc1ccccc1CCCNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 13673332 LVBUNLPRBDILER-UHFFFAOYSA-N 448.541 2.372 0 40 IEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1 13944424 CZDDFEYPQFJHKU-ZDUSSCGKSA-N 447.476 2.293 0 40 IEAB COC(=O)c1ccc2c(=O)n(CCN3CCN(c4ccccc4F)CC3)c(S)nc2c1 16840501 AEFCGCLNGSDWFD-UHFFFAOYSA-N 442.516 2.433 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CCn3nccc3C)[nH]c2=O)C1 19501646 HURPIILRZHBXDY-IBGZPJMESA-N 440.548 2.104 0 40 IEAB COCC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)c4cccc(F)c4)CC3)c2c1 19593038 BBMLDMIIIWGKBT-UHFFFAOYSA-N 440.475 2.428 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(F)cc3)C1)C2=O 19699706 ZDDHUJDWCLREPW-FQEVSTJZSA-N 444.551 2.402 0 40 IEAB Cc1nc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)ncc1C(=O)Nc1ccccc1 19764263 SMGWGIVCQYOTPY-UHFFFAOYSA-N 440.529 2.339 0 40 IEAB C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)N[C@@H]1CCS(=O)(=O)C1 22019989 FYRWJNVGAGBKMV-GHMZBOCLSA-N 432.618 2.038 0 40 IEAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)NCc1ccc(Cl)cc1 22228262 PACTXODZRUEKGV-UHFFFAOYSA-N 449.960 2.100 0 40 IEAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 23134643 UIQABYPUYANBHU-UHFFFAOYSA-N 426.908 2.347 0 40 IEAB CCOC(=O)C1=C(COC(=O)CCn2nc(C)cc2C)NC(=O)N[C@@H]1c1ccc(C)o1 24928654 BCYFZLFQKJGCAN-LJQANCHMSA-N 430.461 2.206 0 40 IEAB CON(C)S(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 25262719 KJSPOMTYWRXQTC-GOSISDBHSA-N 433.486 2.238 0 40 IEAB C[C@@H]1CN(CCCNC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 26333328 BUQZFYRCHPHTNZ-HUUCEWRRSA-N 445.391 2.479 0 40 IEAB O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Nc1ccc2c(c1)OCCO2 32092930 FTXINPMDKISARV-CQSZACIVSA-N 427.432 2.095 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)N3CCc4ccccc4C3)CC2)c1 34858810 WJRQYBWYVYEPAM-UHFFFAOYSA-N 427.570 2.195 0 40 IEAB O=C(CC[C@H]1N=C(O)N(Cc2ccc3c(c2)OCO3)C1=O)Nc1ccc2c(c1)OCO2 36597257 WSNDTLLQWUQFMU-CQSZACIVSA-N 425.397 2.188 0 40 IEAB Cc1cccc(C)c1NC(=O)CN1CCN(Cn2cnc3c(NC(C)C)ncnc32)CC1 58341263 FJNGLOOGCJZZFI-UHFFFAOYSA-N 436.564 2.477 0 40 IEAB CC(C)N1C[C@@H](C(=O)Nc2ccc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)nc2)CC1=O 62001859 NUZLRYPBJIZZFN-SQNIBIBYSA-N 435.528 2.062 0 40 IEAB biogenic CCOC(=O)C1=C(CN2CCN(C(=O)OCC)CC2)NC(=O)N[C@H]1c1ccc(CC)cc1 67286584 RUUDHMBUBDRTHV-FQEVSTJZSA-N 444.532 2.194 0 40 IEAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(N2CCCCC2=O)c1 90612710 LBRVMNJSKRKJDO-SFHVURJKSA-N 439.468 2.111 0 40 IEAB O=C(CCc1ccccc1)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 97151649 QABDZXHVZWORBI-JOCHJYFZSA-N 445.523 2.467 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222467588 JHWVLPPZUBDGAW-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB COc1ccc(Cl)cc1NC(=O)N1CCN(c2cnnc(N3CCOCC3)c2)CC1 224330929 JSFFONJZUUEVGD-UHFFFAOYSA-N 432.912 2.329 0 40 IEAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc21 225679356 KGHUXOGXKVQEMM-CYBMUJFWSA-N 447.538 2.310 0 40 IEAB Cc1csc(Nc2cccc(C3CCN(CC(=O)N4CCC(C(N)=O)CC4)CC3)n2)n1 257200357 ACYLSNBBKHVLOQ-UHFFFAOYSA-N 442.589 2.493 0 40 IEAB CN1C(=O)N[C@@H](c2cccc(CNC(=O)CCCNc3ncccn3)c2)[C@@H]2CCCO[C@@H]21 257265538 LZBDPAYYDALAMU-JBACZVJFSA-N 438.532 2.434 0 40 IEAB CCOc1cc(/C=C2\NC(=S)N(CC(=O)OC)C2=O)c(Br)cc1OC 409214997 ZAWSPPYIUSYOJS-WZUFQYTHSA-N 429.292 2.087 0 40 IEAB O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)NC[C@H]1COc2ccccc2O1 527507696 KLVLAHDAJXTVJS-IBGZPJMESA-N 445.541 2.251 0 40 IEAB COc1cc(OC)cc(C2(F)CCN(C(=O)[C@](C)(O)Cn3ccc(C)cc3=O)CC2)c1 549534455 YBZWMTPDSOUSME-JOCHJYFZSA-N 432.492 2.412 0 40 IEAB CC[C@H](C)CN1C[C@H]2C(=O)NC3(CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)[C@H]2C1 585106078 JINFJYXAKGFHCI-DQLDELGASA-N 429.561 2.403 0 40 IEAB CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)OC[C@H](O)CO)C(=O)C[C@H]1O 622788423 RJXVYMMSQBYEHN-ZTVOXXPPSA-N 426.550 2.063 0 40 IEAB CN1CCC(NC(=O)c2ccc3c(c2)Cc2cccc(c2)C(=O)NCCOCCO3)CC1 643575686 MDAHGPLCXDPFRP-UHFFFAOYSA-N 437.540 2.240 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)OC(=O)N(C(C)(C)C)C4=O)CC2=O)cc1 1888930472 PRYJWBVEDPFNGQ-HNNXBMFYSA-N 443.500 2.187 0 40 IEAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@@H]1CCCO1)C(=S)NC[C@H]1CCCO1)OCO3 890813 JYLLOBYDXRFVQN-SJORKVTESA-N 445.541 2.291 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 2737358 FTEFCZKEZJGLQJ-UHFFFAOYSA-N 434.499 2.395 0 40 IEAB C[C@H](OC(=O)c1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 4001745 UWRANEOUFWFWAI-HNNXBMFYSA-N 447.513 2.079 0 40 IEAB CNC(=O)c1ccc(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 8756974 NCEADHRMOVJDFN-UHFFFAOYSA-N 442.475 2.480 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(F)cc23)cc1 8971801 CBPOOYULSIEABU-CRJFVVSASA-N 441.459 2.147 0 40 IEAB O=C([C@@H]1CN(C(=O)Cn2c(=O)cnc3ccccc32)c2ccccc2O1)N1CCCCC1 9664545 ZGZBXFDZNZBHEA-NRFANRHFSA-N 432.480 2.203 0 40 IEAB O=S(=O)(c1cccs1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 9708519 NPIJPRFBCFGIDP-UHFFFAOYSA-N 434.586 2.012 0 40 IEAB NC(=O)[C@H]1CN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2O1 9741807 KIKOJHPIPVZMFL-OAQYLSRUSA-N 440.459 2.338 0 40 IEAB CCOc1ccc(C(C)=O)cc1COC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21 9988129 JGBNDZBFLADNSK-ZDUSSCGKSA-N 430.482 2.458 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4cccc(Cl)c4)c(=O)n(C)c3nc2n1CCN(C)C 10233662 DNTVZIYNBUXDSA-UHFFFAOYSA-N 428.924 2.030 0 40 IEAB CCOC(=O)c1csc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 10337429 DVPYDEJDERRDPF-UHFFFAOYSA-N 441.506 2.498 0 40 IEAB CS(=O)(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 10337481 UVSFXYOVHXQCGG-UHFFFAOYSA-N 440.518 2.269 0 40 IEAB Cc1ccc(-c2cc(NS(=O)(=O)c3c(C)n[nH]c3C)n([C@H]3CCS(=O)(=O)C3)n2)cc1 11795945 SAFDZMLHIHHXHB-INIZCTEOSA-N 449.558 2.359 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1 12115955 YSFFHCWQIMRZLS-WIRVCHQWSA-N 433.512 2.209 0 40 IEAB O=C(CSc1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 12520590 JIKYGCXGJQIKQV-UHFFFAOYSA-N 434.518 2.327 0 40 IEAB Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cs1 12555551 VIRJLAWWSMIPTN-UHFFFAOYSA-N 435.509 2.318 0 40 IEAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)[C@@H]4CCCO4)C3)n2)CC1 19085275 NRXVYWWWDLLPKQ-MJGOQNOKSA-N 430.549 2.429 0 40 IEAB COc1ccccc1CN1CCN(S(=O)(=O)c2cnc(-c3cccnc3)nc2C)CC1 19552887 AUUXVYOLPYEEBP-UHFFFAOYSA-N 439.541 2.362 0 40 IEAB COc1cccc(OC)c1OCC(=O)N1CCC[C@@H]1c1ncc(C(=O)N(C)C)c(C)n1 19756065 CNWOUWOWAFQUMU-MRXNPFEDSA-N 428.489 2.247 0 40 IEAB Nc1nc(C2CCN(C(=O)CC[C@H]3CCC(=O)N3)CC2)ccc1C(=O)NCc1ccccc1 19765871 AEMCCBCNAASCNO-LJQANCHMSA-N 449.555 2.359 0 40 IEAB O=C1C[C@@H](C(=O)NCc2ccccc2)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 19821486 FLMKFMCKXQQZMF-GOSISDBHSA-N 429.480 2.075 0 40 IEAB COCCN(CCOC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)CC[C@H](NC(C)=O)[C@@H](C)[C@@H]2[C@H]1O 20466054 BSTGTQFYSYMEHS-LWEDODNHSA-N 426.598 2.072 0 40 IEAB biogenic,in-vitro CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](C(C)C)N1CCOCC1 25327394 VSOUMLGYNSKOCO-OALUTQOASA-N 446.013 2.116 0 40 IEAB O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CCN(c2cnccn2)CC1 25343721 AJYJNHZZDHBUBK-UHFFFAOYSA-N 441.488 2.379 0 40 IEAB Cc1ccc(S(=O)(=O)NCCNC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 26181715 KDDNHRISDALLIN-UHFFFAOYSA-N 432.477 2.211 0 40 IEAB O=C(c1ccc(C(F)(F)F)nc1O)N1CCC(NS(=O)(=O)c2cccs2)CC1 32881986 JGWQLUKFCPSHNX-UHFFFAOYSA-N 435.449 2.451 0 40 IEAB COc1ccccc1-c1ccc(=O)n(CC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1 40284870 BQDBXZUUCHMVHM-UHFFFAOYSA-N 439.493 2.124 0 40 IEAB CCOc1ccc(NC(=O)Cn2cnc3nc(N4CCSCC4)sc3c2=O)cc1 45970635 YOEGKRATOKBNJB-UHFFFAOYSA-N 431.543 2.444 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)NC2(C(=O)OC)CCCC2)c(Br)c1 58023297 SZWUXRMROCGELD-UHFFFAOYSA-N 434.308 2.390 0 40 IEAB CCOC(=O)CN1CCCN(S(=O)(=O)c2cc(Br)ccc2OCC)CC1 58140707 ZDBHASZNSLCLPP-UHFFFAOYSA-N 449.367 2.107 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c2ccccc12 58162013 YIRMDECKIPDCMO-IBGZPJMESA-N 431.558 2.341 0 40 IEAB CNC(=O)c1cccc(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)c1 83882335 IDZGLQDXYPXEQW-HNNXBMFYSA-N 430.302 2.478 0 40 IEAB O=C(CCc1nnc(=S)[nH]c1O)NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 96911760 OHNWAURJMFYDFW-UKTHLTGXSA-N 449.489 2.164 0 40 IEAB O=c1c(CN2CCSCC2)coc(O)c1CN1CCN(CCOc2ccccc2)CC1 101410800 CPAPVQLHBBFBEJ-UHFFFAOYSA-N 445.585 2.091 0 40 IEAB O=C(COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ncc(Cl)cc1Cl 102128888 PSFRJMDWHKLIGA-RYUDHWBXSA-N 426.256 2.211 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 206847564 XEGXHJCILHFTMS-ZDUSSCGKSA-N 435.483 2.372 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222376279 DBIIATHYDLMRGV-INIZCTEOSA-N 435.521 2.063 0 40 IEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCC(C)CC1 222785280 NFINTGDAUMIQAJ-FQEVSTJZSA-N 425.595 2.478 0 40 IEAB COc1cccc([C@]2(O)CC[C@@H]3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)C[C@H]32)c1 248017850 GRCFXNHQAJBXPL-VVFCZOMOSA-N 425.938 2.309 0 40 IEAB CNC(=O)c1ccc(-c2cccc([C@H]3CN(C(=O)c4ccnc(NC)c4)CCO3)n2)cn1 257253884 KAQUBIKWEPJJPV-HXUWFJFHSA-N 432.484 2.154 0 40 IEAB CCS(=O)(=O)N(CC(=O)N[C@H](C)c1ccccc1OC)c1ccc2c(c1)OCCO2 260846750 YRENKTWODDDICF-OAHLLOKOSA-N 434.514 2.500 0 40 IEAB O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 260903521 PFWDMWWXZHAONJ-RDJZCZTQSA-N 434.489 2.183 0 40 IEAB O=C(CC1CC1)N1CCC2(CC1)Cc1nc3c(c(=O)n1C2)CN(Cc1cccnc1)CC3 306129724 ILADEAPXKLXDIT-UHFFFAOYSA-N 433.556 2.162 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)cc1C 408591518 JJZKBFZQLMIQNR-KRWDZBQOSA-N 447.557 2.028 0 40 IEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 408601015 DMFLPFKYTZCHLW-OAHLLOKOSA-N 437.949 2.364 0 40 IEAB Cc1ccc(C)c(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccccc2)c1 408613999 ZNSVJIWVUOTDSW-UHFFFAOYSA-N 445.585 2.337 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(O)nc4cc(F)ccc34)CC2)cc1 606757529 MAFHWMLXQOSBNE-UHFFFAOYSA-N 445.472 2.235 0 40 IEAB COCCN1C(=O)CC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n2nccc21 1772596555 SHVNKIJXPFGWBV-UHFFFAOYSA-N 438.937 2.100 0 40 IEAB Cc1cnc(CNC(=O)C[C@@H]2COC[C@H]3CN(C(=O)c4cccc(Cl)c4)C[C@@H]23)cn1 2055771723 SKTBEEXGPFNXRW-HLIPFELVSA-N 428.920 2.480 0 40 IEAB CCn1c(SCC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)nnc1-c1ccco1 3407382 WCXLTGYTPJHNRB-FQEVSTJZSA-N 440.485 2.149 0 40 IEAB O=C(NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1)N[C@@H]1CCC(=O)N1Cc1ccccc1 5760277 JFEHGYSSVPBCPA-UXHICEINSA-N 434.496 2.152 0 40 IEAB COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc(N)cc(=O)[nH]3)cc2)cc1 9716107 XAGQMZYYRSHQAL-UHFFFAOYSA-N 425.470 2.344 0 40 IEAB COc1ccc(CCNC(=O)c2cc(Br)ccc2-n2cnnn2)cc1OC 12390142 UZMCIAMUTUYXJM-UHFFFAOYSA-N 432.278 2.415 0 40 IEAB O=C(c1ccc(Br)o1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 12745618 PHHXRZLECSPTLB-UHFFFAOYSA-N 435.246 2.467 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 12752382 SSYZMZMIXXGVQR-UHFFFAOYSA-N 428.308 2.201 0 40 IEAB COC(=O)Cn1/c(=N\C(=O)Cc2ccc3c(c2)OCO3)sc2cc(C(=O)OC)ccc21 13969017 IAOIRLMMUJCFGW-QURGRASLSA-N 442.449 2.061 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 14233030 KWPSOMIBYTUBIE-XDHUDOTRSA-N 435.480 2.068 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccco1 17097232 YPKIXYMFDOHMKM-ROUUACIJSA-N 430.892 2.461 0 40 IEAB COc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)[C@@H]4CCC(=O)N4)C3)cc2)cc1 19558184 JPASCXPSCUTBSI-OFVILXPXSA-N 435.524 2.277 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3cccc(C)c3)C1)C2=O 19699931 AUVJTUFIAQRDGC-FQEVSTJZSA-N 426.561 2.325 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(C(=O)c4cnn(C)c4)C3)nc2C)c1 19763507 KENJKNAMIDQILI-GOSISDBHSA-N 448.527 2.477 0 40 IEAB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1cccc2ccccc12 19955274 ADTCHRMAEXRAFP-LPYMAVHISA-N 425.466 2.454 0 40 IEAB COc1cccc(CNC(=O)CN2CCC3(CC2)N=C(c2ccc(C)c(C)c2)C(=O)N3)c1 21089564 NNFIWSIDTRJDNH-UHFFFAOYSA-N 434.540 2.339 0 40 IEAB biogenic COc1ccccc1CNC(=O)Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1 23142184 AJJPSONEVBUDJW-UHFFFAOYSA-N 440.525 2.409 0 40 IEAB Cn1ccnc1SCC(=O)Nc1ccccc1C(=O)N1CCN(C[C@H]2CCCO2)CC1 23805334 SZSXNXNJSIMPKL-QGZVFWFLSA-N 443.573 2.088 0 40 IEAB CN(CC(=O)NC(C)(C)C)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 24075466 XMXBXXOATYXHNW-UHFFFAOYSA-N 438.322 2.198 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)NCCc1cccs1 24215586 PQSYFZHRLZAULV-QFIPXVFZSA-N 437.569 2.382 0 40 IEAB Cc1ccc2c(c1)C(=O)N(CCC(=O)OCC(=O)Nc1ccc3c(c1)OCCCO3)C2=O 25085160 YYURYJPIXKRGBZ-UHFFFAOYSA-N 438.436 2.324 0 40 IEAB COc1cccc(CN(C)C(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1OC 32847842 NJKDVZYZHLBSPX-UHFFFAOYSA-N 440.543 2.058 0 40 IEAB CNC(=O)CN1CCN(C(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)CC1 36386845 GVBOJDFVDHYVBQ-UHFFFAOYSA-N 429.521 2.097 0 40 IEAB COc1cc(C2=NN(C(C)=O)[C@@H](N[C@@H](Cc3ccccc3)C(=O)O)C2)cc(OC)c1OC 36665006 FBKMIDJMPUHEBL-GHTZIAJQSA-N 441.484 2.280 0 40 IEAB CC[C@@H](C)N(C(=O)CN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 57463334 UFGYTZPKBWXJIH-VQIMIIECSA-N 427.998 2.276 0 40 IEAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCC(c3nnsc3S(C)(=O)=O)CC1)CC2=O 72392498 QLSWUJKLFDNFJP-MOPGFXCFSA-N 425.576 2.433 0 40 IEAB CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C\c3cnc4ccccc4n3)c(=O)n12 105264305 RHYWQDWQPNZWEW-RMCDZPBISA-N 442.500 2.218 0 40 IEAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCCN1C(=O)Cc1cccs1 107340337 DSOXJCIWJOUHCM-PZJWPPBQSA-N 427.570 2.299 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220177815 OGJDLWSPCHGKIE-HOTGVXAUSA-N 436.530 2.442 0 40 IEAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCCCN2CCOCC2)c1 224163242 SWCYOJZAHHYROH-UHFFFAOYSA-N 435.521 2.103 0 40 IEAB CNC(=O)[C@]1(c2ccccn2)CCCN(C(=O)C(C)(C)NC(=O)c2ccccc2F)C1 257310840 UGVPICOTOOLXCY-HSZRJFAPSA-N 426.492 2.036 0 40 IEAB CCNC(=O)Cc1c(C)nc([C@@H]2CCN(C(=O)c3ccc(OC)cc3OC)C2)nc1C 257313623 UTKBLWZKLNHWJK-MRXNPFEDSA-N 426.517 2.419 0 40 IEAB Cc1nc(CN2C[C@@]3(CCN(C(=O)N(C)C)C3)Oc3ccccc3S2(=O)=O)cs1 306123667 ATLPQPODVNAREO-IBGZPJMESA-N 436.559 2.161 0 40 IEAB O=C(O)c1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1 409148361 YPWRJZUCVZDCMY-SFQUDFHCSA-N 441.465 2.071 0 40 IEAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cccc(CN2CCS(=O)(=O)CC2)c1 523399071 ZGOARQYIILZZEE-UHFFFAOYSA-N 427.526 2.062 0 40 IEAB O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1c(C(F)(F)F)nc2ccccc21 524733419 QAGXGXDCLMVURA-HNNXBMFYSA-N 445.401 2.312 0 40 IEAB CCN1CCN(C(=O)CNC(C)=O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O 1848353467 FRNIFZMJCQVWDP-HXUWFJFHSA-N 425.504 2.478 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21 1889168593 CGIKTFTTYMRVFL-HIFRSBDPSA-N 429.468 2.350 0 40 IEAB COc1cc(N2C[C@H](CNS(=O)(=O)c3ccc(F)cc3)OC2=O)cc(OC)c1OC 8838700 MWGOOQSRAWLMQE-AWEZNQCLSA-N 440.449 2.155 0 40 IEAB O=C(COc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1)Nc1ccccc1 9234151 CTBRIAAIRCIWAB-LAUBAEHRSA-N 437.496 2.352 0 40 IEAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21 9439063 GNCSDCJYDDXNEV-KSSFIOAISA-N 434.489 2.230 0 40 IEAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1 9638097 YIYNZQRDTSWJLP-UHFFFAOYSA-N 448.479 2.462 0 40 IEAB CC(=O)[C@H](C)N1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C 10363209 PGPFXUJNAOLCLR-CVEARBPZSA-N 436.516 2.296 0 40 IEAB Cn1c(=O)c2c(SCC(=O)Nc3ccc(F)cc3)nc(-c3ccco3)nc2n(C)c1=O 11758261 VLHFKZQPSLHAFI-UHFFFAOYSA-N 441.444 2.157 0 40 IEAB CC(=O)N1CCC[C@@](C[C@H]2CC(c3cccc(F)c3)=NO2)(C(=O)NCc2nccn2C)C1 12087521 QUFGGVQJMNQDIC-XXBNENTESA-N 441.507 2.387 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCN(C(=O)[C@H](C)c4nn(C)c(=O)c5ccccc45)C3)cc2n1 12134513 ZMMCWBWXOTXQRY-CVEARBPZSA-N 446.511 2.500 0 40 IEAB Cc1cc(O)n2nc([C@H]3CCCCN3C(=O)Cc3ccc(S(C)(=O)=O)cc3)cc2n1 12161074 FKLWQADXFPLAIX-GOSISDBHSA-N 428.514 2.443 0 40 IEAB CC(C)n1c(=O)n(CC(=O)N2CCCCC2)c2c(C(N)=O)nc(-c3ccc(F)cc3)nc21 12220577 LGAYDKLUMGJJFF-UHFFFAOYSA-N 440.479 2.091 0 40 IEAB CN(C)S(=O)(=O)N1CCN(c2ncc(-c3ccsc3)c(-c3nccs3)n2)CC1 12251607 JGLILJFKBYOGHU-UHFFFAOYSA-N 436.588 2.257 0 40 IEAB COc1cc(-c2cnc(N3CCC(C(N)=O)CC3)nc2-c2cccs2)nc(OC)n1 12327911 VMAISCMTJWMVJR-UHFFFAOYSA-N 426.502 2.381 0 40 IEAB CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1 12915082 JXRCQCSKKZFFNL-UHFFFAOYSA-N 446.525 2.393 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 13001520 SSRIOBANIGQBBK-RBUKOAKNSA-N 440.521 2.305 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)N[C@H]1CCCc2ccccc21 13138275 QYUWASKSOSOEEH-FQEVSTJZSA-N 431.533 2.326 0 40 IEAB C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C 15224719 KCRHOUMKGUYUND-HNNXBMFYSA-N 433.468 2.212 0 40 IEAB C[C@H](NC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)c1cccs1 19459663 RGTCSEANIHUMHU-DGCWBMGLSA-N 427.530 2.273 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(C[C@H](O)COCc2ccc(Cl)cc2)C1=O 21559564 KZELVNSFMGVEJY-JTSKRJEESA-N 446.887 2.456 0 40 IEAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 22928709 OCEQLKTXWBAPGM-XMMPIXPASA-N 436.556 2.151 0 40 IEAB COc1cccc(NC(=O)CSc2nc(CC(=O)NCc3ccccc3)cc(=O)[nH]2)c1 23145285 RJFYWHRHDIUHGL-UHFFFAOYSA-N 438.509 2.368 0 40 IEAB Cc1ccc(C)c(-n2cnnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 23818919 GFNAJJGLPRFVOI-UHFFFAOYSA-N 428.518 2.262 0 40 IEAB O=C(Cc1csc(-c2ccco2)n1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 25508066 UPWLRUCMCUWUOR-UHFFFAOYSA-N 441.538 2.359 0 40 IEAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 35313244 XHVCDDNFVURJPI-CSNWYRLESA-N 429.561 2.053 0 40 IEAB C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)c1cc(Br)ccc1Br 40135532 XRVKYIOAJDEZSD-BDAKNGLRSA-N 440.157 2.486 0 40 IEAB O=C(CCSc1ccc(Br)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 64734332 PBCGCEJLXSHDPE-OAHLLOKOSA-N 447.420 2.263 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccc(F)cc3)C2)CC1 77200353 FIHWQAHGQBFUSN-QZTJIDSGSA-N 441.525 2.473 0 40 IEAB COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cccc(-n3[nH]c(=O)ccc3=O)c2)C1 89457716 KHVVVHHHLYJNPZ-INIZCTEOSA-N 440.887 2.197 0 40 IEAB CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC[C@H]2CC(=O)c2ccccc2)cc1 95965474 HCWHSPAPBDRNCZ-SFHVURJKSA-N 425.514 2.303 0 40 IEAB CCCCc1ccc(-n2c(C)cn3c4c(=O)n(CCC(=O)OC)c(=O)n(C)c4nc23)cc1 96306391 DCQAZCXFPGPUJL-UHFFFAOYSA-N 437.500 2.353 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)CCCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)cc1 102785314 BUBZZKQOTABBEY-ROUUACIJSA-N 438.484 2.435 0 40 IEAB Cc1c(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 113940870 WTSRTZRYJMMLRR-HNNXBMFYSA-N 446.504 2.417 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222937219 HFBHDMWQEFIHNY-SFHVURJKSA-N 435.521 2.145 0 40 IEAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 223831819 ZXMAPSCABMHPDN-UHFFFAOYSA-N 426.878 2.304 0 40 IEAB COc1cccc([C@]2(O)CCC[C@H]3CN(C(=O)c4cnc(N5CCOCC5)nc4)C[C@H]32)c1 248187603 IZKDBIFUIBSLHB-XVWGUNQUSA-N 438.528 2.082 0 40 IEAB C[C@H](NC(=O)CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)[C@H]1C[C@H]2CC[C@H]1C2 248376795 DQNNAAADSOMJLZ-MSHMPBTLSA-N 425.529 2.459 0 40 IEAB CC(=O)N[C@@]12CN(C)CC[C@@H]1[C@@H](c1ccccc1)N(C(=O)c1ccc(-n3cccn3)nc1)C2 257200895 AFHBHDRGMCRUGL-GZGNHOFSSA-N 444.539 2.291 0 40 IEAB COc1ncccc1C(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1 257246909 IWLNKWRURLWDJL-TZBSWOFLSA-N 439.556 2.394 0 40 IEAB CC(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2cccc([C@@]3(C)NC(=O)NC3=O)c2)no1 685286429 GOKVPPYCPRMMLI-FDDCHVKYSA-N 431.452 2.437 0 40 IEAB C[C@H]1CCCCN1C(=O)CN1CCO[C@@]2(CC=CCc3ccccc3OCCNC2=O)C1 2037884877 DHXNWRDTFSMRBZ-CPJSRVTESA-N 441.572 2.156 0 40 IEAB CCCS(=O)(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)c3ccc(F)cc3)C1)C2 8263755 XPEAZDWJLOWYGO-GOEBONIOSA-N 433.505 2.399 0 40 IEAB biogenic,in-vitro Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 8595025 JEFXRELMJVIVQL-UHFFFAOYSA-N 432.546 2.041 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CNc2ccc(C(=O)N(C)C)cc2)cc1 8710724 IYVLBQOTQWEDHQ-UHFFFAOYSA-N 432.546 2.470 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c(OC)c1 8870674 CDJMFPAPGHGQCX-UHFFFAOYSA-N 442.515 2.225 0 40 IEAB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2onc3c2CCCC3)cc1 8976626 RGNYIZLSHAVHFV-UHFFFAOYSA-N 437.518 2.089 0 40 IEAB O=C(Nc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9306597 MSRUNCQCIZKRDU-MRXNPFEDSA-N 428.514 2.248 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)ccc21 9583909 PNRYYGQMAIMFPZ-UHFFFAOYSA-N 449.554 2.046 0 40 IEAB COc1ccccc1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 9838071 WOAHSOIEPPPUII-HNNXBMFYSA-N 446.554 2.417 0 40 IEAB COc1cccc(CNC(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1 9986034 BKMKLDQLCYPVBU-UHFFFAOYSA-N 440.905 2.072 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)C1=O 11859486 NRIMVOUPKXNNRF-OAHLLOKOSA-N 431.489 2.101 0 40 IEAB COc1ccc(CCNC(=O)Cn2nc(C)c3cnn(-c4ccccc4)c3c2=O)cc1OC 12228006 IFUPEMGVHUPHQC-UHFFFAOYSA-N 447.495 2.267 0 40 IEAB Cc1cc(NC(=O)CNc2ccc(Br)cc2)n([C@H]2CCS(=O)(=O)C2)n1 12527283 CULNBBHYCBCRTI-AWEZNQCLSA-N 427.324 2.364 0 40 IEAB CCN1CCC[C@@H]1CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12605704 ISYRBFPDMRNMOC-GOSISDBHSA-N 445.541 2.473 0 40 IEAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N[C@]2(CCCc3sccc32)C1=O 12697880 JNAFRYPBGFZIGY-GTJPDFRWSA-N 427.482 2.265 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(C)CC(=O)Nc2cccc(F)c2)C1=O 12904995 QMHXZLUCQZKBOR-JOCHJYFZSA-N 426.448 2.080 0 40 IEAB O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCO 13895864 KFKOJLIXQAPTNX-UHFFFAOYSA-N 435.304 2.432 0 40 IEAB COc1ccc(CN(C)CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c(OC)c1OC 14920196 IZFCERJGKAWHOY-UHFFFAOYSA-N 431.445 2.221 0 40 IEAB COc1ccc(CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 15985640 DKUKAMGCTUJISY-UHFFFAOYSA-N 432.542 2.307 0 40 IEAB COc1ccc2c(COC(=O)c3ccc(CCNS(C)(=O)=O)cc3)cc(=O)oc2c1 17260203 JMOMAZYCAUFXIL-UHFFFAOYSA-N 431.466 2.250 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(S[C@@H](C(=O)NC3CC3)c3ccccc3)nc2)CC1 17934793 OCAXBYYUXVOGOR-HXUWFJFHSA-N 446.598 2.130 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)no1 18245062 OFSHTTMKBRZGPG-BBWFWOEESA-N 425.441 2.034 0 40 IEAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1[C@@H]1CCCN(Cc2ncc[nH]2)C1 19699646 HHCYRDDPUWHSRI-HXUWFJFHSA-N 436.560 2.003 0 40 IEAB Nc1nc(C2CCN(C(=O)CC[C@H]3CCC(=O)N3)CC2)ccc1C(=O)NC1CCCC1 19765869 QRVSXWHPXZCYBR-QGZVFWFLSA-N 427.549 2.101 0 40 IEAB CCN1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2)CC1 19819958 NZMCNCMQBXMGSK-HXUWFJFHSA-N 431.558 2.115 0 40 IEAB COc1ccc(N2C(=O)C[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)c(OC)c1 22609406 LLWFGWLLONZBSQ-SFHVURJKSA-N 426.469 2.411 0 40 IEAB biogenic COc1ccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1S(=O)(=O)N(C)C 23149450 ULGNZDRTZAQBFY-UHFFFAOYSA-N 431.514 2.320 0 40 IEAB O=C(c1ccc(Cn2cncn2)cc1)N1CCN(Cc2nc(-c3cccs3)no2)CC1 25082444 BPGXLIKDOHLXHX-UHFFFAOYSA-N 435.513 2.396 0 40 IEAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@@H]([C@H](C)C(=O)N3CCC[C@@H]3COC)[C@H](O)[C@H]2[C@@H]1C 30883760 HFGCQFMPWRGLET-FQBBIUMXSA-N 438.609 2.214 0 40 IEAB biogenic,in-vitro Cc1cc(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n2ncnc2c1 32853430 UKDHEVRSNKRLSM-UHFFFAOYSA-N 436.335 2.311 0 40 IEAB CC(=O)N[C@@H](CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)c1ccc(Cl)cc1 32879984 NRAHJVGFFMVFLI-LAUBAEHRSA-N 428.876 2.406 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)N1CCC[C@H]1c1cccs1 35268097 FRIPIMFUFGLUFK-HNNXBMFYSA-N 425.601 2.480 0 40 IEAB O=C(NCc1cccnc1N1CCOCC1)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 48290474 TVLWRYOIMDOVNG-FQEVSTJZSA-N 440.519 2.155 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 55408607 MXDLMEJOTDKJOE-VQTJNVASSA-N 434.945 2.406 0 40 IEAB COCCc1ccc(OC[C@H](O)COC[C@@H](O)COc2ccc(CCOC)cc2)cc1 67665195 HHZVYUDYADUPTD-FGZHOGPDSA-N 434.529 2.261 0 40 IEAB in-vitro Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCC[C@H]1Cc1cccc(F)c1 71805067 YPSUDFUWHKAKST-IBGZPJMESA-N 428.508 2.220 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N3CCO[C@H](c4ccccc4)C3)C2=O)cc1 96231482 ZRDQMZGOQRKYOM-SFTDATJTSA-N 437.496 2.148 0 40 IEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 102275321 NMKWLIYMUOJKJV-OKILXGFUSA-N 425.466 2.128 0 40 IEAB COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(C5CCCC5)C(=O)[C@H]24)O3)cc(OC)c1OC 103460870 SYLGTYVHEITMHD-YBBCZWHLSA-N 428.485 2.376 0 40 IEAB Cn1nc(C2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)n(C2CC2)c1=O 207957524 FXOWNZDYNYIFBZ-UHFFFAOYSA-N 447.380 2.309 0 40 IEAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225694965 SNCKJNGPMUBBCX-SESVDKBCSA-N 439.556 2.312 0 40 IEAB Cc1nc(N2CCC(NC(=O)c3cccc(-n4cnnn4)c3)CC2)cc(C(F)(F)F)n1 225724901 MBFLDANQOBGAAS-UHFFFAOYSA-N 432.410 2.178 0 40 IEAB O=C(NCCn1nc([C@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)c2cccnc21)C1CC1 257279879 OINLPJJUKPDJJW-ROUUACIJSA-N 425.533 2.233 0 40 IEAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(C(=O)Cc1ccc3c(c1)CCCO3)CC2 257331140 XROFRBZAANMJCR-IBGZPJMESA-N 449.555 2.307 0 40 IEAB Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 408654586 KJZSVXGEUMYQCH-CQSZACIVSA-N 429.860 2.324 0 40 IEAB CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1cc(Br)ccc1O 409412531 SWTYJHYNFBZRAP-UHFFFAOYSA-N 440.367 2.299 0 40 IEAB COc1ccc(CN(C)C[C@@]2(O)CCN(Cc3ccc(OCCO)c(OC)c3)C2)cc1 585269631 DPGDEQJMBMSFFG-DEOSSOPVSA-N 430.545 2.144 0 40 IEAB CCCN(C(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 3431038 LSURAJUWVMPMTD-ZPHJMFTNSA-N 442.603 2.156 0 40 IEAB CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3581368 FKHSJJVEZGUWBF-UHFFFAOYSA-N 438.527 2.449 0 40 IEAB CCc1ccccc1NC(=O)COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 6162666 ZRLOPDBZTNTKHL-UHFFFAOYSA-N 430.457 2.187 0 40 IEAB O=C(Cc1cn2ccsc2n1)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 8862252 YOZQFJOVAVRSSW-UHFFFAOYSA-N 431.477 2.465 0 40 IEAB CN(C)c1ccc(NC(=O)CSc2nnc([C@H]3COc4ccccc4O3)n2N)cc1 9130965 YBBXJCQKQUMNSN-QGZVFWFLSA-N 426.502 2.301 0 40 IEAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)NC(=O)NCCC2=CCCCC2)C1=O 9222626 MUCNFXVQCCIUJV-NRFANRHFSA-N 434.443 2.448 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(F)cc3)CC2)c(C)c1 9254783 PVOQYNHOGCZLCH-UHFFFAOYSA-N 434.489 2.132 0 40 IEAB CCN(C(=O)c1ccc(Br)o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9467411 KXZJSBKOLITOLL-UHFFFAOYSA-N 433.262 2.189 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCN2C(=O)NC(C)(C)C2=O)c1 9818140 VEMTUJKQCWBIQT-UHFFFAOYSA-N 444.513 2.171 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NCCNc2ccc(Nc3cc(C)ccn3)nn2)c1 11696832 PLMQXBSXIROHCI-UHFFFAOYSA-N 444.517 2.331 0 40 IEAB CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)CC1 12508082 XHTAEEBMOCQFMS-UHFFFAOYSA-N 431.514 2.036 0 40 IEAB C[C@@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)NC[C@@H]1CCCO1 12554114 AKQVKENAUNRLCD-PBHICJAKSA-N 435.525 2.019 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc4c(c3)OCCO4)CC2)c(C)c1 12811620 INLMZWZJMRPMNB-UHFFFAOYSA-N 445.541 2.291 0 40 IEAB COc1cc2c(c3oc(=O)c(CC(=O)N(C[C@@H](C)O)C[C@@H](C)O)c(C)c13)CCC(C)(C)O2 12902206 NKUWWUHVBUDHQL-ZIAGYGMSSA-N 447.528 2.346 0 40 IEAB biogenic C[C@@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13566750 BVCBTBTXBDGQLB-LBPRGKRZSA-N 436.921 2.324 0 40 IEAB CN1C(=O)CN(c2ccc(S(=O)(=O)N3CCCC3)cc2OCc2ccccc2)C1=O 13727297 JAKYKNYLMMNCLC-UHFFFAOYSA-N 429.498 2.449 0 40 IEAB COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccccc1F 13734621 FQGBCHWXTXFUNF-UHFFFAOYSA-N 442.490 2.338 0 40 IEAB CC(=O)N1CCC[C@H]1c1nc(CN(C)CCS(=O)(=O)c2ccccc2)cc(N(C)C)n1 19760199 LHPQBNMEIANMMB-FQEVSTJZSA-N 445.589 2.132 0 40 IEAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1 20045335 OLRFAIODLMAIDC-UHFFFAOYSA-N 427.530 2.353 0 40 IEAB CC(=O)c1cccc(N(CC(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)c1 22517405 ZWKPVEQDEZKWDJ-UHFFFAOYSA-N 426.498 2.157 0 40 IEAB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)CN3CCOCC3)[C@@H](c3ccccc3)C2)c1 23175916 JNPJCUBCQVXEII-OAQYLSRUSA-N 442.541 2.068 0 40 IEAB CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 24612613 QENGGVITNYYCBP-UHFFFAOYSA-N 440.537 2.169 0 40 IEAB CN1C(=O)/C(=C2/SC(=O)N(CN3CCOCC3)C2=O)c2cc(Br)ccc21 31772116 NGRJQWUJGSOENH-BUHFOSPRSA-N 438.303 2.122 0 40 IEAB Cc1ccc2nc(NC(=O)C[C@H]3C(=O)NCCN3S(=O)(=O)c3ccccc3)sc2c1 32096072 MYWTVDDWMJPTAC-INIZCTEOSA-N 444.538 2.123 0 40 IEAB COC[C@H](C)N(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 32915703 WGBJVBNIERAGEM-QWHCGFSZSA-N 448.438 2.491 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1 34863164 POQGNKXGPGGMAK-SFHVURJKSA-N 443.569 2.243 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1)NC[C@H]1CCCO1 35399949 HJAGAEVBPVVARV-OAQYLSRUSA-N 449.617 2.336 0 40 IEAB Cc1c(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cnn1-c1ccccc1 40017203 RNAWWAPGCTWSRQ-QFIPXVFZSA-N 432.480 2.305 0 40 IEAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[nH]c(=O)c21 40388884 XXOQFPUNYORVND-UONOGXRCSA-N 425.489 2.469 0 40 IEAB O=C(NCC1CCN(S(=O)(=O)c2cccnc2)CC1)C1(c2ccccc2)CCOCC1 70933531 KURDMDPEUGEJLN-UHFFFAOYSA-N 443.569 2.347 0 40 IEAB CNc1cc([C@@H]2CCCN(C(=O)COc3ccc(F)cc3)C2)nc(CN(C)C(C)=O)n1 72370143 RWDLRMVLBQHLST-MRXNPFEDSA-N 429.496 2.421 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NC1CCN(Cc2ccccc2)CC1 72403364 KDORLGPCOOENIO-HXUWFJFHSA-N 430.574 2.254 0 40 IEAB C[C@@H]1CN(CCOc2ccc(CCNC(=O)c3ccc(OCC(N)=O)cc3)cc2)C[C@@H]1C 95460119 DKUNGDOTPYOCNE-KDURUIRLSA-N 439.556 2.490 0 40 IEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(I)c(C)c2)CC1 95946158 ZLGNBIXOQXRVEY-UHFFFAOYSA-N 438.287 2.062 0 40 IEAB CC(C)OC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 101262858 ZGAHQIAOQBOTOK-QCUBABQUSA-N 436.555 2.007 0 40 IEAB O=C(CCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(N2CCCC2=O)cc1 219446686 DCHSQQOSILOCHY-UHFFFAOYSA-N 427.482 2.377 0 40 IEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 224982926 QRKPIUYIJGFSCL-UHFFFAOYSA-N 429.955 2.297 0 40 IEAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)c1 225264207 KZSFILDBMLBWAV-HXUWFJFHSA-N 444.553 2.493 0 40 IEAB Cc1cc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)ccc1F 225609446 ZBVCFAMCGVRHIB-UHFFFAOYSA-N 441.550 2.179 0 40 IEAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3[C@H]3C=CC=NN23)cc1 230030001 JSLUOVFOJJMTGM-MHTWAQMVSA-N 431.448 2.301 0 40 IEAB CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3cc(OC)ccc3C)CCN2C(C)=O)c1 257208464 BMGHWPWCJXJGAD-JOCHJYFZSA-N 438.528 2.207 0 40 IEAB CC(C)n1nccc1NC(=O)CCCN1C(=O)[C@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524733544 VJSBDWVQCXMHNC-ITSWEJNFSA-N 439.516 2.409 0 40 IEAB COC(=O)c1cn([C@H]2CCN(C(=O)c3ccc(C)c(I)c3)C2)nn1 544823331 XTLDKIMJJSZLNW-LBPRGKRZSA-N 440.241 2.065 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1=O 643557901 ZMAMDDYPGGKBTC-XMMPIXPASA-N 438.528 2.342 0 40 IEAB CCOc1cc(C(=O)N2CCC(N3CC(=O)N(C)C3=O)CC2)cc(OCC)c1OCC 823362656 FLYFMGJJOITOSV-UHFFFAOYSA-N 433.505 2.381 0 40 IEAB COc1ccc(C)cc1-n1nnnc1SCC(=O)NCC(=O)Nc1cccc(C)c1C 3350079 VEYGODBFJYHPSA-UHFFFAOYSA-N 440.529 2.443 0 40 IEAB C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCCCC1 5205795 ZMMMLXNNHAAGAN-HOTGVXAUSA-N 429.517 2.154 0 40 IEAB O=C(O)Cc1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)C[C@H](C(=O)O)O2 6183062 LLRVIIZNKCRMGG-OAHLLOKOSA-N 445.371 2.373 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCn3ccnc3)CC2)cc1C 6196477 DQBPITQNGCPDEB-UHFFFAOYSA-N 434.562 2.197 0 40 IEAB CC(C)C[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C 8789945 OCYAQRZWUXAQHB-NLOUDPMVSA-N 433.574 2.063 0 40 IEAB biogenic O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCc1nnc2ccccn12 9058813 DOYZVWDRJZVJQW-UHFFFAOYSA-N 441.557 2.195 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 9226265 JRNZJUCZPGDSEK-LLVKDONJSA-N 426.878 2.425 0 40 IEAB c1ccc(Cn2c(SCc3nnnn3-c3ccccc3)nnc2N2CCOCC2)cc1 9592200 MNKBOXSCAHWSRM-UHFFFAOYSA-N 434.529 2.431 0 40 IEAB COc1ccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCCC3)cc1OC 9747279 CCDUDLIDAVGWOG-UHFFFAOYSA-N 446.573 2.432 0 40 IEAB COc1ccc(NS(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1Cl 12235980 RDNASYLZZACGTF-ZDUSSCGKSA-N 433.939 2.322 0 40 IEAB O=C(COc1ccc(-n2cnnn2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12522866 CMGDLMGNIKRFKS-UHFFFAOYSA-N 432.406 2.409 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C(C)=O)CC3)c2)cc1 12557133 DMXOKLZQFPDZLG-UHFFFAOYSA-N 431.514 2.190 0 40 IEAB Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2-c2nc3ccccc3s2)n(C)c1=O 12579021 HCKDFFOSQMXLBM-UHFFFAOYSA-N 446.492 2.349 0 40 IEAB Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1F 12745567 KGLUUAYQVMWLJE-SFHVURJKSA-N 434.489 2.375 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)O 12881941 RFUPAELEDGOCAH-XAFIJRRZSA-N 447.557 2.155 0 40 IEAB biogenic Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccccc1I 12922742 ZUHUJUAAIGGSON-UHFFFAOYSA-N 449.270 2.155 0 40 IEAB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NC[C@H]1COc2ccccc2O1 12973339 GUMJOOSUNYTDDZ-ZWKOTPCHSA-N 430.526 2.260 0 40 IEAB CCOc1ccc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)cc1S(=O)(=O)N(C)C 14117857 WVHOFZUBJSTPRX-CYBMUJFWSA-N 433.486 2.443 0 40 IEAB Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c(C)c1 15139470 DAGRDHOCRWMHRK-UHFFFAOYSA-N 432.542 2.442 0 40 IEAB Cc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N([C@@H](C)C(=O)NCc3ccco3)CC1)O2 19219061 YHEPMSJCLIEOER-QMHKHESXSA-N 425.485 2.166 0 40 IEAB Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCOC3)[nH]c(=O)c2C1 19238674 LLHPURFMCDPYMB-CRAIPNDOSA-N 428.558 2.398 0 40 IEAB Cc1cc(C)n(CCCC(=O)N2CC[C@H](C(=O)c3cnn(-c4ccccc4)c3N)C2)c(=O)n1 19572554 FSEDMLUIAHOTJI-SFHVURJKSA-N 448.527 2.140 0 40 IEAB Cc1nn(C(C)C)cc1S(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19742088 CBMSDAAQACTLJG-INIZCTEOSA-N 432.550 2.306 0 40 IEAB CCOc1ccc(CCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 22368194 VLBXEQTUNBEDDB-UHFFFAOYSA-N 434.514 2.329 0 40 IEAB O=C(CN1CCN(Cc2cc(=O)n3ccccc3n2)CC1)Nc1ccc(N2CCCC2)cc1 22921945 MXVNBRMUTTZSAE-UHFFFAOYSA-N 446.555 2.051 0 40 IEAB COc1cc(NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(C(=O)N(C)C)cc1OC 25216517 OMRSDPOIFOQYDS-UHFFFAOYSA-N 449.529 2.119 0 40 IEAB CC(=O)Nc1ccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)c2)cc1 32090344 WEPGXFKWIVJLJP-SFHVURJKSA-N 430.486 2.206 0 40 IEAB O=C(CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)N[C@@H]1C=CS(=O)(=O)C1 33584904 OAHKVNRPNDSHDV-OZYJXZHSSA-N 426.903 2.193 0 40 IEAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 35907734 VPBKIFQNIUDKBH-MRXNPFEDSA-N 433.530 2.037 0 40 IEAB Cc1cccc(N2CCN(CC(=O)N(C3CCCC3)[C@H]3CCS(=O)(=O)C3)CC2)c1C 38145343 XPQPUVJSXVUPCD-NRFANRHFSA-N 433.618 2.384 0 40 IEAB Cc1cc(-c2cc3nc4c(c(O)n3n2)CCN(CC(C)(C)CN2CCOCC2)C4)no1 72339440 XWSQGKGKIQFBHO-UHFFFAOYSA-N 426.521 2.115 0 40 IEAB CCOC(=O)c1sc(NC(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)nc1C 79477440 PUSLKWGZNIJGPT-LBPRGKRZSA-N 426.520 2.053 0 40 IEAB CCOc1cccc(C(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)c1 84810954 UTYVCYGKAZDLLQ-UHFFFAOYSA-N 431.558 2.130 0 40 IEAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 89830665 VFJLWFUTAUULRR-FQEVSTJZSA-N 436.512 2.044 0 40 IEAB CCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 104530090 BYDMVSJSMATFEA-WSTZPKSXSA-N 445.626 2.068 0 40 IEAB Cn1nc2cc(Br)ccc2c1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217611080 SRUSMZONOQVAPC-UHFFFAOYSA-N 443.305 2.118 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2sc3c(c2C(=O)OC)CCCC3)s1 223510324 TXLGJLCDUQBEFL-UHFFFAOYSA-N 430.533 2.414 0 40 IEAB O=c1[nH]c2ccc(F)cc2c(=O)n1C1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 225763088 NWVAVVBOIQCMCU-UHFFFAOYSA-N 439.415 2.133 0 40 IEAB CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(C(=O)CCc2nc3ccccc3[nH]2)[C@H]1c1ccccc1 257260787 LEIKJOKWGITFIE-HFMPRLQTSA-N 447.539 2.431 0 40 IEAB COC(C)(C)C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 257279670 OHQZYKBTQRGVBQ-PXNSSMCTSA-N 435.540 2.011 0 40 IEAB COc1cccc(N2C[C@H](C(=O)NCc3nnc4n3CC[C@H](C(F)(F)F)C4)CC2=O)c1 575607683 OLSVQLUNJSBEKT-OLZOCXBDSA-N 437.422 2.081 0 40 IEAB COC(=O)[C@@H]1CCCN1C[C@@H]1CC2(CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CO1 585103735 ITZJUDSXRABGNU-SFTDATJTSA-N 446.544 2.353 0 40 IEAB COc1ccccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCC(OC)CC1 585262392 MDLQRMMBIXBAAQ-AZOUXBGGSA-N 440.540 2.485 0 40 IEAB COc1cc(C(=O)N2CCO[C@@]3(C2)C(=O)N(Cc2cccnc2)C[C@@H]3c2ccccc2)on1 2055793358 SWZYTJKPBOSUTE-NTKDMRAZSA-N 448.479 2.116 0 40 IEAB CC(C)Oc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(N)=O)cc3)n2N)c1 2384342 IFOVVKIHEGQRKP-UHFFFAOYSA-N 426.502 2.276 0 40 IEAB COc1ccc(CNC(=O)Cn2nnc(-c3ccccc3Br)n2)cc1OC 3354790 HLXKMNNSLMNZMV-UHFFFAOYSA-N 432.278 2.436 0 40 IEAB CCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2snc(C(N)=O)c2N)cc1 6821920 PBIAECQTEIRVKE-UHFFFAOYSA-N 429.546 2.482 0 40 IEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc3c(c1)CCCN3S(C)(=O)=O)C2=O 8882982 FAYSQRGYIUTPER-UHFFFAOYSA-N 447.557 2.472 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N[C@H](C)c1ccccc1)c(=O)n2Cc1ccccc1 9120054 GVMSTZYWXKADMX-QGZVFWFLSA-N 431.496 2.305 0 40 IEAB O=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 9865060 CCZDWHBQUFQEJX-UHFFFAOYSA-N 443.569 2.369 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2cc(=O)n3ccsc3n2)ccc1F 11463454 OHZQAFGAENUZSZ-UHFFFAOYSA-N 439.490 2.283 0 40 IEAB COc1cccc(COc2coc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2=O)c1 11856927 GERFFERDFKVSMS-UHFFFAOYSA-N 438.436 2.419 0 40 IEAB Cc1ccc(-n2cnnc2SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)c(C)c1 12543718 MTHPPRKZFIFKGF-UHFFFAOYSA-N 427.530 2.164 0 40 IEAB CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(Cc4ccccc4F)CC3)CC2)cc1 12562134 VQGDBRSOUFOOQY-UHFFFAOYSA-N 438.547 2.495 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 13069771 UPVOOIOENKVLIF-UHFFFAOYSA-N 428.518 2.318 0 40 IEAB Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)OCc1nnnn1-c1ccccc1 18332614 DUKQMXVGNYDGCO-UHFFFAOYSA-N 429.502 2.405 0 40 IEAB COc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)[C@@H]4CCC(=O)N4)C3)cc2)cc1 19558187 JPASCXPSCUTBSI-SQJMNOBHSA-N 435.524 2.277 0 40 IEAB C[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)NCCc1c[nH]c2ccccc12 23350017 FXUVUPJYOKUHOU-LBPRGKRZSA-N 449.916 2.373 0 40 IEAB COc1ccc(CC(=O)NCc2ccc(C)c(F)c2)cc1S(=O)(=O)N1CCOCC1 24284609 UDLNXNVGDDPHDK-UHFFFAOYSA-N 436.505 2.023 0 40 IEAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 25829072 LSZJNKNOTMRPBT-GFCCVEGCSA-N 428.864 2.096 0 40 IEAB Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCC2 27663072 JUEFBNRAYVWJHW-AWEZNQCLSA-N 448.566 2.480 0 40 IEAB COc1ccccc1[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F)c1nccn1C 32905105 OIAAUAPRKXEXFU-KUHUBIRLSA-N 446.504 2.140 0 40 IEAB O=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1cc(-c2ccco2)on1 36653457 ZATKGYIIIJHYDY-UHFFFAOYSA-N 448.414 2.458 0 40 IEAB CCc1c(C(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cnn1-c1ccc(OC)nn1 40089576 FKTUJEMBHMDQKM-INIZCTEOSA-N 440.548 2.344 0 40 IEAB Cc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)c(Cl)c1 57520545 BVSCTJPZPVELNE-UHFFFAOYSA-N 433.921 2.357 0 40 IEAB CCS(=O)(=O)NCCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 95352094 AMHNMAIERRTUIC-UHFFFAOYSA-N 430.574 2.277 0 40 IEAB O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96124020 DAZVBTDUOYEYLH-OAHLLOKOSA-N 447.421 2.489 0 40 IEAB O=C(c1cccc(Cl)c1)N1CCC2(CC1)CN(c1ncccn1)C[C@]21CCNC1=O 96144008 BYFDOWDOJJPTFY-QFIPXVFZSA-N 425.920 2.379 0 40 IEAB O=C1C[C@@H](C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)C2(CCCCC2)O1 105744502 VORSMZZPSNUUPP-JXFKEZNVSA-N 447.557 2.221 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 225437231 VTLVICIEFMGURH-QGZVFWFLSA-N 449.548 2.390 0 40 IEAB CN1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CN(Cc3cccnc3)CCO2)CC1 257256814 KNAGDWNKQRWZBH-DEOSSOPVSA-N 442.535 2.035 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1C 408589426 FPAZOFNQLBPWJI-GOSISDBHSA-N 431.558 2.015 0 40 IEAB C[C@@]1(c2cccc(-c3noc([C@H]4CCCN(C(=O)N5CCCC5)C4)n3)c2)NC(=O)NC1=O 563791365 UHKRMQBELBBMBX-NYHFZMIOSA-N 438.488 2.186 0 40 IEAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@@H]1CCCO1)C(=S)NC[C@@H]1CCCO1)OCO3 890817 JYLLOBYDXRFVQN-IRXDYDNUSA-N 445.541 2.291 0 40 IEAB COc1ccccc1-c1nc2s/c(=C\c3cc(OC)c(OC)c(OC)c3)c(=O)n2n1 2358949 ODTMNQMISAWJEE-BOPFTXTBSA-N 425.466 2.400 0 40 IEAB CC(C)COC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(I)cc1 8816042 DKDOCFFRVAZPHG-UONOGXRCSA-N 432.258 2.458 0 40 IEAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCCCSc2ccccc2)c1 9469793 UCYADWLBNZIZII-UHFFFAOYSA-N 435.571 2.083 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(C)c1 9500329 VDICQFQZIWSCFN-FQEVSTJZSA-N 430.526 2.285 0 40 IEAB CCOc1cc2c(cc1CNC(=O)CSc1nnnn1-c1ccc(O)cc1)O[C@H](C)C2 9781239 LSLXVMPXRCZFBU-CYBMUJFWSA-N 441.513 2.499 0 40 IEAB C[C@H](C(=O)NCCC(=O)NCCc1c[nH]c2ccccc12)n1cnc2ccccc2c1=O 12296567 HHXHPOLEBHJKFX-MRXNPFEDSA-N 431.496 2.304 0 40 IEAB biogenic O=C(c1ccc(Br)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617262 LCEWOCVIYHNJEL-UHFFFAOYSA-N 433.331 2.477 0 40 IEAB CC(C)C[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)O 12662521 JFPKRMBOMUPSRN-IRXDYDNUSA-N 439.553 2.240 0 40 IEAB biogenic Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12819112 QZOFTMKAPOSOIU-UHFFFAOYSA-N 436.553 2.371 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(C)cc3)CC2)cc1 12847060 CZBHEUGXTGSDLC-LJQANCHMSA-N 434.558 2.140 0 40 IEAB O=C(Cc1ccsc1)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 13102120 HUTXLOJUPTUHPI-UHFFFAOYSA-N 442.946 2.020 0 40 IEAB CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(N)=O 13112554 ZHXVTKVXKGGQAP-OAHLLOKOSA-N 439.331 2.449 0 40 IEAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 14253662 QYARXLFBULKJFV-UHFFFAOYSA-N 447.539 2.255 0 40 IEAB Cc1cccc(N2CCN(C(=O)c3ccc(N4C(=O)[C@@H](C)CS4(=O)=O)cc3)CC2)c1 15842776 ZVPIGPAAFMERRM-KRWDZBQOSA-N 427.526 2.270 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2)C1=O 15843019 VNDKAZRTGBXEID-MRXNPFEDSA-N 442.541 2.003 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N[C@@H](C)CCc2ccccc2)c1 15978421 YHDIKSNHVPGLRR-INIZCTEOSA-N 428.485 2.114 0 40 IEAB O=C(N[C@H]1CCCOC1)c1cc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)no1 19331064 SZPRJGIKSXCYLF-INIZCTEOSA-N 437.493 2.291 0 40 IEAB O=C([C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1)N1CCC(O)CC1 19372449 OAZLYGRNTZTSEW-VXKWHMMOSA-N 435.572 2.276 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(Cc2c(CN(C)C)cnc3ccnn23)CC1 19704821 XBHLIQBATXPOPQ-UHFFFAOYSA-N 432.550 2.039 0 40 IEAB COc1ccccc1CNC(=O)c1cncnc1CC1CCN(C(=O)[C@H]2CCCO2)CC1 19756739 WNMGXODBWDIANH-JOCHJYFZSA-N 438.528 2.375 0 40 IEAB CCN1CCN(C(=O)COc2ccc(N(CC)S(=O)(=O)c3ccccc3)cc2)CC1 19937938 YSYPJGLUWICNPS-UHFFFAOYSA-N 431.558 2.445 0 40 IEAB COc1ccc(CCN2C[C@@H](C(=O)Nc3ccc(Cn4cncn4)cc3)CC2=O)cc1OC 20739536 SMQPFCRQYXYDKM-IBGZPJMESA-N 449.511 2.373 0 40 IEAB O=C(CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCc1ccncc1 20746019 XLKQCFJZUPMZLZ-UHFFFAOYSA-N 433.512 2.334 0 40 IEAB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1 21637848 UBHKUDKOVGOCPU-INIZCTEOSA-N 428.441 2.377 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccccc1F 22526979 DYKMMMWNBKNNCM-UHFFFAOYSA-N 425.551 2.488 0 40 IEAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCN([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 23254062 VPKVNONGUYYFSE-ROUUACIJSA-N 444.526 2.292 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O 25178222 JADYEHQNAKOESK-UHFFFAOYSA-N 428.363 2.415 0 40 IEAB Cc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCC2 27663069 JUEFBNRAYVWJHW-CQSZACIVSA-N 448.566 2.480 0 40 IEAB COc1cc(N2C[C@@H](C(=O)NCCOc3ccccc3F)CC2=O)cc(OC)c1OC 29979775 SNINHNLHSBKLGR-AWEZNQCLSA-N 432.448 2.400 0 40 IEAB Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(=O)C(C)C)CC2)c(C)c1C 32778289 STTUBUIDXSLSGT-IBGZPJMESA-N 437.606 2.222 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1ccsc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 35897863 VAWQIHGWOSEKLB-WTTBNOFXSA-N 444.465 2.224 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)Cn2cnc3scc(-c4ccco4)c3c2=O)cc1 36646067 YCJOVCFDSUUIJA-UHFFFAOYSA-N 430.467 2.004 0 40 IEAB CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)sc2n1 40146783 QXTGMZZGTPEIRF-UHFFFAOYSA-N 425.514 2.016 0 40 IEAB CCOC(=O)c1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cs1 40153537 NADUYAYNSFEKEU-UHFFFAOYSA-N 435.571 2.315 0 40 IEAB COc1cc(/C=C/C(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cc(OC)c1OC 44003885 LSLWNRLMTXMKFI-QPJJXVBHSA-N 438.546 2.046 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(-n3ccnc3)cc2)Oc2ccc(Cl)cc21 44932703 HNRPKXDKWNIBTH-LJQANCHMSA-N 446.916 2.369 0 40 IEAB Cc1nc(CN2CCN(C(=O)c3cc(Cl)ccc3I)CC2)n[nH]1 72288530 FMRRMQXQNZUMFM-UHFFFAOYSA-N 445.692 2.329 0 40 IEAB CSCC[C@H](NC(=O)CCCN1C(=O)c2nccnc2C1=O)c1nc2ccccc2[nH]1 96232812 GAKBKGCTYBHTDR-HNNXBMFYSA-N 438.513 2.340 0 40 IEAB COCCn1/c(=N/C(=O)c2ccccc2Cl)sc2cc(S(N)(=O)=O)ccc21 100872882 MHIXFKNXPIGKLV-JZJYNLBNSA-N 425.919 2.391 0 40 IEAB O=C1N[C@@](Nc2ncc(Cl)cn2)(C(F)(F)F)C(=O)N1CCC1=CN[C@@H]2C=CC=C[C@H]12 101675976 OYISWBUZQIPFQV-PBFPGSCMSA-N 440.813 2.340 0 40 IEAB COc1cccc(N([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)S(C)(=O)=O)c1 220163008 VFVJMBYMUULNCX-OAHLLOKOSA-N 436.530 2.226 0 40 IEAB COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCCCO)cc1OC 222883228 INQNCHBYXUWHLC-INIZCTEOSA-N 432.492 2.301 0 40 IEAB Cc1nc(NS(C)(=O)=O)sc1C(=O)NCCSc1nc(-c2ccccc2)n[nH]1 225876031 YGIWGWGGRSHPDB-UHFFFAOYSA-N 438.560 2.130 0 40 IEAB COCCNC(=S)Nc1nc(N2CCCC2)cc(N2CCN(c3ccccc3)CC2)n1 225897432 JTXFTXDNBWCMDP-UHFFFAOYSA-N 441.605 2.336 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3CN(c4nc5ccccc5n4C)C[C@@H]3C2)c1 1888994476 IPQICWBPQSCMNQ-IYBDPMFKSA-N 442.541 2.347 0 40 IEAB CCCOC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)sc(C(=O)OC)c1C 2803994 LRLQEOLDXIRCHA-UHFFFAOYSA-N 446.547 2.020 0 40 IEAB C[C@@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)cc2NC1=O 3456339 KKGKFUJZVBRUKV-LBPRGKRZSA-N 437.568 2.328 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3F)cc2C1=O 3569382 BWKPCOZOZOYQLX-UHFFFAOYSA-N 432.379 2.393 0 40 IEAB COc1ccc(OC)c(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c1 8778497 ISPRCLOHPHLJFP-UHFFFAOYSA-N 433.468 2.114 0 40 IEAB O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@@H]1COc2ccccc2O1 8896229 JNXJTOZGCCOKKL-FQEVSTJZSA-N 429.432 2.353 0 40 IEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O 8965978 CFSHCFCFUNJSCY-IFXJQAMLSA-N 445.479 2.395 0 40 IEAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCC1 9487576 AOHJEHRFHOCTMK-VFNWGFHPSA-N 429.517 2.010 0 40 IEAB C[C@@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)c1c[nH]c2ccccc12 9551072 ATBLNKZQXRCHNB-CYBMUJFWSA-N 425.466 2.411 0 40 IEAB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NCc1ccco1)c1ccccc1 9974361 YOIYPGRFCNTJIU-MOPGFXCFSA-N 437.404 2.432 0 40 IEAB O=S1(=O)CC[C@H](n2nc(-c3ccco3)cc2NS(=O)(=O)c2ccc(F)cc2)C1 11795957 XOZAYGQBYMSHPK-ZDUSSCGKSA-N 425.463 2.443 0 40 IEAB C[C@H]1CN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C[C@@H](C)O1 12232908 KOZMBDJYZSBPMH-LZWOXQAQSA-N 425.514 2.255 0 40 IEAB COc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)ccn3n2)cc1 12414455 IPDUJJMDAHOYEQ-UHFFFAOYSA-N 432.436 2.217 0 40 IEAB COc1ccc([C@H]2OC(=O)N(CCN3CCOCC3)[C@]2(O)c2ccc(OC)cc2)cc1 12420526 IDMMCXPEDHIIMH-GGAORHGYSA-N 428.485 2.375 0 40 IEAB CCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2NC(=O)c2cc(C)on2)CC1 12557743 WOCNEBSJHPPRGW-UHFFFAOYSA-N 449.577 2.408 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCNC(=O)c1ccco1 12693938 CHTVTOIXZLQREQ-UHFFFAOYSA-N 435.502 2.221 0 40 IEAB COC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cc(C(=O)OC)c1 12764563 ZRGFUGJRFBSXKY-UHFFFAOYSA-N 448.497 2.136 0 40 IEAB O=C(NCCOc1ccccc1F)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12795916 VXVTZRYIJZAQSS-UHFFFAOYSA-N 425.457 2.060 0 40 IEAB COc1ccc(/C=C/C(=O)N[C@@H](C(=O)OCn2nnc3ccccc3c2=O)C(C)C)cc1 13108155 FNCUCTVLLOGZJX-QYFOZDBKSA-N 436.468 2.155 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(CC)CC3)C2)cc1Cl 13119416 DHFSSPDIOALVPI-MRXNPFEDSA-N 443.997 2.304 0 40 IEAB CC1CCN(CCCNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1 13670202 FYYVKBLQXKTZHW-UHFFFAOYSA-N 446.411 2.453 0 40 IEAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(C(=O)c3ccncc3)CC2)C1=O 14245757 SXALENOQWNJLIU-VWLOTQADSA-N 443.507 2.417 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)Cc3ccsc3)[nH]c2=O)C1 19404991 DFGGLFBCPWWODI-LJQANCHMSA-N 449.536 2.331 0 40 IEAB COc1cccc(CNC(=O)CN2C(=O)N3CCN=C3c3cnn(-c4ccccc4)c32)c1 19565548 HBBFMTLDTFUKLY-UHFFFAOYSA-N 430.468 2.200 0 40 IEAB COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)c4cnccn4)C3)nc(O)c2C1 19570624 FLSNWPOTSBHWSV-KRWDZBQOSA-N 446.511 2.169 0 40 IEAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)[C@@H]2CC(=O)N(C)C2)CCO1 19587323 FLELXEPLAMAUKI-ATIYNZHBSA-N 449.551 2.060 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(CN(C)C(C)=O)cc(N(C)C)n2)cc1 19760781 PVNKIKIIHPNLSA-LJQANCHMSA-N 447.561 2.055 0 40 IEAB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)N3CCN(C)CC3)n2C)C(C)C)c1 19840690 VDZJMTHYKPCILO-LJQANCHMSA-N 444.605 2.117 0 40 IEAB CCn1c(SCCN2C(=O)c3ccccc3C2=O)nc2cc(S(N)(=O)=O)ccc21 22310480 MJTDSANPWDDXSI-UHFFFAOYSA-N 430.511 2.092 0 40 IEAB COc1ccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 32753373 UWIGATDDADYCCC-UHFFFAOYSA-N 434.562 2.082 0 40 IEAB CN1CCN(Cc2ccc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)cc2)CC1 32921822 DPULHCYJYKNCGE-JOCHJYFZSA-N 442.585 2.226 0 40 IEAB CCOC(=O)COc1ccccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O 34868385 RHKHKNQDLSONRS-GDNBJRDFSA-N 428.397 2.101 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21)C(=O)NC[C@H]1CCCO1 35485434 PDSJGGLQYLHPKJ-JJBLBMCYSA-N 431.558 2.083 0 40 IEAB Cn1nc(CC(=O)OCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)c2ccccc2c1=O 40011873 YDAGWVIKKGQCMD-UHFFFAOYSA-N 444.369 2.475 0 40 IEAB COc1cccc(-c2cn(C)c3c(=O)n(CC(=O)NCc4ccc5c(c4)OCO5)cnc23)c1 67235634 UXBIPOZJHBPUHQ-UHFFFAOYSA-N 446.463 2.456 0 40 IEAB CCN(CC(C)(C)O)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 72310427 WRLPSYFRJNFUOZ-ZIAGYGMSSA-N 432.970 2.371 0 40 IEAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccccc1CN1CCC[C@@H]1CO 96011732 YRHRAEKZRQAMAF-HXUWFJFHSA-N 440.935 2.267 0 40 IEAB O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC[C@@H]1COc2ccccc2O1 96905387 ZSVNVDFUJFJOGM-MRXNPFEDSA-N 436.434 2.179 0 40 IEAB O=C(NCc1ccccc1)[C@@H]1[C@H]2O[C@@H](C(Br)=C2Br)[C@@H]1C(=O)O 100352260 DEWFVKCHJHZNRI-HIAZDOBYSA-N 431.080 2.402 0 40 IEAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 223147863 ZJTHNCUPZFXIGY-UHFFFAOYSA-N 448.482 2.386 0 40 IEAB Cc1ccc(-c2noc(CNC(=O)CN(Cc3ccccc3F)S(C)(=O)=O)n2)cc1 223609471 BOOUGQVILRMWAY-UHFFFAOYSA-N 432.477 2.262 0 40 IEAB COc1ccccc1OCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 224478690 XJYUCPWNIPVYSP-GOSISDBHSA-N 440.905 2.071 0 40 IEAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](Cc2n[nH]c(=O)n2-c2ccccc2F)C1 225550822 COCGPZJVFNUSGE-INIZCTEOSA-N 447.474 2.375 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)COc3c(C)cccc3C)C2)nc2c1CCN(C(C)=O)C2 257245501 IPTMBPXCQAZYGW-SFHVURJKSA-N 437.544 2.435 0 40 IEAB CN([C@H](C(=O)N1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1)S(C)(=O)=O 260767886 PVACKLPVFUEBMN-FQTAANOTSA-N 427.570 2.477 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)c4cncc(C)c4)C[C@@H]2C3)cc1 306140602 UYQINRQRGSSYOO-IRXDYDNUSA-N 432.484 2.187 0 40 IEAB C[C@H](Oc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1)C(=O)N1CCOCC1 408593232 LXWHABKIRRGVRH-HNNXBMFYSA-N 438.933 2.445 0 40 IEAB COCCNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)ccc1C 408620221 IVZKGHVXHHHQNI-UHFFFAOYSA-N 435.521 2.021 0 40 IEAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 408702254 MDSOYABXHLIFDY-UHFFFAOYSA-N 449.598 2.296 0 40 IEAB CCOc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)nc2O)ccc1O[C@H](C)C(=O)N(C)C 585145783 HYAIRAAJEXXHIQ-KOOLMNOSSA-N 446.569 2.327 0 40 IEAB COc1ccc(CCNC[C@@]2(O)CCN(C(=O)c3ccc(Cl)cc3)C[C@@H]2O)cc1OC 585290204 ONYAELLLWUMORJ-GMAHTHKFSA-N 448.947 2.127 0 40 IEAB COc1ccc(Cn2nc(Br)c(=O)n(Cc3ccc(OC)cc3)c2=O)cc1 1857793609 AUQOFCRCQAIQQZ-UHFFFAOYSA-N 432.274 2.281 0 40 IEAB Cc1ccsc1S(=O)(=O)N1CC[C@H]2C[C@H](C(=O)N(C)Cc3ccccn3)O[C@@H]2C1 2055729715 AZJCEAUFPLPILT-CGTJXYLNSA-N 435.571 2.278 0 40 IEAB CC(C)CNC(=S)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 5440430 YXZKDBIMFSLJNT-INDMIFKZSA-N 431.537 2.350 0 40 IEAB biogenic,in-vitro CC(C)(C)NC(=O)NC(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 6515428 GJCKRIITBYPNLV-GOSISDBHSA-N 425.485 2.195 0 40 IEAB CCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2CCCN(C)C)s1 6860972 FXSYNXUOMIPFPP-UHFFFAOYSA-N 432.579 2.437 0 40 IEAB O=C(NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1ccccc1-n1cnnn1 9416275 KMSBTDRMGMMUTH-BOPFTXTBSA-N 438.444 2.268 0 40 IEAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 9913908 FVNRXMVEVUZIEI-GFCCVEGCSA-N 444.513 2.253 0 40 IEAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2c(OC)cccc2OC)c1 9933651 XHLHVUBSUVYZFM-UHFFFAOYSA-N 441.484 2.411 0 40 IEAB CC(C)OC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1Cl 10128963 FQDYCUDKFSLVJI-CYBMUJFWSA-N 432.329 2.150 0 40 IEAB O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NCc1ccc(NC(=O)C2CC2)cc1 10902380 NHCFUTDPXHVYHV-VWLOTQADSA-N 446.507 2.435 0 40 IEAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 11656882 VBXGUZYEBWWNQI-AWEZNQCLSA-N 425.441 2.416 0 40 IEAB CCn1c(=O)n(CC(=O)N2CCc3ccccc32)c2c(C(N)=O)nc(-c3ccsc3)nc21 12236940 OOUJQQFOAYDTJA-UHFFFAOYSA-N 448.508 2.030 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)c2cc3ccccc3cc2OC)c(=O)[nH]c1=O 12917442 RBAGHCZSUSEIHH-UHFFFAOYSA-N 440.500 2.374 0 40 IEAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N1CCN(CC(=O)NC2CC2)CC1 14227771 NJGNLJYPXXADQT-CMDGGOBGSA-N 445.926 2.409 0 40 IEAB O=C(N[C@H]1C[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N2C1)c1ccc(Cl)c(Cl)c1 14543736 ICJIUVMWLKPYNE-WBAXXEDZSA-N 432.307 2.434 0 40 IEAB Cc1nn(-c2ccc(N3CCOCC3)nn2)c2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 15107374 VNVRBYWOTVADHP-HNNXBMFYSA-N 434.456 2.010 0 40 IEAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cn1nnc2ccccc2c1=O 16631300 VXTYWVXGYMDAHH-XMMPIXPASA-N 425.448 2.439 0 40 IEAB CCCc1nnsc1C(=O)N1CCC(c2ccc(C(=O)N3CCN(C)CC3)cn2)CC1 19708381 ASGXVCGBNYGFQM-UHFFFAOYSA-N 442.589 2.293 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@H]3CCCCN3S(=O)(=O)N(C)C)nc2C)c1 19764610 IWQHRVBVNFRNHX-LJQANCHMSA-N 447.561 2.057 0 40 IEAB CC1CCN(C(=O)CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)CC1 19925840 XYUJTCKFCOIULX-UHFFFAOYSA-N 437.591 2.132 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)Cn1ccn(-c2ccccc2OCC)c(=O)c1=O 22725803 UIJRBHHUSDOZOR-UHFFFAOYSA-N 437.452 2.213 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCN(C)CC2)c(OC)c1 22767181 DRKDYXXWCJZYCU-QGZVFWFLSA-N 425.576 2.032 0 40 IEAB CCC(CC)c1nnc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)s1 25578341 IAFVVWCJVXBDBL-UHFFFAOYSA-N 439.563 2.061 0 40 IEAB C[C@@H](NC(=O)c1ccc2c(=O)[nH]c(=O)n(C)c2n1)c1cccc(NC(=O)c2ccccc2)c1 32739880 IVNQRKDYYGXGKS-CQSZACIVSA-N 443.463 2.365 0 40 IEAB CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 32898804 NXBDEOIQADLFEE-GOSISDBHSA-N 437.562 2.309 0 40 IEAB O=C([C@@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)c1ccccc1)N1CCOCC1 40149876 JLJXSBUKQDYBBL-KRWDZBQOSA-N 444.431 2.464 0 40 IEAB CCN1CCN(C(=S)N=P(N2CCOCC2)(N2CCOCC2)C(C)(C)C)CC1 57638253 KMFDSFKENGCGJL-UHFFFAOYSA-N 431.587 2.403 0 40 IEAB COc1ccc(C(=O)Nc2ccc([C@H]3OCC(=O)N(C4CCOCC4)[C@@H]3CO)cc2)cc1 72321520 GDXOXYSXRBZNRI-FYYLOGMGSA-N 440.496 2.387 0 40 IEAB biogenic,in-vitro COc1cc(CCC(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)on1 72337181 HXPVIUCWMZSCHU-UHFFFAOYSA-N 429.521 2.265 0 40 IEAB Cc1c(C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)[nH]c2c1C(=O)CCC2 72338881 LRHORXLXWVUPMP-NRFANRHFSA-N 442.541 2.424 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c(C)c1 89591328 QHJRJRNQUVHFGJ-UHFFFAOYSA-N 440.528 2.457 0 40 IEAB CC(C)n1cnc2c1[C@H](C(=O)NCCCN1CCOCC1)N(Cc1ccccc1)CC2 96037536 CKUSDDMUAVDEBP-HSZRJFAPSA-N 425.577 2.402 0 40 IEAB Cc1cc(C)c2c(c1)[C@]1(N[C@@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 105347939 UAOHXMBTDCHQGE-GHAKLACHSA-N 425.529 2.127 0 40 IEAB O=c1n(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)nc(-c2ccco2)n1C1CC1 211076109 NQCUAGMPBCPSNH-UHFFFAOYSA-N 428.514 2.497 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 222973414 NELFGHHHJOUNIK-KRWDZBQOSA-N 449.548 2.308 0 40 IEAB COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224808174 OTLLSZOSAWELCN-UHFFFAOYSA-N 437.470 2.167 0 40 IEAB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1cccc(C(F)(F)F)c1 408663449 YHJQQVZCDYMXDP-CQSZACIVSA-N 449.385 2.381 0 40 IEAB COc1ccc(-c2n[nH]c(CNC(=O)C(=O)Nc3cnc(-c4ccccc4)nc3)n2)cc1 504368675 UOYSWKXPDWNYBO-UHFFFAOYSA-N 429.440 2.192 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N1CCC(Oc2ncc(-c3cnn(C)c3)cn2)CC1 1889260055 OQRQPZDGDDGKRV-UHFFFAOYSA-N 447.492 2.257 0 40 IEAB Cc1cc(C)nc(SC[C@H](C)Cn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)n1 8706307 JFCYFJGTZLQPIA-MRVPVSSYSA-N 439.339 2.021 0 40 IEAB COc1ccc(C2=NN(C(=O)CSc3nc(N)nc(N)n3)[C@@H](c3ccco3)C2)cc1 8825974 IWIQIXMRTPIGOT-CQSZACIVSA-N 425.474 2.108 0 40 IEAB CSc1nc(N2CCCC2)c2cnn(CCNC(=O)COc3ccccc3F)c2n1 8946754 RUOGDAFHUMTAKT-UHFFFAOYSA-N 430.509 2.483 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N1 9426345 AQADROQZXLMIDD-IBGZPJMESA-N 439.491 2.148 0 40 IEAB O=S(=O)(c1ccc(-n2cncn2)c(NC(=S)Nc2ccccc2)c1)N1CCOCC1 9439892 XXHQJQAVYCYKJT-UHFFFAOYSA-N 444.542 2.097 0 40 IEAB O=C(CCc1nnc2n(CCc3ccccc3)c(=O)c3ccccc3n12)N1CCOCC1 9831343 MEOPMPZRMBDRGF-UHFFFAOYSA-N 431.496 2.078 0 40 IEAB C[C@H](NC(=O)CN1CCN(c2nnnn2-c2ccccc2)CC1)c1ccccc1Cl 12974592 YRCHAFDCTGDOOL-INIZCTEOSA-N 425.924 2.315 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1 13009492 FCEGSPLUDVMGLI-UHFFFAOYSA-N 445.360 2.451 0 40 IEAB CNS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 15622841 HJJVVCQQESBHNA-KPKJPENVSA-N 427.526 2.485 0 40 IEAB CN(C)c1ncc(-c2ccccc2F)c([C@H]2CCCN(C(=O)CN3CCOCC3)C2)n1 19694016 TWSGNHVUIZHHBX-KRWDZBQOSA-N 427.524 2.387 0 40 IEAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1C 22176771 FBZKEMWQGRGFEI-INIZCTEOSA-N 446.525 2.216 0 40 IEAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)c1 22851280 JFVFSCWYARIVPT-HXUWFJFHSA-N 438.528 2.076 0 40 IEAB O=C(COc1coc(CN2CCN(C(=O)c3ccco3)CC2)cc1=O)NC1CCCCC1 22852810 BUUYEUBIAGBYFP-UHFFFAOYSA-N 443.500 2.019 0 40 IEAB COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1Cl 34874293 RJXVKBLHTOBXCH-UHFFFAOYSA-N 429.951 2.355 0 40 IEAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 34890310 JSVPZGIPEVUKRB-HOTGVXAUSA-N 430.530 2.012 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(OCc3ccccn3)c2)C[C@@H](C)O1 48252675 HZPWYTDQPZIDNJ-CALCHBBNSA-N 448.545 2.221 0 40 IEAB COc1cc(C)c(CN2CCN(S(=O)(=O)c3cc(C(=O)O)cs3)CC2)cc1OC 49609513 ZQTIUFXZGDSWRB-UHFFFAOYSA-N 440.543 2.278 0 40 IEAB CCOc1ccc(S(=O)(=O)NC[C@@H](C)NS(=O)(=O)c2ccc(OCC)cc2)cc1 54363282 SBCNNRAEBABBHV-OAHLLOKOSA-N 442.559 2.129 0 40 IEAB COc1cc(NC(=O)CN2CC[C@]3(CCC2=O)NC(=O)c2ccccc2N3)cc(OC)c1 72325914 QRIJUFIKPFDRIX-QHCPKHFHSA-N 438.484 2.207 0 40 IEAB Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)cc1 72334973 RGQIVDWWBYSFSU-DOTOQJQBSA-N 427.530 2.346 0 40 IEAB CNC(=O)c1ccc(-c2ccc(C3CCN(C(=O)CC[C@H]4CCC(=O)N4)CC3)nc2)cn1 72374139 QGVKQZJSMGJZJV-LJQANCHMSA-N 435.528 2.268 0 40 IEAB CCN(CC)CC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)CC1 72398952 WRPPEEWMHVGLAO-UHFFFAOYSA-N 443.617 2.438 0 40 IEAB O=S(=O)(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1 77261883 BCWCSISZDLWUIW-RRCSTGOVSA-N 436.839 2.310 0 40 IEAB biogenic,in-vitro COC(=O)c1nc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)sc1CC(C)C 96344815 NTCAUWYCZGOJQK-CYBMUJFWSA-N 430.486 2.208 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCc3ccccn3)CC2)cc1 101541625 LQIKHUCZVANGGT-HDICACEKSA-N 444.557 2.441 0 40 IEAB CCOC(=O)C1=C(O)C[C@@]2(O)[C@@H](C1)C[C@@]1(OC)OCC[C@@H]3C(C)=CC[C@@H]2[C@]31C(=O)OC 103883881 LAOGNELAYWGEFM-JVQGZNRKSA-N 436.501 2.411 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCSc1ncn[nH]1 222851901 FCAWCRTVHBLXHO-UHFFFAOYSA-N 437.591 2.257 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)ccc1OC 223784585 VQYUYQNZTZMWDL-UHFFFAOYSA-N 431.514 2.482 0 40 IEAB CCS(=O)(=O)N1CCc2c(O)nc([C@@H]3CCCCN3C(=O)C3[C@@H]4CCCC[C@@H]34)nc2C1 253490347 IHSMGNKKHVHFFU-RKVPGOIHSA-N 448.589 2.380 0 40 IEAB CN1CCN(C(=O)Cn2nnc3ccccc32)[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O 257239143 HODBJONUWYVZPT-HSZRJFAPSA-N 440.507 2.405 0 40 IEAB NC(=O)CCn1cc(CN2CCC[C@@]3(CC2)Cc2c(O)nc(O)nc2O3)c2ccccc21 257318563 VOMKETXMVPYDRW-HSZRJFAPSA-N 437.500 2.078 0 40 IEAB CS(=O)(=O)N(CC(=O)NC[C@H]1COc2ccccc2O1)c1ccc(F)c(Cl)c1 260907922 UGPAONRHJDIRHV-ZDUSSCGKSA-N 428.869 2.201 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@@H]2CN(C(=O)Cc4ccccc4)C[C@H]2C3)cc1 306136711 QAVYPSCHXQVUTH-MSOLQXFVSA-N 431.496 2.412 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 409272000 XIVVAJNKERODSP-UHFFFAOYSA-N 433.530 2.084 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N(CCCCCC(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1C 575424045 RHTOUVDGSLPEGW-QGZVFWFLSA-N 431.576 2.435 0 40 IEAB OC1(CN2CCOC[C@@](O)(COc3ccccc3)C2)CCN(c2cccc(F)c2)CC1 585287199 KWULLHISOFUOMA-XMMPIXPASA-N 430.520 2.299 0 40 IEAB O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 1528352644 ZDDVJOMGNRUKTG-CYBMUJFWSA-N 437.518 2.244 0 40 IEAB CC[C@@]1(OC(=O)CN(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 1614088 KXLAXZBCXIEAGC-DEOSSOPVSA-N 433.464 2.192 0 40 IEAB Cc1ccc(S(=O)(=O)NOCCCCONS(=O)(=O)c2ccc(C)cc2)cc1 1740793 DFUVNQNWQUPABV-UHFFFAOYSA-N 428.532 2.204 0 40 IEAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=O)n(-c3cccc(Cl)c3)c1=O)NCC2 9172633 HVNWKOJCMPRHMS-SFHVURJKSA-N 429.860 2.137 0 40 IEAB biogenic CCCn1c(=O)n(C)c(=O)c2c(SCC(=O)NCc3ccco3)nc(C(C)(C)C)nc21 9283873 XSONVVWOHHGLJF-UHFFFAOYSA-N 445.545 2.199 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N1c3ccccc3C[C@H]1C)c(=O)n2Cc1ccccc1 9366785 LFCRHLLULYCACB-QGZVFWFLSA-N 443.507 2.406 0 40 IEAB COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)c1ccc(Br)o1 10804203 YYDVZQLXQIPISR-UHFFFAOYSA-N 425.235 2.271 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(NC(=O)CSc3nc4ccccc4n3C)C2=O)cc1 12549538 YHCVUSORLKDIGS-NRFANRHFSA-N 439.497 2.172 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2F)CC1 12776678 RDSLKSODWZFZAO-UHFFFAOYSA-N 446.298 2.340 0 40 IEAB Cc1ccc([C@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 12986897 BUGCZYGCPGGZHY-HXUWFJFHSA-N 427.526 2.093 0 40 IEAB CC(C)(C)C(=O)NCc1ccc(C(=O)COC(=O)c2ccc(OCC(N)=O)cc2)s1 14239239 PXCHMLCJBHUZLV-UHFFFAOYSA-N 432.498 2.314 0 40 IEAB Cn1ncc2c1CCc1sc(NC(=O)C(C)(C)NS(=O)(=O)c3cccs3)nc1-2 19080951 YLEJAHPCXMDIQB-UHFFFAOYSA-N 437.572 2.399 0 40 IEAB O=C(CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21)Nc1ccc(N2CCOCC2)cc1 19374610 YNQXDOKGTVMOQY-NRFANRHFSA-N 434.496 2.113 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cnn(CCC)c3)[nH]c2=O)C1 19501670 UYFAMSOJCDZRHL-IBGZPJMESA-N 440.548 2.429 0 40 IEAB c1ccc([C@@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)cc1 20101267 VAUKCDHMTBCLSG-JOCHJYFZSA-N 431.544 2.302 0 40 IEAB Cc1ccc(S(=O)(=O)c2cn(CC(=O)NCCN3CCOCC3)c3ccccc23)cc1 22767602 VWHHIKWYBNPBHJ-UHFFFAOYSA-N 441.553 2.231 0 40 IEAB CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCc2nnsc2Cl)c1 24226771 BITSDMZTOPVSOB-UHFFFAOYSA-N 430.939 2.399 0 40 IEAB CCOC(=O)c1sc(NC(=O)N2CCC(C(=O)NC)CC2)c(C(=O)OCC)c1C 24651049 XRVJQYKQDJBUBH-UHFFFAOYSA-N 425.507 2.400 0 40 IEAB CC[C@H](C)[C@@H](NC(=O)c1csc(-c2ccsc2)n1)C(=O)NCCN1CCOCC1 32925716 CFRXXGJIYVFGRL-WMLDXEAASA-N 436.603 2.465 0 40 IEAB CN1CCN(C(=O)CCNC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 40145545 UZQNYFGHCZPRDR-UHFFFAOYSA-N 440.500 2.280 0 40 IEAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)NCCc2ccccc2)CC(=O)N3)cc1 40399875 OOLMVJXCDSDKKW-KRWDZBQOSA-N 433.468 2.307 0 40 IEAB COc1ccc(Cc2nnc(C3CCN(C(=O)c4ccc(=O)n(C)n4)CC3)s2)cc1 49422482 GXHXCXBXUKVQRV-UHFFFAOYSA-N 425.514 2.251 0 40 IEAB COc1cccc([C@H]2CCN(CC(=O)NCCc3ccc(OC)c(OC)c3)C[C@@H]2O)c1 57718602 HNIWTUPMNMQCFA-RTWAWAEBSA-N 428.529 2.222 0 40 IEAB COc1ccc2cnn(CC(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)c2c1OC 61722079 JNHWJRPSSCJSPR-RMKNXTFCSA-N 448.523 2.271 0 40 IEAB Cc1noc(CCC(=O)N2CCC(c3ccc(C(=O)NC[C@@H]4CCCO4)cn3)CC2)n1 72374427 ZTRGLXOAQSHUHE-SFHVURJKSA-N 427.505 2.021 0 40 IEAB CCOC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2S(=O)(=O)c1ccc(C(=O)OC)cc1 79023914 ZJFJIKHPZLFSAT-GFCCVEGCSA-N 432.454 2.186 0 40 IEAB O=C(NCc1cccc(Br)c1)C1CCN(S(=O)(=O)N2CCCC2)CC1 90610303 SSBOBLOATDSEME-UHFFFAOYSA-N 430.368 2.118 0 40 IEAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCCCCN3CCC[C@H]3CO)cc2)c1C 95428342 PHVVEBQYQKHEJH-FQEVSTJZSA-N 428.533 2.324 0 40 IEAB CC(=O)N1c2ccc(S(=O)(=O)Nc3cn(C)cc(Br)c3=O)cc2C[C@@H]1C 95468577 UKAFWEVXEAAPJE-JTQLQIEISA-N 440.319 2.246 0 40 IEAB O=C(Nc1ccccc1O)[C@@H]1[C@H]2O[C@@H](C(Br)=C2Br)[C@@H]1C(=O)O 100352133 SOBYUWXFDOGLOT-JTRYMVSWSA-N 433.052 2.430 0 40 IEAB CCOC(=O)COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OC 106765394 SZKLELOFUWLABD-BOPFTXTBSA-N 448.497 2.296 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 222600600 OGHSOOPYWOHYSS-INIZCTEOSA-N 435.521 2.063 0 40 IEAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225283991 PFWDMWWXZHAONJ-WBVHZDCISA-N 434.489 2.183 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 225749749 ZGPWFMSYDVQDEU-UHFFFAOYSA-N 449.480 2.416 0 40 IEAB O=C(NCCCNC(=O)[C@@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1)c1ccco1 247447016 YTBGLJWCUWYCOV-MTNCGBOCSA-N 437.496 2.471 0 40 IEAB C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)COC[C@H]2CCCO2)C[C@@H](C)O1 248327618 ANGNOGMICNTHIG-MTNOOBJLSA-N 432.565 2.416 0 40 IEAB Cc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(OCCN4CCCCC4)cc3)C2)ncn1 257312774 UPLKKOJBLMUNJP-XMMPIXPASA-N 439.560 2.021 0 40 IEAB CCN1CC(=O)N2CC[C@@H](CC(=O)NCCOC)[C@@H](/C=C\COc3ccccc3C1)C2 514287494 GHJRBHIQDURWOO-LQVMRVBZSA-N 429.561 2.075 0 40 IEAB COc1cc2c(cc1OC)[C@H](NC(=O)C[C@@H]1NC(=O)N(CCc3ccccc3)C1=O)CC2 524730405 IDLGGVIRAQLFJE-MOPGFXCFSA-N 437.496 2.361 0 40 IEAB biogenic O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1csc([C@H]2CCCO2)n1 534422415 BOFYAGDCSWXZEL-NVXWUHKLSA-N 444.561 2.020 0 40 IEAB CCOC(=O)C1=NN[C@]2(c3ccccc3)C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 646084 LTZMZVNKGSZTKP-YWZLYKJASA-N 442.269 2.356 0 40 IEAB Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N4C[C@@H](C)O[C@H](C)C4)CC3)CC2=O)cc1 8246911 MJXUTQYZEVFXTK-QWFCFKBJSA-N 427.545 2.222 0 40 IEAB Cc1cccc(-n2ccnc2SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 8862456 SMAODQOELHJDIU-UHFFFAOYSA-N 430.555 2.279 0 40 IEAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N[C@]1(C)CCS(=O)(=O)C1)n2CC 9155273 DMJICSTZUHBWMH-LJQANCHMSA-N 439.559 2.018 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 9233821 VARWAVMNTFHJRR-LLVKDONJSA-N 438.303 2.088 0 40 IEAB COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cn1 9244858 NEAKLSREAKBNIZ-UHFFFAOYSA-N 447.513 2.291 0 40 IEAB O=C(NCCO)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br 9327368 HACNDTAHBZAGBX-DHDCSXOGSA-N 433.258 2.057 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc2c(c1)CCC2 9396787 NBFQQFPRUMPSBS-UHFFFAOYSA-N 446.525 2.222 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCC(C)CC3)CC2)c(C)c1 9508931 QFYJFGRHFYTDMR-UHFFFAOYSA-N 449.617 2.483 0 40 IEAB C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H]1c1cccn1C 9577783 WWKKEJBPMOMWMT-LAUBAEHRSA-N 446.573 2.210 0 40 IEAB Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCCc3c[nH]c4ccccc34)ccc12 12297106 OHJBFULBSMDVAL-UHFFFAOYSA-N 433.464 2.437 0 40 IEAB biogenic CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCn1nc(C)cc1C 12975184 MVVADHZWGMGLPT-QGZVFWFLSA-N 442.582 2.246 0 40 IEAB O=C(OCCOc1ccccc1F)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 13138345 JNPJLDFMSAVEDM-UHFFFAOYSA-N 427.425 2.222 0 40 IEAB COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](CC(N)=O)N[C@]12C(=O)Nc1ccc(C)cc12 13592458 QAPVSEKWRKZZQZ-QCPUYCGNSA-N 442.903 2.297 0 40 IEAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(C(=O)OCC)CC1 13775402 AUIGDAOROGSAES-UHFFFAOYSA-N 432.477 2.066 0 40 IEAB CC[C@]1(C)NC(=O)N(NC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)C1=O 14067020 CVPKZYFNAYQCEJ-IBGZPJMESA-N 445.526 2.247 0 40 IEAB COc1ccc([C@H]2CCCN2C(=O)CNC2=NS(=O)(=O)c3ccccc32)c(OC)c1 15829757 CRAIGHOABPLTJN-QGZVFWFLSA-N 429.498 2.106 0 40 IEAB Cc1ccc2cc(C)c3nn(CCNC(=O)[C@@H]4CSC(c5ccncc5)=N4)c(=O)n3c2c1 19234280 SMZABUGNZYZOMR-SFHVURJKSA-N 446.536 2.339 0 40 IEAB O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19348119 SZHGINGLXVLUIE-OAQYLSRUSA-N 440.519 2.352 0 40 IEAB CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 20614318 DGDOPJPVICAXSV-HXUWFJFHSA-N 438.528 2.021 0 40 IEAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1=O 21650934 VXNSWXNKPFQMIH-HSZRJFAPSA-N 438.484 2.193 0 40 IEAB CCOc1ccc(OCCNC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1 23994930 AKVJQPQXSPJZQN-HSZRJFAPSA-N 441.484 2.056 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1 24262861 WJJRFFUKAZKUPG-UHFFFAOYSA-N 444.465 2.493 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)CC1 26113917 LIBKKXUYSWOCNA-UHFFFAOYSA-N 437.543 2.488 0 40 IEAB COC(=O)[C@H](CCSC)NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 32103242 WMPMNVPGWKAXKQ-RISCZKNCSA-N 429.336 2.213 0 40 IEAB CC(C)(C)OC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O 32855822 VRNWUOGXZQJGRD-UHFFFAOYSA-N 427.523 2.420 0 40 IEAB C[C@]12C=C[C@@]3(O1)[C@@H](C(=O)NC1CCCC1)N(C1CC1)C(=O)[C@@H]3[C@@H]2C(=O)NC1CCCCC1 35314558 LIOIFRWOLUNKAC-NDMKLLEPSA-N 441.572 2.197 0 40 IEAB Cc1ccc(-n2nc(C)c(C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)n2)c(C)c1 35349081 DCBWDUCAEQLMNV-UHFFFAOYSA-N 438.576 2.353 0 40 IEAB CC[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1nc(-c2ccccc2)c[nH]1 58246761 SREUUHVVYVIQGP-AWEZNQCLSA-N 425.470 2.036 0 40 IEAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)C1 58331646 NPEFKOXRXZZMCU-WBVHZDCISA-N 425.551 2.026 0 40 IEAB O=C(c1cccc(S(=O)(=O)NCC2CC2)c1)N(CCN1CCOCC1)c1ccccc1 58439739 VPAJPTMVTZBIMC-UHFFFAOYSA-N 443.569 2.354 0 40 IEAB CC(C)C(=O)N1CC[C@@H](NC(=O)CCc2ncc(-c3ccc(S(C)(=O)=O)cc3)o2)C1 95966163 HKIFHHRFZAFKMF-MRXNPFEDSA-N 433.530 2.051 0 40 IEAB CCc1cnc(N2CCC3(CC2)O[C@@H](C(=O)Nc2cccnc2C)Cn2ccnc23)nc1 96243879 OBKXPIWNZGVTEV-LJQANCHMSA-N 433.516 2.472 0 40 IEAB CCN1CC[C@@]2(CN(CCOC)CC23CCN(C(=O)Cc2cccc(F)c2)CC3)C1=O 96262797 GBDFFXIMPPQMMQ-XMMPIXPASA-N 431.552 2.178 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@H]32)cc1 101169615 KKZLDFGOINJPSF-SJORKVTESA-N 431.811 2.420 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3cc(C)cc(C)c3)C(=O)[C@H]21 101352890 XLOVKIKKBWMGFL-UXHICEINSA-N 449.467 2.412 0 40 IEAB Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1nccs1 102439848 HMDPTVAYSHGQSZ-GJZGRUSLSA-N 427.482 2.228 0 40 IEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 103125967 BKXIMGJBZKOEQP-GASCZTMLSA-N 437.477 2.294 0 40 IEAB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1 138771704 GTTYFCKTFJYOID-INIZCTEOSA-N 443.456 2.475 0 40 IEAB C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 222738509 BRJDFRZYFSPOJH-GOSISDBHSA-N 435.590 2.302 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)s1 223108456 HWQIAJSBXWJZRC-GFCCVEGCSA-N 426.520 2.476 0 40 IEAB COc1ccc(-c2noc(CNC(=O)CN(Cc3ccc(C)cc3)S(C)(=O)=O)n2)cc1 223426055 BQGJEQPGFBQRRX-UHFFFAOYSA-N 444.513 2.132 0 40 IEAB COC(=O)c1cn(C2CN(C(=O)c3cn(C4CC4)c4cc(Cl)c(F)cc4c3=O)C2)nn1 500487974 GPIRKMNBNBUXBJ-UHFFFAOYSA-N 445.838 2.204 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCn3cc(C(=O)NCc4ccccn4)nc3[C@H]2C)cc1 585096409 MQIWOCVFIRSKLQ-MRXNPFEDSA-N 425.514 2.282 0 40 IEAB COc1cc(C)c(S(=O)(=O)N(C)C2CN(c3ccc4nnc(C5CC5)n4n3)C2)cc1C 1565519456 OZLRLMWSDSWYNL-UHFFFAOYSA-N 442.545 2.136 0 40 IEAB COc1ccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(C)(=O)=O)cc1 800534 BVSKWQZLXFPAIO-UHFFFAOYSA-N 437.949 2.463 0 40 IEAB COC(=O)C1CCN(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)CC1 3306172 RDHKVUIKFCQQSW-UHFFFAOYSA-N 433.892 2.462 0 40 IEAB CCCCN(C(=O)CN1c2ccccc2C[C@H]1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 3537007 CPEUYXNZZPPZMC-MRXNPFEDSA-N 427.549 2.359 0 40 IEAB O=C(N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)OCc1ccccc1 5706760 BNRIKQJCFUGCTI-PMACEKPBSA-N 426.469 2.008 0 40 IEAB O=C1N[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1Cc1cccnc1 6303529 OCZCQNVKXVTVFC-OAHLLOKOSA-N 448.810 2.024 0 40 IEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCC(C(=O)N2CCCCCC2)CC1 6987500 SIZWEAWOZWFDFF-UHFFFAOYSA-N 432.565 2.272 0 40 IEAB COc1ccc(CCNC(=O)[C@H]2[C@@H]3C(=O)N(c4ccccc4)C[C@]34C=C[C@H]2O4)cc1OC 9304544 FOSYIVZCKGXOGG-PTGPVQHPSA-N 434.492 2.349 0 40 IEAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 9634358 PDURWMFQAPEECV-XJKSGUPXSA-N 430.404 2.190 0 40 IEAB O=C(CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21)Nc1ccc2c(c1)OCO2 9674610 SHSNGYSNCAQDKC-SJORKVTESA-N 427.804 2.001 0 40 IEAB CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691756 USWKMVUNMKVHGY-BREBYQMCSA-N 427.242 2.398 0 40 IEAB O=C(Cc1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12568189 WXGGEGUXCZUKLG-UHFFFAOYSA-N 442.537 2.022 0 40 IEAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12618421 WDVAUTGILOWCDW-HNNXBMFYSA-N 444.944 2.305 0 40 IEAB CNC(=O)c1cccc(NC(=O)/C=C/c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)c1 13040125 BSZCGBNONOXPJF-PKNBQFBNSA-N 431.514 2.393 0 40 IEAB CCOc1ccc(OCCC(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 13101717 BRNOSBVHCPJVDW-CQSZACIVSA-N 436.486 2.072 0 40 IEAB COc1ccc(-c2nc(CC(=O)NCc3ccc(S(N)(=O)=O)cc3)cs2)cc1OC 13608477 KCSQYDDJDXHIOB-UHFFFAOYSA-N 447.538 2.334 0 40 IEAB CN(Cc1ccco1)C(=O)CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 14167769 LMBXQTQLGPKVNH-UHFFFAOYSA-N 441.919 2.260 0 40 IEAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(C)c1 17960532 KQBZKERRVBWMJS-KRWDZBQOSA-N 437.496 2.491 0 40 IEAB CCN1CCN(C(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)CC1 19527829 VJMOVVPUSWGESP-UHFFFAOYSA-N 431.558 2.363 0 40 IEAB COc1ccc([C@H]2N(C(=O)c3cnc4ccccn4c3=O)CCC[C@]23CCC(=O)N3)cc1 19557433 WMFZONPAVLHJTE-QPPBQGQZSA-N 432.480 2.329 0 40 IEAB CCOC(=O)C1CCN([C@H](c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697817 HMFJMHYAVAPOMR-OAQYLSRUSA-N 429.517 2.268 0 40 IEAB COc1ccc(NC(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)c(OC)c1 23135166 PYWMUSQPGXKVSZ-UHFFFAOYSA-N 441.467 2.168 0 40 IEAB COc1ccc2[nH]c(=O)c([C@H]3c4cc(OC)c(OC)cc4CCN3S(C)(=O)=O)cc2c1 35314699 FHTSQDJLIZQRRS-OAQYLSRUSA-N 444.509 2.461 0 40 IEAB O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 36385127 AGEXIINFSWOKAG-OAQYLSRUSA-N 436.512 2.201 0 40 IEAB CN1CCN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@H](CNC(=O)OC(C)(C)C)C1 79076051 XZARIVRHRJKGDL-QGZVFWFLSA-N 433.509 2.316 0 40 IEAB CCN1C(=O)[C@H]2CN(CC(C)C)C[C@H]2C12CCN(S(=O)(=O)c1ccc(F)cc1)CC2 96143604 QLQYNMTYSYXGQJ-VQTJNVASSA-N 437.581 2.415 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCCSc1ncn[nH]1 222864785 DYSPPYQULZVSAH-UHFFFAOYSA-N 445.570 2.124 0 40 IEAB O=S(=O)(Cc1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224387304 BMUSEIKHHZBPFY-UHFFFAOYSA-N 438.571 2.360 0 40 IEAB COc1cc(C=NNC(=O)C2CCN(C[C@@H](O)COCc3ccccc3)CC2)ccc1O 254874405 XLXGJVDIRXBJDZ-OAQYLSRUSA-N 441.528 2.141 0 40 IEAB O=C(NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1)c1n[nH]c2c1CCC2 257312112 UMONYMPTWBIOJQ-WRALFONMSA-N 438.572 2.202 0 40 IEAB Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)c1 408661401 VROGEQKISZIOFP-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCCN3CCOCC3)c2)CC1 408702576 MQDUHFNEMFIAOJ-UHFFFAOYSA-N 443.997 2.213 0 40 IEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 575425244 RXPPNLLXNZZCIB-HNNXBMFYSA-N 428.919 2.058 0 40 IEAB Cc1nc(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCN(C)C3=O)C2)co1 643556812 PUAUWJCQAYOYIC-QHCPKHFHSA-N 427.501 2.458 0 40 IEAB O=C(O)COCCOC(=O)COCCOc1ccc2c(=O)c(-c3ccccc3)coc2c1 725400944 SEVRMLMOWRYJDR-UHFFFAOYSA-N 442.420 2.500 0 40 IEAB O=C(c1cccc2ccccc12)N1CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 1117327471 BBSVVFVALPSSPD-HXUWFJFHSA-N 426.538 2.339 0 40 IEAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(c2ncc(Br)cn2)CC1 1888879283 VONDHPNIVGZIDM-UHFFFAOYSA-N 436.335 2.289 0 40 IEAB CC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1 6631774 RYWVSKAIVPFAEF-HNNXBMFYSA-N 445.545 2.317 0 40 IEAB Nc1nc(COC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)nc2ccccc12 8707748 RTQZFUHGVLBMEM-UHFFFAOYSA-N 444.488 2.495 0 40 IEAB C[C@H](Sc1ccc(S(=O)(=O)N2CCCC2)cn1)C(=O)NCc1ccc2c(c1)OCO2 8720654 REEIXGUUDCWEFY-AWEZNQCLSA-N 449.554 2.392 0 40 IEAB CCN(CC)CCn1c(C)c(C)n2c3c(=O)n(Cc4cccc(C)c4)c(=O)n(C)c3nc12 8725145 NVAWZEFFIMQTCT-UHFFFAOYSA-N 436.560 2.465 0 40 IEAB O=C1CSc2ccc(C(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc2N1 9384523 VENBOLYMNVVAPM-MDWZMJQESA-N 443.550 2.489 0 40 IEAB COc1cc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2N)cc(OC)c1 9459580 HQVQFPBHTJWNPJ-UHFFFAOYSA-N 445.501 2.424 0 40 IEAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)[C@@H]1C 9562450 GHIZWWXABHWRDW-RKVPGOIHSA-N 438.546 2.274 0 40 IEAB Cc1ccc(S(=O)(=O)CC(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc1 9629681 LAGSVIJGLXLIIJ-UHFFFAOYSA-N 435.571 2.334 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1OC 9824027 IPOUNBPEJMYCBX-UHFFFAOYSA-N 445.483 2.190 0 40 IEAB COc1ccc(N(CCCC(=O)NCCCN2CCCC2)S(C)(=O)=O)cc1Cl 10450178 XBBWCPFOEAOCNI-UHFFFAOYSA-N 431.986 2.497 0 40 IEAB COCCn1c(=O)c2c(nc(-n3nc(C)c(C)c3C)n2Cc2cccc(C)c2)n(C)c1=O 11613327 RYAUBGWRRHOZLK-UHFFFAOYSA-N 436.516 2.011 0 40 IEAB CCOC(=O)c1ccc2c(c1)SC1=N[C@@](C(=O)OC)(C(F)(F)F)N=C(N(C)C)N12 12411140 MSYFBKRZMZTREY-INIZCTEOSA-N 430.408 2.494 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 12783054 QSSGUEUMMMTNEJ-OAHLLOKOSA-N 442.497 2.321 0 40 IEAB COc1cccc(/C=C/C(=O)OCC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 12972771 LAEJBDYOIPYHIC-CFGKVWFZSA-N 443.521 2.468 0 40 IEAB O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 14116054 PORORRWPRFICPN-UHFFFAOYSA-N 431.905 2.067 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)c1 14201431 YKTBMWIXZWHHNY-HLLBOEOZSA-N 438.546 2.279 0 40 IEAB O=C1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c2ccccc2N1 14422764 JIAFLJAEVVNSIV-HNNXBMFYSA-N 433.917 2.299 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNC(=O)Cc1cccc2ccccc12 14804348 OIGGJQMJOMGTDX-UHFFFAOYSA-N 439.537 2.065 0 40 IEAB COc1cc(C(=O)NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc(OC)c1OC 16031148 AIVKMXQXXMVVJY-DZGCQCFKSA-N 443.525 2.008 0 40 IEAB biogenic COc1ccccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1=O 16870221 CUOYISUBNOLRDP-DOTOQJQBSA-N 439.468 2.006 0 40 IEAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1F 16995147 OOEQLEFIKLOYTK-LFVRLGFBSA-N 439.443 2.398 0 40 IEAB N=C1NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(F)cc3)cc2)S1 17096416 YZJQRUFPUAURMV-INIZCTEOSA-N 429.429 2.360 0 40 IEAB Cc1ncc(CN2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)c3ccccc3F)C4)C2)cn1 19287201 DUZOQIWFXSPFPH-QGZVFWFLSA-N 448.502 2.195 0 40 IEAB O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2nnnn2-c2ccccc2)CC1 23135022 UNQQUDGBBDUXLT-UHFFFAOYSA-N 434.525 2.322 0 40 IEAB COCCNS(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)nc2)ccc1OC 25064636 MHCCSVZJFALXLF-UHFFFAOYSA-N 448.545 2.258 0 40 IEAB Cn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)nnc1C(F)(F)F 28082742 BBNRWMWKWTUKQI-UHFFFAOYSA-N 431.396 2.436 0 40 IEAB COC(=O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(OC)c(OC)c1 48312914 KTHPFTGECVKZMV-MSOLQXFVSA-N 447.532 2.352 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2sccc21)NC1CCCC1 57428253 YRSRDCKWMHOYMZ-UHFFFAOYSA-N 427.482 2.061 0 40 IEAB CCOC(=O)c1sc2ncc(S(=O)(=O)N3CCN(c4ncccn4)CC3)cc2c1C 58325518 SEFKWIJIWNFREM-UHFFFAOYSA-N 447.542 2.082 0 40 IEAB COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)N3CCCCC3)c2cc1OC 71279554 GVKSLJALECFRDB-UHFFFAOYSA-N 437.496 2.241 0 40 IEAB COc1cccc(N2CCN(C(=O)Cn3nc(-c4ccccc4OC)ccc3=O)CC2)c1 95474638 OTXUKGARATZBJJ-UHFFFAOYSA-N 434.496 2.276 0 40 IEAB NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 95941400 TWHVQNKFGBEJOT-HUUCEWRRSA-N 428.455 2.114 0 40 IEAB C[C@H](CC(=O)N1CCOCC1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 97102069 UKKQWMGTMZPXAD-MRXNPFEDSA-N 433.940 2.145 0 40 IEAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@@](O)(c4ccccc4)C4CC4)cc1c32 101329264 SMNVDSOEOJBOJG-SGANQWHYSA-N 433.508 2.435 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)O[C@@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 169342757 IBVMBBMYHBTRJM-FBSOPKPWSA-N 432.517 2.306 0 40 IEAB CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2C(C)(C)[C@H]31 238950520 YMLJWSIWMJJMGD-JXMPTKIVSA-N 436.555 2.165 0 40 IEAB CC(C)C[C@H]1CN(C(=O)c2ccc(=O)n(CC(N)=O)c2)CC[C@H]1Nc1cccc(F)c1 257344849 ZYWRGIXIHRWSDO-FXAWDEMLSA-N 428.508 2.462 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCOCC2)c2cccc(C)c2)cc1 408604763 IDFRBJFQXAVYNJ-UHFFFAOYSA-N 445.585 2.337 0 40 IEAB CCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCCOC)S(C)(=O)=O 409264200 PSFQWDFMQVWBQP-UHFFFAOYSA-N 433.530 2.030 0 40 IEAB O=C(Cc1ccccn1)N1CCO[C@@]2(C1)C(=O)N(CC1CCOCC1)C[C@H]2c1ccccc1 585106952 LVJCIGDAXAUHOC-JYFHCDHNSA-N 449.551 2.274 0 40 IEAB O=C(NCC1CCCCC1)c1nnc2n1CCN1CCN(C(=O)Cc3ccccc3)C[C@@H]21 585109888 HUNVJDWKYWWONE-FQEVSTJZSA-N 436.560 2.030 0 40 IEAB Cc1ncn(CC(=O)N2CCC(Cn3nc(-c4ccccc4)ccc3=O)CC2)c(=O)c1C 585147525 CQHJFSRYLFHVBK-UHFFFAOYSA-N 433.512 2.023 0 40 IEAB CSCC[C@@H](NC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1)c1nc(C)no1 1547139705 YFTYCKPJBDWLCW-CQSZACIVSA-N 437.518 2.394 0 40 IEAB biogenic CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3ccnc(C(F)(F)F)c3)C2)cc1 1775974895 VVRDYEWMNSFFDL-UHFFFAOYSA-N 429.420 2.254 0 40 IEAB COCCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc2c1=O 3493617 VCPUFVGTHSTZHH-UHFFFAOYSA-N 427.482 2.180 0 40 IEAB O=C(O)c1ccc2c(c1)OCCOCCOc1cc(C(=O)O)ccc1OCCOCCO2 4258047 BFKSDRWCIVPRSO-UHFFFAOYSA-N 448.424 2.345 0 40 IEAB CCC[C@]1(C(=O)OCC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 4355120 PWHHLLSJOAWOAM-ORQYLMBXSA-N 448.516 2.080 0 40 IEAB CCOc1ccc(N[C@H](C(=O)OC)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 9313628 JNPXFWJTGPULOG-FQEVSTJZSA-N 434.514 2.432 0 40 IEAB COC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 9467647 SWSGQUWTNHXRQB-UHFFFAOYSA-N 433.305 2.214 0 40 IEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CNS(=O)(=O)c1ccc2ccccc2c1 9963241 VGJWPPOCOOICII-GOSISDBHSA-N 426.494 2.417 0 40 IEAB COc1ccc(S(=O)(=O)NCCC(=O)N2CCC[C@H](c3n[nH]c4ncccc34)C2)cc1 12221391 URJQAYGBGUXXEB-HNNXBMFYSA-N 443.529 2.041 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)NC(=O)N[C@@H]1C 12696675 QGTJGGVFBYUGRF-RXMQYKEDSA-N 437.667 2.299 0 40 IEAB O=C(CN1CCN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC1)Nc1cccc(F)c1 12818210 BMSFIIRNYGPMPU-UHFFFAOYSA-N 446.910 2.382 0 40 IEAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(C)c(S(=O)(=O)N(C)C)c3)CC2=O)c1 12871925 AVBQSWVIBLZGBR-OAHLLOKOSA-N 431.514 2.246 0 40 IEAB COc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 13036806 FBTQYTQWXIEKIF-UHFFFAOYSA-N 429.484 2.110 0 40 IEAB Cc1csc2nc(COC(=O)CCNS(=O)(=O)c3ccc(Cl)cc3)cc(=O)n12 13040600 BRNVXJBENQACEN-UHFFFAOYSA-N 441.918 2.130 0 40 IEAB Cc1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc1F 15823726 HSHVQANLMRAQJI-UHFFFAOYSA-N 446.548 2.243 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(SCc3ccc(-n4cccn4)cc3)nc2)CC1 16047366 NAOIIBKQMSEROJ-UHFFFAOYSA-N 429.571 2.496 0 40 IEAB CSc1ccc([C@H]2N=C3NCN(N4CCN(C)CC4)CN3c3nc4ccccc4n32)cc1 19172409 JBXBAODMLLSXJK-NRFANRHFSA-N 448.600 2.464 0 40 IEAB O=C(CN1CC2(CCC(N3CCOCC3)CC2)Oc2ccccc2C1=O)N1CC=CCC1 19374593 CRAZNXXQEAWDPM-UHFFFAOYSA-N 439.556 2.323 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)Cc3ccc(OC)cc3)C1)C2=O 19699923 JSYLCFNSQYWTCH-IBGZPJMESA-N 442.560 2.025 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)C1CCN(C(C)C)CC1)CC2 19710284 MBWBECIQQWRKCO-UHFFFAOYSA-N 442.608 2.249 0 40 IEAB COc1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2cc(F)ccc2OC)cc1OC 20015923 WCQKZPNIYDSFAG-ZDUSSCGKSA-N 440.493 2.349 0 40 IEAB COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 20024992 VSFIREQDCVABOP-HNNXBMFYSA-N 434.514 2.216 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccccc2OC(F)F)CC1 22239361 WMMRIKGSEWJCHU-UHFFFAOYSA-N 429.445 2.430 0 40 IEAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22512486 QVIASPVJSJROGS-HUUCEWRRSA-N 434.514 2.498 0 40 IEAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 22928703 OCEQLKTXWBAPGM-DEOSSOPVSA-N 436.556 2.151 0 40 IEAB COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c1OC 22990050 KIQYYCWDSKMMPQ-QPJJXVBHSA-N 430.442 2.183 0 40 IEAB Cc1ccc2nc(COC(=O)CN3C(=O)N[C@]4(C[C@@H](C)CC(C)(C)C4)C3=O)cc(=O)n2c1 23623979 GYCBXVRWEDZTNJ-WNSKOXEYSA-N 440.500 2.183 0 40 IEAB CC(C)NC(=O)CNC(=O)c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O 27134042 GHMAGGSEEZSNEQ-UHFFFAOYSA-N 426.926 2.076 0 40 IEAB COc1ncccc1CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 32787222 XCTUWOLXLQKROD-UHFFFAOYSA-N 425.457 2.086 0 40 IEAB NC(=O)c1cnc(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 40149434 MFLVXBAAGFJALC-UHFFFAOYSA-N 448.854 2.364 0 40 IEAB O=S1(=O)CC[C@@H](N(Cc2ccc(S(=O)(=O)N3CCCC3)o2)Cc2cccs2)C1 48288522 BLXGKQQAWUBGCH-OAHLLOKOSA-N 444.600 2.315 0 40 IEAB O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)N1CCCCC1 56949775 APTRTIZNNXGURU-UHFFFAOYSA-N 429.492 2.492 0 40 IEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 58161305 URRPWSQDBBMZFO-ZGUWOUCSSA-N 443.525 2.361 0 40 IEAB O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96124000 NQMSSLNRILMWRN-HXUWFJFHSA-N 446.559 2.055 0 40 IEAB COC(=O)CN1C(=O)N/C(=C/c2cccc(OC)c2OCc2cccc(C(=O)O)c2)C1=O 107624480 TWKGKEKBUQRDIO-MHWRWJLKSA-N 440.408 2.038 0 40 IEAB Cc1cccc(-c2noc(CNS(=O)(=O)c3nnc(NC(=O)C(C)(C)C)s3)n2)c1 223248024 NDWVOMWMSPPXCJ-UHFFFAOYSA-N 436.519 2.360 0 40 IEAB COc1ccc(-c2nnc(NS(=O)(=O)c3nnc(NC(=O)C(C)C)s3)s2)cc1 225818144 QVBRRJRYUXRTLL-UHFFFAOYSA-N 440.532 2.461 0 40 IEAB O=C(CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1)NC1CCCC1 245174497 YPPMORWGAXAPAC-UHFFFAOYSA-N 434.540 2.112 0 40 IEAB Cc1nc(C2CCN(S(C)(=O)=O)CC2)cc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1 257248787 JFEOXDGKRYWMCK-SFHVURJKSA-N 430.530 2.492 0 40 IEAB N[C@@H](CO)C(=O)N1CCOCCOc2ccc(-c3cccnc3)cc2Cc2cccc(c2)C1 643560926 MZXQIGRCNYLRRB-DEOSSOPVSA-N 447.535 2.397 0 40 IEAB Nn1c(SCC(=O)NC(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCCC3 2181065 RPTMGWBNEDBJFT-UHFFFAOYSA-N 429.527 2.491 0 40 IEAB Cn1c(=O)c2sccc2n2c(CCCC(=O)NCc3ccc4c(c3)OCO4)nnc12 4077293 FNEYOVJTIOMZIP-UHFFFAOYSA-N 425.470 2.011 0 40 IEAB COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(OC)c(OC)c3)=C2)cc1 9290026 CWAYDDYERJEKHI-UHFFFAOYSA-N 431.470 2.214 0 40 IEAB O=C1CCC(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)=NN1 9593872 XSNRRRQWNRQXBC-INIZCTEOSA-N 428.832 2.420 0 40 IEAB COc1cc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc(OC)n1 11765812 XFIJTVOIYDLTJJ-UHFFFAOYSA-N 432.424 2.024 0 40 IEAB CCOc1ccccc1N1CCN(Cc2ccc(C(=O)NC[C@@H]3CCCO3)c(=O)[nH]2)CC1 12150368 LYEAOMCJDMRMKT-IBGZPJMESA-N 440.544 2.005 0 40 IEAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3)n(N)c2=O)cc1 12348187 QTBFPQHSHKCMCM-UHFFFAOYSA-N 441.513 2.081 0 40 IEAB COc1ccc(Cn2c(=O)c(N3CCOCC3)nc3cc4c(cc32)OCCO4)cc1F 12786068 SCIOWUSFFWYNIG-UHFFFAOYSA-N 427.432 2.200 0 40 IEAB CCN(C(=O)COC(=O)/C=C/c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 12816499 VUAYECABXNFFOQ-LFAOLKIESA-N 430.320 2.041 0 40 IEAB CC(C)NC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1nccs1 13501778 VOWDHOBDSSMZSW-UHFFFAOYSA-N 432.502 2.144 0 40 IEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(C)c1ccc(F)cc12 13557690 MHAULFVECXBDFO-HSZRJFAPSA-N 436.395 2.320 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 15664390 LIUVULNLSWICFK-UHFFFAOYSA-N 442.522 2.426 0 40 IEAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCN1C(=O)NC2(CCCCC2)C1=O 15765263 XSMBQWZBYGKXLF-UHFFFAOYSA-N 440.422 2.146 0 40 IEAB CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1 17752008 OVTYVAITORPHKQ-XSDIEEQYSA-N 429.432 2.209 0 40 IEAB COCCN1C[C@H](c2cc(N(C)C)nc(C3CCN(Cc4cccnc4)CC3)n2)CC1=O 19696482 HOZKWXRBTXFXIB-HXUWFJFHSA-N 438.576 2.280 0 40 IEAB CN1C[C@H](c2cc(N(C)C)nc(C3CCN(S(=O)(=O)c4ccccc4)CC3)n2)CC1=O 19697347 ZKPYMBMLQBFCMK-QGZVFWFLSA-N 443.573 2.057 0 40 IEAB CC[C@@H](NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22327679 KEMMNXGZMLVHJV-LJQANCHMSA-N 438.571 2.432 0 40 IEAB Cc1ccc(C)c(OC[C@@H](O)CN2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1C 22933871 JCWNZKMOPSFPPX-FQEVSTJZSA-N 436.556 2.406 0 40 IEAB CCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)c1 23263220 HRWPFHVEFUSYNJ-UHFFFAOYSA-N 430.482 2.299 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 33164687 FIQXKSACKVTMCZ-QGZVFWFLSA-N 445.541 2.102 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)N1CCN(c3ccccc3F)CC1)O2 38851385 AYSDFCDBIICOPY-FQEVSTJZSA-N 433.505 2.010 0 40 IEAB Cc1nnc2ccc(S(=O)(=O)N(CC(=O)OC(C)(C)C)c3ccc4c(c3)OCO4)cn12 49408402 SSDQKSSLUVZXMN-UHFFFAOYSA-N 446.485 2.303 0 40 IEAB O=S(=O)(c1ccc(Br)s1)N1CC(c2nc(-c3cnccn3)no2)C1 49484940 IZXFNMXLMGBQBH-UHFFFAOYSA-N 428.293 2.139 0 40 IEAB COC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 69121421 QDKFTEUFXAHSII-UHFFFAOYSA-N 438.889 2.400 0 40 IEAB NC(=O)c1ccc(NC(=O)Cn2nc(N3CCC(Cc4ccccc4)CC3)ccc2=O)cc1 71284051 WZCVSQIGHCHRLF-UHFFFAOYSA-N 445.523 2.440 0 40 IEAB COc1ncc(C2(O)CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)c(OC)n1 72337541 SHTXYWPCHNPMFS-UHFFFAOYSA-N 428.420 2.412 0 40 IEAB Cn1c(=O)n(C)c2cc(C(=O)Nc3cccnc3-n3cc(Br)cn3)ccc21 72404532 JLKAYHWYBUONSS-UHFFFAOYSA-N 427.262 2.473 0 40 IEAB CN1C(=O)NC2(CCN(C(=O)c3cc(Cl)ccc3I)CC2)C1=O 89374635 PIXYAMBLYZJMJY-UHFFFAOYSA-N 447.660 2.101 0 40 IEAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CC[C@@]3(C)CCC(=O)N3)CC2)cc1 95456808 SOQYDVXZUVQZRF-HTAPYJJXSA-N 435.590 2.482 0 40 IEAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1OC 95463843 HZMXAKWIMJYDJB-MRXNPFEDSA-N 428.420 2.429 0 40 IEAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CCN(CCc2ccccn2)CC1 95472678 XEYPNJDUWCDNTK-IBGZPJMESA-N 439.951 2.282 0 40 IEAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)o1 107873666 SVJORBRWPCKBQP-CXUHLZMHSA-N 427.438 2.493 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219718088 JHSZHGWTWBGUTQ-UHFFFAOYSA-N 433.530 2.102 0 40 IEAB CCOc1cccc(N(CC(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 225002116 WBSFOULUMLTQRS-UHFFFAOYSA-N 433.530 2.327 0 40 IEAB Cc1cc(N2CCC(CNC(=O)C(=O)Nc3cc4c5c(c3)CC(=O)N5CCC4)CC2)ccn1 253403149 PJSBCNJDARDHAC-UHFFFAOYSA-N 447.539 2.197 0 40 IEAB CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)C2=NNC(=O)CC2)CC1 257313275 URQCGMNITGPVNC-UHFFFAOYSA-N 447.539 2.302 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)CC2=O)cc1 408657275 OTHPBRSBVCNFLX-HNNXBMFYSA-N 425.441 2.188 0 40 IEAB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]12 504808413 MEAVPTKGSWSXIY-FDGPYGQJSA-N 433.464 2.039 0 40 IEAB biogenic COc1cccc(C(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)n1 585286657 PWWBECHDMWFKNO-NRFANRHFSA-N 433.892 2.218 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(C)cc1 628943 PLIWXMXWUGNHBS-RZXXJPOTSA-N 448.500 2.445 0 40 IEAB Cc1ccc(NC(=O)Cn2c(=O)c(N3CCCC3)c(N)n(Cc3ccccc3)c2=O)cc1C 3278350 PFDPPDBKQOJVLF-UHFFFAOYSA-N 447.539 2.496 0 40 IEAB COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)cc1OC 3593504 HSCZUHZGSNOIAT-NRFANRHFSA-N 431.876 2.441 0 40 IEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@@H](C)C(=O)O)CC1 8790201 OBTZKGKFJMXNSU-OTBWCIGPSA-N 441.569 2.438 0 40 IEAB biogenic CN(C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)[C@H]1CCS(=O)(=O)C1 9128143 IPZHYYDUDRHGAZ-ZDUSSCGKSA-N 449.579 2.389 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2cc3nc(C)c(C)c(O)n3n2)CC1 12161679 KLQUNFQHIYQHNK-GOSISDBHSA-N 449.577 2.167 0 40 IEAB C[C@]12CN(S(=O)(=O)c3ccc(Cl)s3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2 12231825 IJEAVFVBXDJXOU-GTNSWQLSSA-N 425.919 2.163 0 40 IEAB CN(C)c1nc2c(c(N3CCN(c4ncccn4)CC3)n1)CCN(Cc1ccccc1)C2 12325759 AIPHNIMUZVPVPK-UHFFFAOYSA-N 430.560 2.218 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3c4ccccc4CC[C@@H]3C)CC2)cc1 12609472 DMHWKEXMOYFJGO-SFHVURJKSA-N 443.569 2.369 0 40 IEAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1-n1cnnn1 12639102 GFESCHQRXCGUBB-UHFFFAOYSA-N 426.502 2.010 0 40 IEAB CN(Cc1ccc(Cl)cc1Cl)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12790228 WNMYEGYLWXHNGB-CYBMUJFWSA-N 432.329 2.117 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCc4ccccc43)c2)CC1 12911281 ZBUWNXYBKMRRBP-QFIPXVFZSA-N 441.553 2.299 0 40 IEAB CC[C@@H](OC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)cc1 12994104 UYOSZCRQBILZIR-MLGOLLRUSA-N 433.461 2.213 0 40 IEAB Cn1nnc2c(N3CCN(C(=O)C4c5ccccc5Oc5ccccc54)CC3)ncnc21 13532800 AMTDAAHJBZODBL-UHFFFAOYSA-N 427.468 2.345 0 40 IEAB CC[C@H](C(=O)Nc1ccccc1C(=O)NCCOC)N(c1ccccc1)S(C)(=O)=O 13685891 RKQZPFNAMHJMCF-LJQANCHMSA-N 433.530 2.246 0 40 IEAB COc1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1S(=O)(=O)NC1CC1 14093330 ZBDVYWTZVDFYPT-LJQANCHMSA-N 429.542 2.140 0 40 IEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 14233020 KWPSOMIBYTUBIE-MZNJEOGPSA-N 435.480 2.068 0 40 IEAB O=C(c1ccccc1F)N1CCc2c(nc([C@H]3CCN(Cc4cccnc4)C3)[nH]c2=O)C1 19347697 KXGSNQFBLMTAOF-KRWDZBQOSA-N 433.487 2.492 0 40 IEAB O=C(CN1C(=O)COc2ccccc21)N(CCCN1CCOCC1)C[C@@H]1CC=CCC1 19375603 ADJPJCMXRYGGMU-HXUWFJFHSA-N 427.545 2.319 0 40 IEAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)c1ccc3c(c1)OCCO3)C2 19708614 RDNMONXLBJGZOF-GOSISDBHSA-N 437.500 2.171 0 40 IEAB Cc1nn(CC(C)C)cc1S(=O)(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(C)C(=O)CC2 19741927 SSQPVJPWIZZOQK-KRWDZBQOSA-N 446.577 2.381 0 40 IEAB Cc1nccn1C[C@H]1CCCN(C(=O)Cn2cccc(C(=O)NC3CCCCC3)c2=O)C1 19750665 YMDHJGHEYRUZBC-LJQANCHMSA-N 439.560 2.355 0 40 IEAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2S(=O)(=O)c2cnn(C)c2C)n1 19766671 SHSOHAJWEKXVMW-SFHVURJKSA-N 446.577 2.415 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(OC)c(OC)c1 19818074 GSEOROMSUQVCRU-SFTDATJTSA-N 437.496 2.468 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)cc1Cl 20016199 GRJAGYNYOAQNPR-LBPRGKRZSA-N 442.921 2.349 0 40 IEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@@H](C)C(=O)NC(=O)NCc2ccccc2)c1 21620589 ITZDKFNCYCLNBF-ZDUSSCGKSA-N 440.456 2.175 0 40 IEAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 22232517 ZVMRDXVHPRWCQM-FQEVSTJZSA-N 436.505 2.466 0 40 IEAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCCc1ccccc1 22249237 ITTOYYDNCPRSAG-UHFFFAOYSA-N 438.933 2.099 0 40 IEAB Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23141960 AMWKPILANOERBW-UHFFFAOYSA-N 432.524 2.238 0 40 IEAB Cc1ccc(-n2ncc(C(=O)NC3CCN(S(C)(=O)=O)CC3)c2C(F)(F)F)cc1 36394852 RTKJJODWNONDIG-UHFFFAOYSA-N 430.452 2.353 0 40 IEAB COc1ccc(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)cc1 52518736 PABBRNAWFLFQBD-JOCHJYFZSA-N 441.553 2.134 0 40 IEAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)C1 58331645 NPEFKOXRXZZMCU-DOTOQJQBSA-N 425.551 2.026 0 40 IEAB CCN1C(=O)c2ccccc2C(=O)[C@@]2(C)CN(S(=O)(=O)c3ccc(OC)cc3)C[C@@H]12 72395484 DJZFCMPMQOUQLE-KNQAVFIVSA-N 428.510 2.433 0 40 IEAB COc1ccc(C(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)nc1I 89927852 YKYZQRUGDPCVLH-GHMZBOCLSA-N 431.274 2.214 0 40 IEAB CC(=O)N1CCc2nc3cc(C4CCN(C(=O)C5[C@@H]6CCCC[C@@H]56)CC4)nn3c(O)c2C1 100243039 NKZLXCGRYDIFNM-IAGOWNOFSA-N 437.544 2.482 0 40 IEAB COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc(C)ccc21 100876025 SNMSPPQTNOKUEL-MRCUWXFGSA-N 447.538 2.176 0 40 IEAB COc1ccc(-c2nnc(SCc3cc(=O)n4ncnc4[nH]3)n2C[C@@H]2CCCO2)cc1 102807705 DCTPDWIIWXSRQB-INIZCTEOSA-N 439.501 2.156 0 40 IEAB COc1cccc(OCCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)c1 225155379 LLMOSOKWMRTJNR-UHFFFAOYSA-N 434.499 2.156 0 40 IEAB Cn1ccc2cc([C@@H](O)CNS(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)ccc21 240122580 WDKGPXPSZGSSNB-FQEVSTJZSA-N 425.510 2.026 0 40 IEAB CC(C)c1nc2cc(C(=O)N3CC[C@H](n4cnc5c(N)ncnc54)[C@@](C)(O)C3)ccc2[nH]1 257203566 AQRMVOSYNIUQOT-AOMKIAJQSA-N 434.504 2.246 0 40 IEAB COc1ccc(S(=O)(=O)NC(=O)c2cnc(N3CCc4ccccc4C3)nc2C)cc1 257220972 DNAOCMROMOTCHJ-UHFFFAOYSA-N 438.509 2.475 0 40 IEAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2CCCN21 504491895 GYKFICCLCYUNRY-UBPTVHNVSA-N 431.448 2.155 0 40 IEAB biogenic COc1cccc(C2(NC(=O)[C@H]3CN(Cc4nc(O)c5ccccc5n4)CCO3)CC2)c1 553234620 BFHGDGZCFGPMMC-HXUWFJFHSA-N 434.496 2.350 0 40 IEAB COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC 932352 LWGNYHJEVPSDKA-UHFFFAOYSA-N 428.474 2.369 0 40 IEAB Cc1ccc(S(=O)(=O)NCCSCCNS(=O)(=O)c2ccc(C)cc2)cc1 1632252 XTANFPBRKRLUDZ-UHFFFAOYSA-N 428.601 2.293 0 40 IEAB biogenic Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1Cc1ccc(Br)cc1F 2689549 OSLJXWQGUMGJRD-UHFFFAOYSA-N 448.252 2.469 0 40 IEAB CCOC(=O)CSC1=Nc2ccccc2C2=N[C@H](CC(=O)NCc3ccco3)C(=O)N12 2967859 SHOBZTAHZZVPAG-MRXNPFEDSA-N 440.481 2.241 0 40 IEAB Cc1cc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(C)n1Cc1ccco1 3502229 QCXAYGLFHOGVDF-UHFFFAOYSA-N 435.436 2.176 0 40 IEAB O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)c2ccc(F)cc2)C1)c1cnccn1 4258922 OBBANRYYDJDFJZ-GOEBONIOSA-N 433.443 2.289 0 40 IEAB biogenic,in-vitro Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c3ccccc3)ccc12 4534299 HYJIKHYBLDRPMG-GOSISDBHSA-N 435.484 2.102 0 40 IEAB in-vitro C[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CC1 8791594 VMPZSFLGZUGSIO-DLQQFWPKSA-N 428.492 2.421 0 40 IEAB biogenic Cc1cccc(OCC(=O)NCCn2ncc3c(=O)n(Cc4cccc(F)c4)cnc32)c1 9016702 PESBASZPEPYNAT-UHFFFAOYSA-N 435.459 2.284 0 40 IEAB O=C(c1ccccc1)N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 9317169 KJGINSVNDNOOIW-NRFANRHFSA-N 441.553 2.214 0 40 IEAB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Cl)c1OS(C)(=O)=O 9424513 ZJMIEUPFNRSPRT-OQLLNIDSSA-N 436.898 2.457 0 40 IEAB Cc1cc(C)cc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(F)c(F)c2F)c1 9633830 AVVGZJGOXPGUFU-UHFFFAOYSA-N 430.404 2.181 0 40 IEAB NC(=O)c1nn(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)c(=O)c2ccccc12 9816329 AIOVRKNUYCONGI-UHFFFAOYSA-N 431.452 2.043 0 40 IEAB O=C(CSc1nnnn1C1CCCC1)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 9821545 GYJSKPDEIXSQLX-AWEZNQCLSA-N 441.604 2.158 0 40 IEAB CCCn1c(N)c(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(=O)[nH]c1=O 9871399 NGBPHZBIKQXUEU-UHFFFAOYSA-N 446.558 2.083 0 40 IEAB COc1ccc(CCN[C@@H](CC(=O)Nc2ccc(NC(C)=O)cc2)C(=O)O)cc1OC 10186410 RCTZGUIVUNMNRX-SFHVURJKSA-N 429.473 2.276 0 40 IEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11066026 MXDYBMNQCSRSQW-UHFFFAOYSA-N 439.491 2.485 0 40 IEAB C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)C1=O 11904895 XQXDTYWULXBOTF-LBPRGKRZSA-N 428.919 2.131 0 40 IEAB COCc1ccc(C(=O)N2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)o1 12133336 HHGBVICIVZUSLJ-UHFFFAOYSA-N 448.545 2.240 0 40 IEAB COC(=O)c1sccc1NC(=O)CN1CCCN(Cc2ccccc2C)S1(=O)=O 12415919 BJFZAJDVTBYDHU-UHFFFAOYSA-N 437.543 2.234 0 40 IEAB COc1cc(NC(=O)Cc2csc(NC(=O)c3ccc(=O)[nH]c3)n2)cc(OC)c1OC 12440094 XNOBTYCBQKFZIU-UHFFFAOYSA-N 444.469 2.291 0 40 IEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 13146301 YXSUIYRYHPOHSZ-RTBURBONSA-N 445.541 2.141 0 40 IEAB CC1(C)O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]3(C)[C@@]2(C(=O)CO)O1 13704509 YNDXUCZADRHECN-VPEZLUFBSA-N 434.504 2.419 0 40 IEAB O=C(c1cccc(N2CCCC2=O)c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 14231466 VXCWUZZSDZGPJB-UHFFFAOYSA-N 427.526 2.101 0 40 IEAB COC(=O)C[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccc(OC)c(OC)c1 19080185 TZBYBHWNVAVMEN-ZDUSSCGKSA-N 437.499 2.291 0 40 IEAB Cc1cc(C)n2ncc(C(=O)N3CCC(c4cc5nc(N(C)C)ncc5c(O)n4)CC3)c2n1 19116531 LGBWXXDUARCAOH-UHFFFAOYSA-N 446.515 2.476 0 40 IEAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19400059 ZIBIZVQQCSKWFW-QGZVFWFLSA-N 435.509 2.402 0 40 IEAB COCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)[nH]c(=O)c2C1 19593206 HSJIKIQBOOFLHJ-KRWDZBQOSA-N 428.508 2.210 0 40 IEAB CNc1nc([C@H]2CCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)nc2c1CN(C)CC2 19710466 BQHHKSRTMIYGBD-SFHVURJKSA-N 448.571 2.258 0 40 IEAB COCCN1C(=O)N=C(O)[C@@]2(Cc3ccccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O 20567649 XNAGHJADFQNGEY-BWKNWUBXSA-N 448.523 2.485 0 40 IEAB CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 21511078 ALYZKYVSPCTMLO-UHFFFAOYSA-N 435.546 2.102 0 40 IEAB O=C(CSc1nnc(Cn2ccc(=O)[nH]c2=O)o1)Nc1ccc(Cl)cc1Cl 21704497 KKKQBQWZAAJYSL-UHFFFAOYSA-N 428.257 2.006 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 22228323 LDUOGEHJBMNYJO-KRWDZBQOSA-N 431.558 2.253 0 40 IEAB COc1ccc(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cc1 22250113 ONGMVYGKRVIYOO-UHFFFAOYSA-N 440.905 2.387 0 40 IEAB CN(CCCNC(=O)c1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Br)o1 22471444 BQFQHBZRABCVGA-UHFFFAOYSA-N 433.262 2.171 0 40 IEAB CS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 23115445 TYEGORRKGNWWIC-UHFFFAOYSA-N 433.555 2.333 0 40 IEAB Cc1ccc(-n2nnnc2CN2CCN(C(=O)C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1 23134682 LRPLREBCXDCQOG-UHFFFAOYSA-N 443.511 2.288 0 40 IEAB CC(C)(C)NC(=O)[C@H]1N(C2CC2)C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@@]12O3 35314715 IBMQHRGDYFQPOV-ZOCZBOFGSA-N 429.561 2.053 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 35877135 DDRMJOXRZHIKBO-GXNBUGAJSA-N 432.318 2.474 0 40 IEAB COC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c2c(C)cccc2n1C 35889692 LYXSQONNDSHWLO-UHFFFAOYSA-N 438.484 2.263 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)N(Cc1ccccc1F)C1CC1 36386781 UARITQRTCDHNHL-UHFFFAOYSA-N 437.562 2.385 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 36386849 IBACISKUXZXGMT-HXUWFJFHSA-N 446.573 2.352 0 40 IEAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 40145702 LEZZPJLCZHFUTM-SFHVURJKSA-N 435.550 2.140 0 40 IEAB C[C@H](O)[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCC(=O)N(C)Cc1ccsc1 48366103 PMHOUTAKUMVZNQ-APPDUMDISA-N 442.896 2.222 0 40 IEAB Cc1nc(COc2ccc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2)cs1 57331637 WRBIIAGHKDKEBF-UHFFFAOYSA-N 428.558 2.411 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4ccc(=O)[nH]n4)c3)CC2=O)cc1OC 58113698 BJNAKTDDYUJUNT-HNNXBMFYSA-N 434.452 2.446 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)N[C@@H](C)CCc1cccn1C 78947235 NUOLPONAYJSOGD-KBXCAEBGSA-N 449.602 2.470 0 40 IEAB O=C(NCC1CCN(C(=O)c2cccnc2)CC1)c1ccccc1S(=O)(=O)C(F)F 96120510 MVRKLFDVWRTVHQ-UHFFFAOYSA-N 437.468 2.360 0 40 IEAB Cc1c(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 113968229 OESNVGSBFDNTQY-HNNXBMFYSA-N 446.504 2.417 0 40 IEAB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc4c(c3)OCCO4)n2)c(OC)c1 223765737 NIMDADCESRTXIX-UHFFFAOYSA-N 447.469 2.346 0 40 IEAB Cc1ccc(NC(=O)C(=O)NCC2CCN([C@@H]3CCSC3)CC2)cc1N1CCCC1=O 225575959 XYKDMRDZPBJHFH-LJQANCHMSA-N 444.601 2.394 0 40 IEAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238825926 DTAUETMWBPFTPR-GFCCVEGCSA-N 447.344 2.407 0 40 IEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)N[C@@H]1CN3CCC1CC3)NC2=O 247946131 JZPKEUKJIURZGC-VTMXZCIOSA-N 425.529 2.160 0 40 IEAB Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1 408656655 NTOSUEPRNKMFIS-AWEZNQCLSA-N 429.860 2.324 0 40 IEAB Cc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1 409412349 UVWCJJHDNUIQOM-KRWDZBQOSA-N 445.541 2.261 0 40 IEAB C[C@@H]1C[C@H](NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)C[C@@H](c2ccccc2)C1 1561648884 WJDXTTAVFGPBTC-BPUTZDHNSA-N 428.514 2.285 0 40 IEAB Cc1cc(N2C[C@H]3CN(C(=O)Cc4ccc(S(=O)(=O)C(C)C)cc4)C[C@H]3C2)ncn1 1775975533 JMBOONBNFBGDLD-KDURUIRLSA-N 428.558 2.104 0 40 IEAB Cn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(Br)c1C(F)(F)F 2774896 KFDLBBXKDPSYSO-UHFFFAOYSA-N 435.200 2.393 0 40 IEAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1F 3531223 ALNIUYMFAZLYMC-CYBMUJFWSA-N 426.539 2.136 0 40 IEAB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc3c(c2)OCO3)n2nc(CCCO)nc2N1 6144562 FRHXMTVIQTZFQE-HXUWFJFHSA-N 434.456 2.254 0 40 IEAB CCn1c(SCC(=O)N2CCc3ccccc3C2)nc2cc(S(N)(=O)=O)ccc21 8725599 VNBAIHHHVORRFO-UHFFFAOYSA-N 430.555 2.381 0 40 IEAB Cc1c(C)c2ccc(O[C@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2oc1=O 9452396 UXWDLUDEVQAADP-CQSZACIVSA-N 430.482 2.141 0 40 IEAB Cc1cc(C)n2nc(C(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3C)nc2n1 9714669 ACIRSJGEHITREG-UHFFFAOYSA-N 428.518 2.476 0 40 IEAB COc1cc(CNC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc(OC)c1OC 9888116 NCVJLSDDJJOJMV-ZDUSSCGKSA-N 434.514 2.353 0 40 IEAB COc1ccc(C)cc1NS(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C 11906440 AFWDDBGNYRHFGF-UHFFFAOYSA-N 438.527 2.488 0 40 IEAB CCOC(=O)N1CCN(C(=O)Nc2nc(CC(=O)NCc3cccs3)cs2)CC1 12160359 CGRIZTTVFIYSBR-UHFFFAOYSA-N 437.547 2.370 0 40 IEAB COC(=O)C1=C(Cn2ccc(C(F)(F)F)n2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 12371252 AXBVQMHZURIHOA-MRXNPFEDSA-N 440.378 2.400 0 40 IEAB COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCn2ccc3ccccc32)c(F)c1 12431748 NWFZKAYGTHRESR-QFIPXVFZSA-N 438.503 2.296 0 40 IEAB Cc1ccccc1-n1nnnc1SCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 13253752 XJBJWDRTZCJFJH-QGZVFWFLSA-N 436.497 2.356 0 40 IEAB COc1ccc(C(=O)CN2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 13635442 BKASSDBRQNXSSX-UHFFFAOYSA-N 428.485 2.362 0 40 IEAB COc1ccc(C(=O)NCCN2CCn3cc(OCc4ccccc4)c(=O)cc3C2=O)cc1 16850541 IYWZYYVLVMWMFE-UHFFFAOYSA-N 447.491 2.322 0 40 IEAB CCN(C(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O)[C@H]1CCS(=O)(=O)C1 17130482 DNNMLNCYEUVTGQ-INIZCTEOSA-N 445.566 2.469 0 40 IEAB COCCNC(=O)[C@@H]1CN(Cc2cccc(OC)c2)C[C@H]1c1ccnc(N2CCCC2)n1 19593506 FOQAQWHWRBLUIE-NHCUHLMSSA-N 439.560 2.064 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)C2 19739719 LSFLJCAHYYQHLC-OAQYLSRUSA-N 449.555 2.497 0 40 IEAB Nc1nc(N2CCOCC2)nc2c1[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N2 19819949 OWWCRDLWSSAUKI-JTQLQIEISA-N 437.287 2.267 0 40 IEAB CN1CCN([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccc(F)cc2)CC1 22795707 ZANYYTAFXAKBMX-FQEVSTJZSA-N 432.927 2.200 0 40 IEAB O=C1C(=O)N(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2ccc(F)cc21 23818007 LJADFKNFYFNVIF-UHFFFAOYSA-N 425.416 2.392 0 40 IEAB C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)C1=O 25605745 FFNMZLGFTIHHIH-HSZRJFAPSA-N 435.436 2.259 0 40 IEAB O=C(NCCCn1cccn1)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 30166459 JKBVQJZRBLRKHM-UHFFFAOYSA-N 441.351 2.250 0 40 IEAB COc1ccccc1-c1noc(CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)n1 32895042 ZSISCXRDSXEYJT-CYBMUJFWSA-N 444.517 2.226 0 40 IEAB CCC(=O)N1CCC[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)C1 40146516 JGYPWPLCXVBILL-INIZCTEOSA-N 437.562 2.457 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 41157390 WDEZJAKRNITIMU-UXHICEINSA-N 444.553 2.447 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)NCC1CCN(C(=O)/C=C/c2ccco2)CC1 43960645 JPUBEEPXXCYDGB-SNAWJCMRSA-N 438.527 2.358 0 40 IEAB Cc1oc(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)cc1S(=O)(=O)N1CCCC1 65521009 LQRPQOCRSZOXDK-GFCCVEGCSA-N 433.486 2.194 0 40 IEAB CC(C)[C@@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1nnc2n1CCC2 72271450 OHIWDJYOCJRTOC-OAQYLSRUSA-N 425.533 2.355 0 40 IEAB O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCN(CC(F)(F)F)C1 95393016 XBLHPOKGRVCKIA-QGZVFWFLSA-N 426.483 2.116 0 40 IEAB Cn1c(CNC(=O)COc2cccc(NC(=O)c3ccco3)c2)nc2ccccc2c1=O 95467317 UAEFNTZHSQSSOO-UHFFFAOYSA-N 432.436 2.474 0 40 IEAB C[C@H]1CN(c2ccccc2NC(=O)NC[C@H]([C@H]2CCOC2)N2CCOCC2)C[C@@H](C)O1 106103879 LUFGJCYDKIZVBV-LMVRJCEZSA-N 432.565 2.159 0 40 IEAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CN1CCN(S(=O)(=O)c2ccccc2)CC1 195541275 VXYHEQRLQJPEOZ-JAXLGGSGSA-N 434.602 2.363 0 40 IEAB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-n2cnnc2)c1C 223715466 MZJXLXNRQXRMCW-UXHICEINSA-N 439.545 2.329 0 40 IEAB Cc1cccc(C)c1N(CC(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O 224549871 PWARSKIMSGZXPU-UHFFFAOYSA-N 445.585 2.218 0 40 IEAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1 224958014 CUWCXECDRWVOPP-UHFFFAOYSA-N 425.536 2.463 0 40 IEAB O=C(CN1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1)Nc1nc2ccc(F)cc2s1 257211136 BXQTXHWQTQONDC-HZPDHXFCSA-N 431.445 2.196 0 40 IEAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2OCC(=O)OC)C1=O 409230916 GYAMYITZKCFHKW-LDADJPATSA-N 437.452 2.332 0 40 IEAB CN(C)[C@@H](CNC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1)c1ccsc1 518417015 MMSYTKWLFWQCEJ-ZBFHGGJFSA-N 442.632 2.422 0 40 IEAB COc1ccc2nnc(CCC(=O)N3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)n2n1 604404749 JXYHSMYKZZLOLR-LYXWCMDISA-N 436.560 2.487 0 40 IEAB biogenic Cc1ncc(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)c(C)n1 643555948 GXRBCEOLGCYMAL-DEOSSOPVSA-N 438.528 2.226 0 40 IEAB CC(=O)N1CCN(c2cc(-c3noc(-c4ccc(N5CCNC5=O)c(C)c4)n3)ccn2)CC1 680703181 UTYVEQDSHULMHS-UHFFFAOYSA-N 447.499 2.305 0 40 IEAB Cn1ncc2c1ncn1nc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc21 2803789 VLFGFQNGGODMDL-UHFFFAOYSA-N 431.909 2.233 0 40 IEAB CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3cc(OC)c(OC)cc3C1)C2=O 8503488 KCRUGXPPCCRGAP-UHFFFAOYSA-N 429.517 2.479 0 40 IEAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCC[C@H]1CO 8791296 FGJCXWZVEVSKAH-SVJMLJPDSA-N 445.585 2.159 0 40 IEAB biogenic CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(Br)cc1)C1=C(COC1=O)N2 9169296 NUWBBLZZHAFBEB-CYBMUJFWSA-N 432.274 2.468 0 40 IEAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@]2(CCc3ccccc32)C1=O 9209016 RMCPMPJZQIQLSS-UPCLLVRISA-N 434.496 2.244 0 40 IEAB O=C(Cn1nnc(-c2ccccc2Cl)n1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 9218968 WORYHEHQGLOZLB-MRXNPFEDSA-N 445.932 2.209 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)Cc1c[nH]c2ccccc12 9591722 HXJQOYQUZVMWQG-UHFFFAOYSA-N 429.498 2.451 0 40 IEAB CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc1ccc(F)c(F)c1F)C2=O 10055454 XBEYQQUAIQIVDR-IMKMIKCMSA-N 441.406 2.475 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCC(NC(=O)c2ccccc2)CC1 10588787 ASLNOGKZFHVADJ-UHFFFAOYSA-N 444.557 2.041 0 40 IEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)CC(=O)N1CCN(c2ccccc2)CC1 10810420 YDMDBNVNXVVHQO-LJQANCHMSA-N 449.555 2.031 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 11615787 ITFMRKATSRWQQC-UHFFFAOYSA-N 442.515 2.225 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCc1ccc(C)cc1 13676096 BVBBRLAXGXVXQQ-UHFFFAOYSA-N 432.542 2.387 0 40 IEAB c1cncc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)c1 19340793 LHPZLTLAVBFSDY-QGZVFWFLSA-N 443.515 2.426 0 40 IEAB O=C(NCc1ncc[nH]1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 19372473 MPPXFBKTOBXWFV-PMACEKPBSA-N 431.544 2.332 0 40 IEAB C[C@@H](CN1CCOCC1)C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1 19456304 QRCZFYHVOQAFOD-SFHVURJKSA-N 443.567 2.275 0 40 IEAB CCn1cc(S(=O)(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)cn1 19525017 GWRNZQTUQPFPOI-UHFFFAOYSA-N 449.558 2.451 0 40 IEAB NC(=O)C1CCN(C(=O)CN2CCO[C@@H](c3ccc(-c4cccc(Cl)c4)cn3)C2)CC1 19692530 SPLROQYPETTYSJ-OAQYLSRUSA-N 442.947 2.499 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCO[C@@H](c2cc(C(=O)N(C)C)c3ccccc3n2)C1 19762284 ATRFCQSRASQDKC-LJQANCHMSA-N 443.529 2.039 0 40 IEAB CCOC(=O)c1ccc(OC[C@@H](O)CSc2ccc(S(=O)(=O)N(C)C)cn2)cc1 22133179 WUEMTUVCHOOLSP-OAHLLOKOSA-N 440.543 2.041 0 40 IEAB COc1ccc(Cl)cc1C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 27914927 YBLOGPXLAPKZOR-UHFFFAOYSA-N 437.905 2.042 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CSc1cccs1 31605427 VNNXDKDGDZLUFM-UHFFFAOYSA-N 444.556 2.281 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)n(C)c1 32843334 PTXYBQMEIKMCTL-UHFFFAOYSA-N 442.497 2.446 0 40 IEAB C=CCOc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)OC)C2=O)cc1OCC 33575528 XRKNDWXRNFOOBO-MDWZMJQESA-N 439.262 2.478 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 33584732 RUSSQDPHBHUGNV-QQFZQELXSA-N 442.946 2.412 0 40 IEAB CC(C)(C)NC(=O)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 35289254 SVPYAQHFZPSIIE-UHFFFAOYSA-N 425.485 2.340 0 40 IEAB COc1ccc(OC)c(CN2CCN(C(=O)c3sccc3NS(C)(=O)=O)CC2)c1 40135228 PEELDEBYHPSUAO-UHFFFAOYSA-N 439.559 2.095 0 40 IEAB COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccc5c(c4)OCCO5)n3)CC2)c1 54146989 JEJQPYZNVQEXEH-UHFFFAOYSA-N 449.515 2.299 0 40 IEAB COC(=O)C1CCN(C(=O)C2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)CC1 61717597 BCDXVKUBIWULIH-UHFFFAOYSA-N 448.527 2.419 0 40 IEAB C[C@@](O)(CNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)C(F)(F)F 89901225 PCXIGRKGCNEPTK-QGZVFWFLSA-N 427.404 2.291 0 40 IEAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)c2ccccc2C)CC3)C1=O 96144434 MJHCQPFSUDBRBP-XMMPIXPASA-N 426.561 2.453 0 40 IEAB COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O 108632863 RMKSXXTZNIRZBB-SFHVURJKSA-N 437.496 2.296 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCCC[C@@H]4C)nc(=O)c32)c1 139105422 UNBVIWNQHDZGSZ-GXTWGEPZSA-N 441.488 2.230 0 40 IEAB COc1ccc(CNC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c(OC)c1OC 219720366 JJYFDDXUKFTEMB-UHFFFAOYSA-N 436.530 2.430 0 40 IEAB CSc1nnc(NS(=O)(=O)c2nnc(NC(=O)c3cccc(C)c3)s2)s1 224628105 GPRIAXAWNFMEPR-UHFFFAOYSA-N 428.546 2.473 0 40 IEAB CCOC(=O)c1ccc(C)c(N(CC(=O)OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 224903800 HVWBYUPEDWHDAQ-UHFFFAOYSA-N 448.497 2.498 0 40 IEAB CC(=O)Nc1ncc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)s1 238856248 JZCHKNKYEDBLSU-OAHLLOKOSA-N 429.570 2.439 0 40 IEAB Cc1nonc1CNC(=O)C[C@@H]1CCCN(C(=O)c2ccc(Cn3ccnc3C)cc2)C1 257297531 RHRUOOKACYIWDA-IBGZPJMESA-N 436.516 2.490 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 260828746 CTZHSYBLIPNGIN-KSFYIVLOSA-N 444.509 2.484 0 40 IEAB Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)c1 408656649 NSZVDNATNXJPCI-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB NS(=O)(=O)c1ccc(NC2=NC(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)S2)cc1 1797020 VNDMFXSXFPVNGL-AWEZNQCLSA-N 438.918 2.426 0 40 IEAB CC(=O)N[C@H]1C(=O)N=C(SCC(=O)N[C@@H](C)c2ccccc2)N(c2ccccc2)C1=O 2769762 VAXZPDMUADBGJV-LIRRHRJNSA-N 438.509 2.031 0 40 IEAB Cn1nc(C(F)(F)F)c(Br)c1C(=O)N1CCN(C(=O)c2ccco2)CC1 2774898 GBTLOSYNLZINRE-UHFFFAOYSA-N 435.200 2.393 0 40 IEAB CCOCCn1c(=O)c2c(nc3n(-c4ccc(Br)cc4)c(C)cn23)n(C)c1=O 8708906 VIXVZVWIPDPBRI-UHFFFAOYSA-N 446.305 2.246 0 40 IEAB O=C(CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)NCc1ccccc1 9418754 IDKYWFXALSIBBQ-GOSISDBHSA-N 447.532 2.049 0 40 IEAB O=C(NCCO)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 9434732 GNXIRVUGZMFDAJ-DHDCSXOGSA-N 433.258 2.057 0 40 IEAB COc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CC2)c1 9507100 NPWSGIWZYCEIGR-UHFFFAOYSA-N 429.542 2.442 0 40 IEAB O=C(NCCc1ccccc1)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1 9747027 XDOFQSPGSBVJSH-GOSISDBHSA-N 449.598 2.157 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1 10060247 KGNUPMVRPOCKSG-UHFFFAOYSA-N 425.532 2.341 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)CC1 11091213 AFVDBDDNEGFYOB-SFHVURJKSA-N 449.529 2.065 0 40 IEAB CCCCn1c(=O)c(CCC(=O)OCC(=O)NC(=O)NC2CCCC2)nc2ccccc21 11589976 MVAGEKQDJBHZLY-UHFFFAOYSA-N 442.516 2.441 0 40 IEAB COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1NS(C)(=O)=O 12553335 UBNDQCLSOCRJHI-SFHVURJKSA-N 433.486 2.437 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(CC(=O)Nc1ccc(F)cc1)C2 19710687 XZUIFDLHEBSRPB-UHFFFAOYSA-N 440.523 2.380 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)Cc1csc(C)n1)CC2 19711390 OVFUKJRFAFTECA-UHFFFAOYSA-N 428.562 2.137 0 40 IEAB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 19952817 YYCJBNVHOXUEQT-YDZHTSKRSA-N 438.465 2.125 0 40 IEAB Cc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)N3CCN(c4ccc(F)cc4)CC3)=C2)cc1 20366882 BQGUSSLKMTVMPB-UHFFFAOYSA-N 442.516 2.346 0 40 IEAB COc1ccc(CCCNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC 22362652 IMOSCTUAZXTMKC-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)CC1 26535026 GPRLVMHQHNAPQG-UHFFFAOYSA-N 448.372 2.118 0 40 IEAB COc1cc2nc(CN3Cc4c(OC)ccc(OC)c4[C@@H](O)C3)[nH]c(=O)c2cc1OC 32836282 CUQYUYLZMDIPJK-HNNXBMFYSA-N 427.457 2.007 0 40 IEAB COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N=C3O)cc2OC)cc1 35128508 OWMQVJNKWLJOAJ-UHFFFAOYSA-N 425.397 2.311 0 40 IEAB CC[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C12CC3CC(CC(C3)C1)C2 36063217 IEFIMDFKBGXOHF-JXUFBKJOSA-N 435.590 2.263 0 40 IEAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[nH]c(=O)c32)c(OC)c1 40390419 WHNKOTOSKMIKOE-JSGCOSHPSA-N 441.488 2.230 0 40 IEAB COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)Oc3ccccc3)CC2)cc1 43941948 WTDLLTDLSATDBG-UHFFFAOYSA-N 439.468 2.439 0 40 IEAB COC(=O)c1cccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)c1 49405799 HHKFAIXFWMXOID-UHFFFAOYSA-N 433.468 2.089 0 40 IEAB CCOC(=O)c1ccc(N2CCN(C(=O)NCCc3cccc(OC)c3OC)CC2)nc1 58162860 YATWGRRPGQQEBO-UHFFFAOYSA-N 442.516 2.350 0 40 IEAB Cc1ccc(C)c(C(=O)N2CCN(S(=O)(=O)c3cn(C)nc3-c3ccncc3)CC2)c1 72389873 ONZMCHKFJRRFKR-UHFFFAOYSA-N 439.541 2.246 0 40 IEAB Cc1nnc(SCC(=O)N2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)o1 72394238 AFDPDQHJZYLZBA-LLVKDONJSA-N 430.939 2.328 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 89791107 IXERNJUYDSSTFF-CQSZACIVSA-N 436.964 2.210 0 40 IEAB O=C(NCC1CCN([C@H]2CCSC2)CC1)C(=O)Nc1cccc(N2CCCCC2=O)c1 225576006 XRYVCFFGRUDIGZ-FQEVSTJZSA-N 444.601 2.476 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ncn[nH]2)Cc2ccccc2)cc1 225998704 VPGOLZSPLSENGY-UHFFFAOYSA-N 445.570 2.213 0 40 IEAB Cc1nc(C(=O)N2C[C@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cs1 306131875 KRTMBZBVUGUIHP-XXBNENTESA-N 449.536 2.279 0 40 IEAB CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3c(OC)cccc3OC)CC2)CC1 409023829 RHXSZOCXOGQYQH-UHFFFAOYSA-N 432.517 2.358 0 40 IEAB COc1cc2c(cc1OC)[C@@H](NC(=O)C[C@@H]1NC(=O)N(CCc3ccccc3)C1=O)CC2 524730406 IDLGGVIRAQLFJE-OALUTQOASA-N 437.496 2.361 0 40 IEAB biogenic N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@H]1CCCCC1(CO)CO 1570005767 PDINSSDFNDEVOC-VABKMULXSA-N 438.568 2.014 0 40 IEAB C[C@]1(c2cccc(CNC(=O)NC[C@@H](O)c3cccc4ccccc34)c2)NC(=O)NC1=O 1630834799 SMQYVCHOPRJTBL-HYBUGGRVSA-N 432.480 2.427 0 40 IEAB COc1ccc(CCNC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1OC 2952327 QRLQVSVZFCCKHR-UHFFFAOYSA-N 425.485 2.236 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3C(=O)O)c(=O)n2[C@@H]1c1ccccc1 3768546 SNMJAWMFIGXXHC-MTGKDYNDSA-N 448.500 2.497 0 40 IEAB c1ccc(Cn2nnc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc32)cc1 4400775 FKKAMXNRHZMICI-UHFFFAOYSA-N 429.484 2.321 0 40 IEAB Cn1c(=O)c2sccc2n2c(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)nnc12 8592245 DERQULQVZXJOGM-UHFFFAOYSA-N 440.504 2.063 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)cc1 9056324 XYTUSIQFRXGMNM-SFHVURJKSA-N 444.582 2.440 0 40 IEAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4ccccc4Cl)c(C)cn23)n(C)c1=O 9297097 XENQHWCFFXJWEG-UHFFFAOYSA-N 429.864 2.054 0 40 IEAB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C1/C[C@H](c2ccc3c(c2)OCO3)NN1 9348382 OYYJVRXXXKTNCU-CLBVAXQTSA-N 426.816 2.145 0 40 IEAB COc1cccc(-n2nnc3c(N4CCN(C(=O)c5cccc(F)c5)CC4)ncnc32)c1 9850793 FNMZFTGCICDMBO-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 9882756 WHGKBIKBKADPEG-VIFPVBQESA-N 430.515 2.136 0 40 IEAB CCn1c(=O)n(CCC(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c2ccccc21 10729360 QOSTYWZWOALLMD-UHFFFAOYSA-N 433.472 2.467 0 40 IEAB Cn1c(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc2c1=O 12785922 XFJKTHJFKSKLKM-UHFFFAOYSA-N 440.525 2.289 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nnn(-c4cccc(C)c4)c3=S)CC2)cc1 14249862 CILOHMSQCKQABE-UHFFFAOYSA-N 444.586 2.379 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)CCOc2ccc(F)cc2)CC1 16173856 RQTRBMFXNUQWHE-UHFFFAOYSA-N 439.509 2.369 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nnc(NC2CC2)s1 22174693 HDIAPDPZWKGDBR-UHFFFAOYSA-N 443.576 2.102 0 40 IEAB O=C(CN1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1)NCc1ccccc1 22285665 HNGAJQNSJXAATL-UHFFFAOYSA-N 431.540 2.266 0 40 IEAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCCCN1CCN(C)CC1 22822214 OXUMXEKHHGLALM-UHFFFAOYSA-N 430.574 2.163 0 40 IEAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@](C)(c3ccccc3)C1=O)O[C@@H](C)C2 23819945 QJSZTEYUZMWEIV-IZHWHUGBSA-N 437.496 2.492 0 40 IEAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 27538872 FFOCXXRQYFKYBM-JLTOFOAXSA-N 431.439 2.276 0 40 IEAB CC1CCN(Cc2ccc(CNC(=O)Cn3nnn(-c4cccs4)c3=O)cc2)CC1 29358707 HVLVQLWIRLIJOT-UHFFFAOYSA-N 426.546 2.039 0 40 IEAB C[C@H](NC(=O)c1ccc2c(=O)[nH]c(=O)n(C)c2n1)c1cccc(NC(=O)c2ccccc2)c1 32739881 IVNQRKDYYGXGKS-AWEZNQCLSA-N 443.463 2.365 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 35388309 FDVNSNUWWNXMQE-JOCHJYFZSA-N 443.569 2.365 0 40 IEAB C[C@@H](C(=O)NCCc1cccs1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 35392534 RAULGINVEJGPMM-KRWDZBQOSA-N 447.626 2.291 0 40 IEAB Cc1onc(-c2cccnc2)c1C(=O)N1CCC(c2nnsc2S(C)(=O)=O)CC1 57742404 UDNUXQWPENBXKL-UHFFFAOYSA-N 433.515 2.320 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1cccc(OC)c1 67287087 AQDJXLMENCYMTF-UZLBHIALSA-N 445.516 2.141 0 40 IEAB CS[C@@H](C)C(=O)NC1CCC(NC(=O)C2CCN(C(=O)[C@H](C)SC)CC2)CC1 72306375 GKJXMGWZGMDAHY-JCAIJIATSA-N 429.652 2.272 0 40 IEAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCc1cc(Cl)c2c(c1)OCCO2 95956176 VVWRLLGAQRIQAS-HFTRVMKXSA-N 439.965 2.496 0 40 IEAB O=C(NC1(C(=O)NCCc2cccnc2)CCN(Cc2ccccc2)CC1)C(F)(F)F 95997749 SFDBJIWKQQFEJC-UHFFFAOYSA-N 434.462 2.454 0 40 IEAB Cc1cc(C)cc(N(Cc2ccc(C(=O)NCCN3CCOCC3)cc2)S(C)(=O)=O)c1 222386701 DUOZVDAWYTWRDT-UHFFFAOYSA-N 445.585 2.332 0 40 IEAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C[C@@H]2CCCO2)N1CCN1CCOCC1 223134633 TXGIRZJFADEZMU-NYVOZVTQSA-N 441.601 2.367 0 40 IEAB COc1ccc(OC)c(N(CC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)c1 223656254 FGARVDGLVJRURD-UHFFFAOYSA-N 426.922 2.482 0 40 IEAB CC(C)CCn1cnc2ccc(NC(=O)Cn3c(O)nc4ccccc4c3=O)cc2c1=O 524733054 PFRQEZIGXBLESI-UHFFFAOYSA-N 433.468 2.497 0 40 IEAB O=C(C1CN(c2cc(-n3ccnc3)ncn2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 575607092 AHWZSORNYSECEF-UHFFFAOYSA-N 441.898 2.240 0 40 IEAB CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1)CC2 607711502 LBGSWALFZQOQKG-UHFFFAOYSA-N 444.513 2.105 0 40 IEAB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 8988602 SQFFHNOXICFWIF-UHFFFAOYSA-N 428.489 2.467 0 40 IEAB Cc1cc(C)n2nc(CC(=O)N[C@@H]3C[C@@]4(CCC(=O)N(C)CC4)Oc4ccccc43)nc2n1 12086435 FTJOQJLRXNNXKI-KOSHJBKYSA-N 448.527 2.305 0 40 IEAB CCOc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)ccc1OCC(N)=O 12275574 JHLQYFXDYHIAOP-QGZVFWFLSA-N 438.532 2.262 0 40 IEAB O=C1NC(=O)c2cc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)ccc21 12466482 DQBOZFDVOOBMIA-GFCCVEGCSA-N 439.902 2.077 0 40 IEAB COc1ccccc1CN(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 12628658 QYRAJHYROXGNFS-UHFFFAOYSA-N 444.557 2.423 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Cn2cnc3ccccc3c2=O)cc1 12771692 IVGQEBULEZYICO-MRXNPFEDSA-N 442.541 2.304 0 40 IEAB CC[S@@](=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12807283 JZDQWHVKTNFCBU-LJAQVGFWSA-N 446.594 2.450 0 40 IEAB COc1cc(OC)cc(OC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 13112356 IIXSKDWRELHXLG-UHFFFAOYSA-N 430.482 2.470 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C(C)C)C(C)C)CC2)c1 15025978 MCCLJBUZAUWAQA-KRWDZBQOSA-N 441.594 2.044 0 40 IEAB CCOC(=O)C1CCN(C(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)CC1 15858355 CWGDKJRDBKPIGT-LBPRGKRZSA-N 442.921 2.068 0 40 IEAB Cc1ccc(C)c(N2N=C(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)CCC2=O)c1 16050835 SBZQCPGPPOIZTE-UHFFFAOYSA-N 437.452 2.375 0 40 IEAB COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(N)=O)=C(C)N=3)cc1 16740771 PGLRQFWMFZLKLV-OXRZLYTFSA-N 439.924 2.383 0 40 IEAB Cn1cc(-c2cccnc2)c(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)n1 19290263 HGDHKSAMRMWYJJ-UHFFFAOYSA-N 431.562 2.285 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3F)CC1)C2=O 19699357 RJEZWSUGVMATJQ-UHFFFAOYSA-N 430.524 2.156 0 40 IEAB Cc1cc(C)n2ncc(C(=O)N3CCO[C@H](c4c(C(N)=O)sc5ncccc45)C3)c2n1 19702893 LGSOTTDKWSDYPP-HNNXBMFYSA-N 436.497 2.268 0 40 IEAB O=C1CCCCCN1CC(=O)N1CC[C@@H](c2ccc3c(NC4CCOCC4)n[nH]c3n2)C1 19705060 YXBVJHXBVQCUKD-MRXNPFEDSA-N 440.548 2.267 0 40 IEAB Cn1c(=O)c2ccc(C3CCC(CNC(=O)Cc4ccc(F)cc4)CC3)nc2n(C)c1=O 19742972 KREGRCDKDQXPDE-UHFFFAOYSA-N 438.503 2.404 0 40 IEAB Cc1nc([C@@H]2CCCCN2S(=O)(=O)N(C)C)ncc1C(=O)NCc1ccc(F)cc1 19764949 LTHSJYBQTRPWOA-SFHVURJKSA-N 435.525 2.188 0 40 IEAB Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(CN4CCOCC4)cc3)c(Cl)cc21 20428120 DXCCARMEKREDIF-UHFFFAOYSA-N 437.905 2.418 0 40 IEAB O=C1C(=O)N(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c2ccccc21 23935110 FRLOJQURSDJHOW-UHFFFAOYSA-N 435.505 2.333 0 40 IEAB COc1ccc([C@@H](NC(=O)CCc2c(C)nc(SC)[nH]c2=O)c2nccn2C)cc1 24026246 GNNAGDZMGGEILL-GOSISDBHSA-N 427.530 2.381 0 40 IEAB 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C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 13128755 RWYZKTIJDYEMTM-DEOSSOPVSA-N 449.463 2.235 0 40 IEAB COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCc2ccc(Cl)cc2)cc1 13371666 IPMNUVZLTQYQHJ-ROUUACIJSA-N 429.947 2.078 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 14245475 MMRURHRGCAOERN-HXUWFJFHSA-N 430.526 2.129 0 40 IEAB COc1ccc(CCN(C)CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1OC 15404942 XZMRGJQSXWPFNY-UHFFFAOYSA-N 435.546 2.081 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cc(-c3ccc4c(c3)OCO4)on2)cc1 16838609 PDPYJNFNRZPUIK-UHFFFAOYSA-N 429.454 2.251 0 40 IEAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)[C@@H]3CCCO3)CC2)on1 19122817 MLMHDWCXJJKTOK-SFHVURJKSA-N 427.505 2.162 0 40 IEAB O=C(c1ccc(F)cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CCn2cnnc2C1 19372517 AGGXLXWPCRPPRP-NHCUHLMSSA-N 433.487 2.391 0 40 IEAB COc1cccc(-c2noc([C@H]3CN(S(=O)(=O)CCc4ccncc4)CCO3)n2)c1 19566794 RRSZYRWRQOECCX-GOSISDBHSA-N 430.486 2.086 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cc3csc(C)n3)CC1)C2=O 19700694 AMZZEMSNOGJBJM-UHFFFAOYSA-N 447.605 2.029 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)CC4(CCCCC4)C3=O)CC2)c(F)c1 22976710 KFHYIMQAWLIYCN-UHFFFAOYSA-N 429.492 2.386 0 40 IEAB O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 24940572 SWYLKBQJFHANFU-KRWDZBQOSA-N 433.430 2.485 0 40 IEAB NC(=O)[C@H]1Cc2ccccc2CN1CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 32879150 REAZZXJHCAYFSL-QZTJIDSGSA-N 446.429 2.205 0 40 IEAB CN1C[C@H](NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1=O 58162285 PPZLCBGAYVMFEP-CYBMUJFWSA-N 425.869 2.240 0 40 IEAB COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccnn4[C@@H]4CCCCO4)C[C@H]32)c(OC)n1 72392628 VZNZLVZGEPVXTE-TUXJCPBXSA-N 429.521 2.119 0 40 IEAB CCCN1CCN(C2CCN(C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)CC1 95457109 HCKHZTRECKCJEG-UHFFFAOYSA-N 440.679 2.393 0 40 IEAB CC(C)(C)c1ncsc1C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)CC1 95463909 ZZIZAUQUUSSGQX-UHFFFAOYSA-N 443.572 2.347 0 40 IEAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCN(CCc2ccccn2)CC1 95473500 PMTNBHXDTMMXNL-HXUWFJFHSA-N 428.606 2.409 0 40 IEAB CC(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)CC1 95991537 GCPMLLWFJCKIDZ-UHFFFAOYSA-N 434.496 2.406 0 40 IEAB CC(C)N1CCN(CC2CC2)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H]3CCCO3)cn12 96156794 NTSGFGPJYWKMJG-VQTJNVASSA-N 426.565 2.115 0 40 IEAB COCC(=O)N1CCc2c(nc3cc([C@@H]4CCCN4Cc4ccccc4F)nn3c2O)C1 100234440 IRKZGMLTVKCROW-FQEVSTJZSA-N 439.491 2.442 0 40 IEAB COC(=O)c1ccc(C)c(S(=O)(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)c1 223911509 ZSAQJVBTKNDOOX-UHFFFAOYSA-N 447.469 2.327 0 40 IEAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 224083140 NUWYRUXXZTXGAI-IBGZPJMESA-N 445.585 2.211 0 40 IEAB O=C(CCN1CCOCC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCCC2)CC1 257288187 PTGLAOUOJVLTEU-LSQMVHIFSA-N 429.605 2.162 0 40 IEAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3nccs3)C[C@@H]2N1Cc1ccccc1 306137312 QSKYBBBQYFVCFN-IRXDYDNUSA-N 428.539 2.374 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1cccc(I)c1 408625800 ZFXRSDVAZVTKLS-OMDWYFEUSA-N 448.260 2.283 0 40 IEAB C[C@@]1(c2cccc(-c3noc([C@@H]4CCCN(C(=O)N5CCCC5)C4)n3)c2)NC(=O)NC1=O 563791367 UHKRMQBELBBMBX-QRQCRPRQSA-N 438.488 2.186 0 40 IEAB Cc1cc(N2C[C@@H]3CN(C(=O)Cc4ccc(S(=O)(=O)C(C)C)cc4)C[C@H]3C2)ncn1 1775975536 JMBOONBNFBGDLD-RTBURBONSA-N 428.558 2.104 0 40 IEAB COCCn1c(CCC(=O)Nc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 5272635 FJZXKZLRPJFXLP-UHFFFAOYSA-N 427.505 2.068 0 40 IEAB CN(CC(=O)N1CCOCC1)CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 8943905 HEYUKHLPCLFMOW-IBGZPJMESA-N 444.919 2.401 0 40 IEAB CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 9449674 ZGWWZTQSDRRRGC-AWEZNQCLSA-N 444.509 2.395 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(C)c(C)c4)[C@H]3C2=O)cc1OC 9675642 MZQVZGABVXUJDT-WOJBJXKFSA-N 437.456 2.253 0 40 IEAB Cc1ccc(Cn2ccs/c2=N/C(=O)COC(=O)CCn2c(C)csc2=O)cc1 10021593 JLPKLVACJYCOQJ-XUTLUUPISA-N 431.539 2.499 0 40 IEAB CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1 10367809 MCTRLJSNIPPDFJ-UHFFFAOYSA-N 436.578 2.206 0 40 IEAB CN1CC[C@]2(CCC1=O)CN(CC(=O)NCc1cccc(F)c1)C(=O)c1ccccc1O2 12086704 SQKPDNVMFSJWDS-XMMPIXPASA-N 439.487 2.358 0 40 IEAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12778980 VSAWPYSZQHCFCW-UHFFFAOYSA-N 448.545 2.054 0 40 IEAB CN(CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1)S(=O)(=O)c1ccc(F)cc1 12973088 PBYRJDXDWJSYMG-UHFFFAOYSA-N 439.940 2.444 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1C 13001365 DWEWICFAVSTGBX-UHFFFAOYSA-N 428.507 2.105 0 40 IEAB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(S(C)(=O)=O)cc2)cc1OCC 13108229 UFFKQNJXBXZWEE-UHFFFAOYSA-N 449.525 2.403 0 40 IEAB Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCCN21 15956811 HXYBCBNOZXGTGU-KHTISZTLSA-N 445.475 2.463 0 40 IEAB biogenic COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2ccc(F)cc2)CC1 16291280 BKCYULAVGHPWMF-UHFFFAOYSA-N 435.521 2.112 0 40 IEAB COC(=O)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)cc1 16737039 VKVPTERAYOPVOF-BOPFTXTBSA-N 439.880 2.090 0 40 IEAB CSc1ccc2nc(N3CCN(C(=O)[C@H]4CCCN4S(C)(=O)=O)CC3)sc2c1 16847918 IBZPMKXBHBDJET-OAHLLOKOSA-N 440.616 2.091 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCSc1ccccc1 18214627 YDBKDRNJJSIQAF-UHFFFAOYSA-N 436.555 2.238 0 40 IEAB O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)[nH]c(=O)c2C1 19014598 SYIIXNQTWCAXGS-WOJBJXKFSA-N 442.560 2.468 0 40 IEAB C[C@H](C(=O)NCc1ccc(-c2ccnc3nc(C(F)(F)F)nn23)cc1)N1CCCC1=O 19080407 VSJDHYPFMXDJKG-GFCCVEGCSA-N 432.406 2.437 0 40 IEAB Cc1ccc(-n2ncc(C(=O)[C@@H]3CCCN(S(=O)(=O)N4CCCCC4)C3)c2N)cc1 19213069 OFUYLOGIZXSGDR-QGZVFWFLSA-N 431.562 2.388 0 40 IEAB CN(C(=O)CCc1nn(C)c(=O)c2ccccc12)c1nc2c(s1)CCc1c-2cnn1C 19289546 PQVREBOVJJYXFA-UHFFFAOYSA-N 434.525 2.485 0 40 IEAB COc1ccc(C(=O)N2C[C@@H](CN(C)C)[C@@]3(CCc4ccccc4C(=O)N3)C2)cc1OC 19583346 DXINMXSOXPKSLD-KBMIEXCESA-N 437.540 2.452 0 40 IEAB CN(C)c1ncc(-c2ccc(F)cc2)c(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)n1 19695343 FNRGJYTWUILFJB-UHFFFAOYSA-N 436.491 2.462 0 40 IEAB CNC(=O)c1cnc(C2CCN(C(=O)CCn3c(=O)oc4ccc(C)cc43)CC2)nc1C 19766449 OYUGFUCGTQROBS-UHFFFAOYSA-N 437.500 2.157 0 40 IEAB CCOC(=O)c1ccsc1NC(=O)CN1CCN(CC(=O)Nc2ccc(C)cc2)CC1 24748106 BLNZAIZSYTWXOH-UHFFFAOYSA-N 444.557 2.428 0 40 IEAB O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 32722128 UXLKSZIWJPGPLJ-UHFFFAOYSA-N 436.394 2.479 0 40 IEAB Cc1cc(=O)c(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)nn1-c1ccccc1F 32781581 NCWSNRUXOILPIT-HXUWFJFHSA-N 436.487 2.483 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 36037044 VFGRWTKXCIVEPU-DYVFJYSZSA-N 426.336 2.266 0 40 IEAB COC(=O)CNC(=O)c1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 39983244 MDMVRRPRAHIBTK-UHFFFAOYSA-N 430.457 2.187 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(Cc3cc(C)no3)CC2)c1 40013325 UKSCIJAOWLFDLA-UHFFFAOYSA-N 434.562 2.280 0 40 IEAB Cc1nccn1-c1ccc(CNC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)cc1 44904011 OJHDQMYQKCAQRX-UHFFFAOYSA-N 445.520 2.249 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)o1 46749750 WSHBFTWVLSJZSP-SFHVURJKSA-N 446.525 2.409 0 40 IEAB COc1ccc(CN2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1OC(F)F 57774544 NTYANDVDBGAVMF-UHFFFAOYSA-N 429.427 2.438 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)CCCn1cncn1 72306775 DLRTXDOPIOWSNT-INIZCTEOSA-N 434.294 2.203 0 40 IEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)cc2)n1 101055369 YRDYXRXWPWGRKW-DTDBQYNISA-N 442.497 2.356 0 40 IEAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=C(N)S[C@H]3C2=O)C(=O)Oc2cc(O)ccc24)cc1 107168252 ILZMDKUUNVHAOI-JFIYKMOQSA-N 438.461 2.269 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1 220091759 WSRQYYFREUZGRX-CYBMUJFWSA-N 428.457 2.323 0 40 IEAB CCOc1ccc(CNS(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1OCC 225420143 WAWLYDTUSBYYHC-UHFFFAOYSA-N 428.536 2.409 0 40 IEAB Cc1noc(-c2ccn3c(CNC(=O)c4ccccc4S(=O)(=O)C(F)F)nnc3c2)n1 225745334 RSWSWBKRMQITSE-UHFFFAOYSA-N 448.411 2.014 0 40 IEAB CCN(CC(=O)Nc1cccc(-c2nc(C)cc(=O)[nH]2)c1)S(=O)(=O)c1ccccc1 226073236 NBIMGGJGNZSNJE-UHFFFAOYSA-N 426.498 2.395 0 40 IEAB Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2C(=O)NC(C)(C)C2=O)c2cccc(C)c2)cc1 1250063 JSZOJJIBKRSVAC-SFHVURJKSA-N 445.541 2.190 0 40 IEAB O=C1NC(=O)[C@@H](CC(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1 4100243 GFIRRYBPZSBTPG-GOSISDBHSA-N 426.517 2.379 0 40 IEAB COc1ccc(OC)c(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)c1 6924475 VZPMYYABCZAOLW-UHFFFAOYSA-N 428.532 2.112 0 40 IEAB Cc1ccc(N2C(=O)NC(=O)/C(=C(\NCCc3cnc[nH]3)Nc3ccccc3)C2=O)cc1 8775438 GIRNSHRUXRMWEU-VXPUYCOJSA-N 430.468 2.457 0 40 IEAB COC(=O)Cn1c(=O)c2c3c(sc2n(CC(=O)c2ccccc2)c1=O)COC(C)(C)C3 9435278 PXFXCKYOWAIOTF-UHFFFAOYSA-N 442.493 2.132 0 40 IEAB CCN(C(=O)CSc1nnc(Nc2ccc(OC)cc2)s1)[C@H]1CCS(=O)(=O)C1 9662976 VLGBTEHOGYVBEC-ZDUSSCGKSA-N 442.588 2.418 0 40 IEAB Cc1cccc(C(=O)NCC(=O)OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)c1 9670804 FRPAVQNSGGZVMJ-UHFFFAOYSA-N 431.876 2.019 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)NCCCn3ccnc3)CC2)c1C 9685412 CFBZHDKCISCNFI-UHFFFAOYSA-N 433.578 2.223 0 40 IEAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)C1 10603070 NLDJXMRRCDTHTK-HOTGVXAUSA-N 434.514 2.419 0 40 IEAB Cc1ccc(N2C(=O)N([C@H](C)C(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)[C@@H]2C)cc1 12819920 RCMRPFKXQNQRLF-SJORKVTESA-N 438.484 2.118 0 40 IEAB Nc1c(N(Cc2ccco2)C(=O)COc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 13117821 SONJBZZDJKYXSZ-UHFFFAOYSA-N 446.463 2.372 0 40 IEAB CS(=O)(=O)NC1CCN(CC(=O)N(CCc2ccccc2)Cc2ccccc2)CC1 15553918 GJZQRDGJZWZUOU-UHFFFAOYSA-N 429.586 2.272 0 40 IEAB COc1cccc(CNC(=O)c2cnc([C@@H]3CCCCN3S(=O)(=O)N(C)C)nc2C)c1 19764608 IWQHRVBVNFRNHX-IBGZPJMESA-N 447.561 2.057 0 40 IEAB COc1ccc(OC)c(N2C(=O)/C(=C/N[C@H]3CCS(=O)(=O)C3)c3ccccc3C2=O)c1 20519069 DXGJDVBKZKPALU-QCUKBLKESA-N 442.493 2.008 0 40 IEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)O[C@H](C)C(=O)NC(=O)NCc2ccccc2)c1 21620585 ITZDKFNCYCLNBF-CYBMUJFWSA-N 440.456 2.175 0 40 IEAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1 23818280 DFXNFUZZXVDDFD-NRFANRHFSA-N 431.533 2.323 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)N2CCN(Cc3cccs3)CC2)cc1 23882394 FDOUUPKMZSITSI-UHFFFAOYSA-N 444.586 2.228 0 40 IEAB CNC(=O)c1ccc(CN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)C2CC2)cc1 26116636 HLXRVPSBUMJWHB-IQMFZBJNSA-N 426.517 2.038 0 40 IEAB CC(=O)N1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](CNC(=O)c3cncnc3)C=C2C)CC1 30879873 NNPYXSFKBUPJPL-ONTIZHBOSA-N 441.576 2.142 0 40 IEAB biogenic,in-vitro COC(=O)[C@@H](CCSC)NC(=O)N1CCc2[nH]cnc2[C@@H]1c1ccc2c(c1)OCO2 36594769 SUBBBFBYXBEEFD-KDOFPFPSSA-N 432.502 2.090 0 40 IEAB biogenic CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(OCCn3cncn3)c2)C1=O 40139043 MKIGTEYVBNWGEZ-HSZRJFAPSA-N 448.483 2.153 0 40 IEAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1 67197220 FJXNHFXEJUNGRU-UHFFFAOYSA-N 432.436 2.402 0 40 IEAB CC(=O)c1ccc(N2CCN(c3ncc(S(=O)(=O)c4ccccc4)c(N)n3)CC2)cc1 71771864 APUTUEPWWYHOJO-UHFFFAOYSA-N 437.525 2.421 0 40 IEAB CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 79493583 ZINJHPGGNINNOG-NSKBAKJYSA-N 434.602 2.480 0 40 IEAB O=C(CN(C1CC1)S(=O)(=O)[C@@H]1CCN(Cc2ccccc2)C1)NCc1cccs1 89834896 KAWLSMBYFQBENE-HXUWFJFHSA-N 433.599 2.433 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3SC(N)=C4C(=O)Oc5ccccc5[C@@H]4[C@@H]3C2=O)cc1OC 107167179 SGNZOGHXIPCUNW-SOLBZPMBSA-N 438.461 2.182 0 40 IEAB Cc1c(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cccc1N(C)S(C)(=O)=O 222432904 SDHINFRQMUFPPJ-UHFFFAOYSA-N 425.532 2.039 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 222605465 ITFQFDQTZLTLKF-KRWDZBQOSA-N 449.548 2.372 0 40 IEAB Cc1ccc(OCCNC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1Cl 224139925 UPQVKXDJXPGNND-UHFFFAOYSA-N 425.938 2.456 0 40 IEAB COc1ncccc1CN1C[C@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O 306139315 SUKKVFXLXVYMIQ-RDGATRHJSA-N 445.523 2.277 0 40 IEAB O=S1(=O)CCN(S(=O)(=O)c2cccc3nsnc23)CC[C@@H]1c1cccs1 390831419 RSIAIYRQZYHOEG-CYBMUJFWSA-N 429.570 2.303 0 40 IEAB O=C(NCCc1ccccn1)C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 408710001 KRYVFOQQUDDXOT-UHFFFAOYSA-N 446.463 2.038 0 40 IEAB Cn1ccnc1COc1ccc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)cc1 585269663 HIQSNHZPLGEULU-DQEYMECFSA-N 447.583 2.366 0 40 IEAB COc1cc(CN2CC[C@@](O)(CN3CCOCC3)C2)ccc1OCCN1CCC(C)CC1 585274395 VXNKBTSTBHRYFE-RUZDIDTESA-N 447.620 2.075 0 40 IEAB O=S(=O)(Cc1ccc(Cl)cc1)N1CC[C@H]2C[C@H](CN3CCCOCC3)O[C@H]2C1 2056225271 HGRHTTTZZUGDSB-SXLOBPIMSA-N 428.982 2.372 0 40 IEAB CN(C)C(=O)Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21 1340517 CXUOGIAFQFTIHG-UHFFFAOYSA-N 426.498 2.262 0 40 IEAB Nn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccc(OC(F)F)cc1 3365684 YGHANLBADPTNSI-UHFFFAOYSA-N 426.449 2.121 0 40 IEAB COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(CC(C)C)c(=O)n2C)cc1OC 9124072 UOTYYTVXNYEXKG-UHFFFAOYSA-N 441.532 2.023 0 40 IEAB Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)c2ccc(-n3cnnn3)cc2)cc1 9634546 WNSBFDZKJMTBHO-LNVKXUELSA-N 434.481 2.166 0 40 IEAB CC(=O)c1ccc(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)cc1 9827596 DDEZXCYTRFERKY-UHFFFAOYSA-N 430.530 2.368 0 40 IEAB CC(C)Oc1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 12163684 GGEPLTTZTWQQBN-UHFFFAOYSA-N 446.573 2.141 0 40 IEAB COc1ccc(C)cc1NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 12538099 MSYYXRKTEGKVMX-OAQYLSRUSA-N 425.485 2.069 0 40 IEAB NC(=O)CCc1nnc(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)n1C[C@@H]1CCCO1 12996941 FUYYJCRRJIKXTD-LBPRGKRZSA-N 448.936 2.057 0 40 IEAB COc1ccc2c(CN3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc(=O)oc2c1 13042503 BQHDLCJZQBABLN-QFIPXVFZSA-N 436.464 2.286 0 40 IEAB C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 13059524 NYMXJHSZFQODSJ-QGZVFWFLSA-N 429.546 2.002 0 40 IEAB Cc1cc(-n2c(C)cc(C(=O)Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)c2C)no1 13117971 FUPOLAPDDVCSSP-UHFFFAOYSA-N 444.513 2.220 0 40 IEAB NC(=O)[C@H](c1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 14093339 XPACVVMRXVSZNH-FQEVSTJZSA-N 431.475 2.303 0 40 IEAB C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1 14234974 DZBPLUYNJWBPAU-LLVKDONJSA-N 429.857 2.113 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)CSCc2cccc(C)c2)c(=O)[nH]c1=O 14624264 VEDMFVBKRQNTCA-UHFFFAOYSA-N 434.562 2.140 0 40 IEAB O=C(OCc1nc(-c2ccccc2)no1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15186647 AAINPNJZZYMADQ-UHFFFAOYSA-N 429.454 2.115 0 40 IEAB CCN(C(=O)[C@H](C)OC(=O)COc1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 15852786 MROPRCCTSXILFK-DOTOQJQBSA-N 425.547 2.330 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)C)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1 18062313 NSJUUISLFUSLML-UHFFFAOYSA-N 433.534 2.270 0 40 IEAB Cc1ccc(Nc2nc(N)nc(COC(=O)CCN3C(=O)COc4ccccc43)n2)cc1 18597506 BXRYAHCGYZUXNC-UHFFFAOYSA-N 434.456 2.365 0 40 IEAB O=C([C@H]1CCCO1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1ccccc1F)CC2 19349270 KHXUNOCEVSQHEM-VQTJNVASSA-N 426.492 2.310 0 40 IEAB COc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC[C@H]1C)C[C@]1(CCC(=O)N(C)CC1)O2 19496267 UDAASQOSZPENSQ-MZNJEOGPSA-N 443.544 2.312 0 40 IEAB CN1C[C@@H](C(=O)N2CCC[C@@H]2c2nc(O)c3c(n2)CN(CC2CCCCC2)CC3)CC1=O 19587271 WOVMGSVSPMTJJD-FXAWDEMLSA-N 441.576 2.262 0 40 IEAB NC(=O)c1ccc(-c2nccnc2[C@@H]2CN(C(=O)COc3ccccc3F)CCO2)cc1 19693396 VEMLNKZAIBZSJS-IBGZPJMESA-N 436.443 2.361 0 40 IEAB COc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN(S(C)(=O)=O)C4)nc32)cc1 19739414 JIBDQSTVEBABHD-QGZVFWFLSA-N 444.557 2.412 0 40 IEAB Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)n1 19756596 DAXDQPOMMNMMMN-OAHLLOKOSA-N 445.545 2.252 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1cc(F)ccc1F 20022286 LFFGOJXSODIFNK-UHFFFAOYSA-N 426.441 2.312 0 40 IEAB COCCn1nnnc1CN(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O 20109356 SBHLDGFJMJIABU-UHFFFAOYSA-N 448.527 2.415 0 40 IEAB Cc1cc(C)cc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 22329420 NDGRQYZDTYCYQU-INIZCTEOSA-N 438.571 2.350 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 22917821 UJKVJDTVAFVRIX-UHFFFAOYSA-N 444.601 2.473 0 40 IEAB O=C1CN(C(=O)COC(=O)c2ccc(I)cc2)c2ccccc2N1 25391370 WZPULWJOSKJDHQ-UHFFFAOYSA-N 436.205 2.433 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 29695099 IIZVQBMQELEPHB-UHFFFAOYSA-N 431.558 2.272 0 40 IEAB COC(=O)c1nn(CN(C)Cc2ccccc2OC(F)(F)F)c(=O)c2noc(C)c12 58168948 VZDCZWFFIPDFAX-UHFFFAOYSA-N 426.351 2.468 0 40 IEAB COc1ccc(OC)c(NC(=O)c2nnn(CC(=O)Nc3ccc4c(c3)OCO4)c2C)c1 67322851 WIORXOJEAQOWBH-UHFFFAOYSA-N 439.428 2.223 0 40 IEAB Cn1nc(C2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)CC2)n(C2CC2)c1=O 77148337 WRBPYNWXWRISBB-UHFFFAOYSA-N 426.517 2.415 0 40 IEAB COc1ccc([C@H](CNC(=O)CCc2nc(-c3nc[nH]n3)no2)N2CCCCC2)cc1 78718617 WKNYUZJXGBYGIP-KRWDZBQOSA-N 425.493 2.139 0 40 IEAB CS(=O)(=O)c1ccc(OCc2ccc(C(=O)NCC3CCC(C(N)=O)CC3)o2)cc1 95963967 KLZWTBUFYIKPHR-UHFFFAOYSA-N 434.514 2.284 0 40 IEAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@H]1c1cc2nc3c(c(O)n2n1)CCCC3 100139345 NUSLNZNZTMOMPE-SFHVURJKSA-N 430.468 2.299 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223651258 QOVOXRKGWLKZDS-GOSISDBHSA-N 431.558 2.314 0 40 IEAB Cc1nc(N)nc(C)c1CCC(=O)NCc1cccc([C@@H]2NC(=O)N[C@H]3OCCC[C@H]32)c1 257253949 KAZGTMWRXAHIGU-JBACZVJFSA-N 438.532 2.031 0 40 IEAB O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1ccnnc1 257313168 URGIPWDVWGRZIW-LWSSLDFYSA-N 448.498 2.353 0 40 IEAB O=C(c1cc2ccccc2[nH]1)N1CC2(C1)[C@@H](COCc1cccnc1)CCS2(=O)=O 306128567 HEUINLVMNCBONB-GOSISDBHSA-N 425.510 2.409 0 40 IEAB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C1=O 408594133 SMFZVERVKURDHZ-OQLLNIDSSA-N 429.816 2.335 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)cc1 408656147 INXDTGCWJFAUHB-AWEZNQCLSA-N 428.441 2.247 0 40 IEAB c1ccc2c(c1)N(CCN1C[C@@H]3CC[C@H](C1)O3)CCCN2CCN1C[C@@H]2CC[C@H](C1)O2 538269161 UJFGHCSWIYNZET-MESAYYPLSA-N 426.605 2.430 0 40 IEAB Cc1nc2ccccn2c1CN1CCO[C@@]2(CO[C@@H](C(=O)NCc3ccc(F)cc3)C2)C1 2056225912 FKRVPHDTJUUMSR-ZJSXRUAMSA-N 438.503 2.458 0 40 IEAB CN1C(=O)[C@@H](CC(=O)NCCc2ccccc2)N(NC(=O)c2ccc(Cl)cc2)C1=S 662341 PICIUYXLYXMEFL-QGZVFWFLSA-N 444.944 2.161 0 40 IEAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 3531274 CYAFFXJYKOVPIF-OAHLLOKOSA-N 448.595 2.450 0 40 IEAB CO[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O 4721309 WYAMNJUPQNEGOI-QVXKZJQXSA-N 436.504 2.449 0 40 IEAB biogenic,in-vitro Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1nnc(-c2cccc(F)c2)n1 9245710 FAJMEMYVBLDEKF-UHFFFAOYSA-N 447.268 2.305 0 40 IEAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCc1ccccc1 9304437 SLHGYMRQDDTROZ-INIZCTEOSA-N 447.532 2.048 0 40 IEAB CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 9507220 KGMWFQQPNJBOAX-UHFFFAOYSA-N 432.498 2.469 0 40 IEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cccc(Cl)c2)c(=O)[nH]c1=O 9508301 ONAUBKUZLZGJOR-UHFFFAOYSA-N 428.876 2.266 0 40 IEAB O=c1ccc(-c2cccnc2)nn1CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 11743994 QHTMNQSUWANPET-UHFFFAOYSA-N 440.403 2.182 0 40 IEAB CN(Cc1ccc(Cl)cc1Cl)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12790235 WNMYEGYLWXHNGB-ZDUSSCGKSA-N 432.329 2.117 0 40 IEAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1ccc(Br)cc1 12855469 ACIVMAJDNNUYJF-XOBRGWDASA-N 447.285 2.419 0 40 IEAB NS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 12891421 PDXKJBSVANRVAW-UHFFFAOYSA-N 441.553 2.350 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 12893581 BLZHHCHNLFRHLB-UHFFFAOYSA-N 444.513 2.231 0 40 IEAB COc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1Cl 13612603 NWEYKKWIKGMREU-UHFFFAOYSA-N 430.935 2.350 0 40 IEAB C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 16869316 DBBLOJBWJVFITP-TZMCWYRMSA-N 435.523 2.498 0 40 IEAB COc1cc([C@H]2c3cc4c(cc3[C@H](OCCN)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 16957928 AVQJGWBIRNZWFE-YXXMBDFVSA-N 443.452 2.089 0 40 IEAB O=C(COC[C@@H]1CCCCO1)N1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1 19406985 VKCYBSRFGMFJOE-YHUYYLMFSA-N 431.459 2.390 0 40 IEAB COc1cc(CN2Cc3cn(C)nc3[C@H](C(=O)N3CCOCC3)C2)ccc1OC(C)C 19701466 KTHXHBNRKZCJKQ-LJQANCHMSA-N 428.533 2.174 0 40 IEAB CC(=O)N1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccccc3)nc(N(C)C)c2C1 19710389 KQOKPIBUKLOJAC-FQEVSTJZSA-N 443.573 2.363 0 40 IEAB COCC(=O)NCc1cnc2cc(C)nn2c1C1CCN(C(=O)Cc2ccccc2)CC1 19743548 QPILUVQOOOEGBM-UHFFFAOYSA-N 435.528 2.249 0 40 IEAB CN1CCN(C(=O)c2ccc(=O)n(CC(=O)NCc3ccccc3)c2)[C@@H](c2ccccc2)C1 19751195 FGCVNMGQJGYSAN-HSZRJFAPSA-N 444.535 2.294 0 40 IEAB Cn1cc(C(=O)N2CCC(Cc3nn(C)cc3C(=O)NCc3ccc(F)cc3)CC2)cn1 19758548 NQGTZYVNSIGEBH-UHFFFAOYSA-N 438.507 2.318 0 40 IEAB CN(Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1)S(C)(=O)=O 20034944 NMBPUGWVFXLYOB-UHFFFAOYSA-N 431.514 2.222 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCCN2CCN(C)CC2)cc1 22934930 MLBYWKFQWLJKSY-UHFFFAOYSA-N 430.574 2.163 0 40 IEAB Cc1ccc(CN(C)C(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c(C)c1 22935400 DGWYAYDJCMDQRO-SFTDATJTSA-N 428.621 2.384 0 40 IEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1ccccc1 25355976 KMFNQEHSKZRNHZ-UHFFFAOYSA-N 430.457 2.062 0 40 IEAB CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 32894206 QOWXVTKBMZQCFA-NRFANRHFSA-N 441.553 2.174 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccc(C)cc1 36163078 HTIRTVKGVHRZQS-PXNSSMCTSA-N 429.517 2.441 0 40 IEAB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NCCC(=O)NCc2ccccc2)C(C)C)c1 58161444 LEJYMZYEGNFCQL-JOCHJYFZSA-N 441.528 2.281 0 40 IEAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(N4NC(=O)CCC4=O)cc3)c2)n1 58201201 TXGXRTDFJJXTDP-UHFFFAOYSA-N 431.452 2.410 0 40 IEAB CCCc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)N2CCN(C=O)CC2)cc1 67245650 NPQLJHRDUPXDFE-UHFFFAOYSA-N 435.571 2.440 0 40 IEAB NC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1 69510403 LZNIDEQBUMZSBJ-UHFFFAOYSA-N 427.276 2.218 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1CCC[C@H](c2[nH]ncc2-c2ccncc2)C1 72334785 YSFFHCWQIMRZLS-ZCZMFWIKSA-N 433.512 2.209 0 40 IEAB COc1ccc(NS(=O)(=O)c2cc(OC)c(OC)c(C(=O)O)c2)c(Br)n1 83937341 DIAUJJWPGQHUBZ-UHFFFAOYSA-N 447.263 2.369 0 40 IEAB O=C(NCCc1nnc2ccccn12)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 95475267 ZIWTXTYUVJEFAI-UHFFFAOYSA-N 433.921 2.285 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccccc4Cl)[C@H]3C2=O)cc1OC 101169791 JKHPCFOQJHXZNX-ZWKOTPCHSA-N 443.847 2.289 0 40 IEAB COc1ccccc1N1C(=O)[C@H]2SC(N)=C3C(=O)Oc4c(OC)cccc4[C@@H]3[C@@H]2C1=O 101374329 PBGGRYKGHUOGTD-VKJFTORMSA-N 438.461 2.182 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCO 206597759 YKRWIVINXJELGP-UHFFFAOYSA-N 433.511 2.358 0 40 IEAB CCc1ccccc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC)S(C)(=O)=O 222458731 QHSQVEDRTWEOHR-SFHVURJKSA-N 445.585 2.487 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 222604888 VDUKLFATLSEZIN-UHFFFAOYSA-N 444.962 2.352 0 40 IEAB CCSc1nnc(NC(=O)[C@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)s1 224622477 QCECJJRAHZUSQX-JTQLQIEISA-N 446.576 2.461 0 40 IEAB COC(=O)/C=C/[C@H](O)[C@H](O)CC/C(C)=C/[C@@H]1C=C(C)[C@H](C)[C@@H]2[C@H](CC(C)C)NC(=O)[C@]12O 252507121 YUXUTEAAGHFKKH-NJLRMQHSSA-N 449.588 2.268 0 40 IEAB biogenic,in-vitro Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)c4ccc(OCCCN)cc4)C3)c2n1 257207856 BJPQBAOBMBYCPS-VWLOTQADSA-N 449.555 2.379 0 40 IEAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 408705467 GNMRBBCHKUPXGP-UHFFFAOYSA-N 434.470 2.298 0 40 IEAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(OC)c1 575425745 IDWHIXICPJODTD-MRXNPFEDSA-N 425.528 2.082 0 40 IEAB COc1ccc(-c2ncnc(N3CC(N(C)S(=O)(=O)c4c(C)n[nH]c4C)C3)c2F)cc1 1775974601 XGPFJGRJANOMLT-UHFFFAOYSA-N 446.508 2.141 0 40 IEAB COc1ccc(CNC(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)cc1OC 3446687 RNSCVSLLNHGPKM-UHFFFAOYSA-N 449.558 2.269 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 6545331 MSASDIIRSWJFCC-WSDUQJHMSA-N 438.461 2.120 0 40 IEAB CC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(OC)c1 6821093 HXCKZCSNRXIWJR-OAHLLOKOSA-N 445.545 2.317 0 40 IEAB COc1ccc(CN(C)C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1OC 9512298 IKFRVZRZXGLOBT-XMMPIXPASA-N 437.496 2.446 0 40 IEAB Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)o2)nn1C 12443049 DWDODDFTQSQEPA-CYBMUJFWSA-N 444.517 2.451 0 40 IEAB COCCN(C(=O)C(=O)NC1CCCC1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F 12641204 GIBKCENTAMKBIQ-HXUWFJFHSA-N 433.524 2.459 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc(F)c(F)c2)cc1 12856096 KXGJVOGMGGMZKV-UHFFFAOYSA-N 440.424 2.018 0 40 IEAB CCc1cccc(C)c1NC(=O)C1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1 12860684 PSHIGRWNRIXFFY-UHFFFAOYSA-N 432.546 2.034 0 40 IEAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)ccc12 13608687 NXZWCEUVWLBVGQ-KRWDZBQOSA-N 441.505 2.374 0 40 IEAB COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5ccco5)C(=O)[C@H]24)O3)cc(OC)c1OC 13610091 ISXOWZYGLYPNPI-LPSTTYAQSA-N 440.452 2.226 0 40 IEAB COc1ccc2oc(=O)c(-c3ccc(OCC(=O)NCCN4CCOCC4)cc3)cc2c1 13732086 SZNJWXRBJVILMM-UHFFFAOYSA-N 438.480 2.296 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c(C)c1 13848978 MYQLXMFGBZPRRQ-UHFFFAOYSA-N 431.514 2.156 0 40 IEAB CSc1cccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 14250824 DIWKUEYWAWOXQA-HIFRSBDPSA-N 441.509 2.431 0 40 IEAB C[C@H]1CN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@@H](C)O1 14340206 CVBWABCXXKLQLS-OKILXGFUSA-N 431.986 2.208 0 40 IEAB COc1c(Br)c(C[C@H]2CC(C(N)=O)=NO2)c(Br)c2c1OCO2 15085746 GLYUBOXESAYZJW-YFKPBYRVSA-N 436.056 2.122 0 40 IEAB COC[C@H](C)NC(=O)CN1CCC[C@@H](c2c(-c3cc(C)no3)cnc3cc(C)nn23)C1 19124161 KOVQZPCOVFSXSA-DLBZAZTESA-N 426.521 2.332 0 40 IEAB CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19445995 KHBNDWXWXJUTOK-WIYYLYMNSA-N 428.537 2.096 0 40 IEAB Cc1ccc(=O)n(CC(=O)N2CC[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n1 19695023 FKCSFFJWSXSYJW-KRWDZBQOSA-N 436.491 2.230 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H]2CCCO2)cc1C 20008617 VPOGIUPCNACJJU-QUCCMNQESA-N 432.542 2.188 0 40 IEAB N=C(NC1=N[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1)Nc1ccccc1 20635233 FJRZUMMARGGAME-CQSZACIVSA-N 429.278 2.269 0 40 IEAB O=C(Nc1ncccc1O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 22261765 OZFJPBASYMHNSN-UHFFFAOYSA-N 425.426 2.010 0 40 IEAB Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22796484 YXBLYUIRVHPFNV-NRFANRHFSA-N 428.964 2.370 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)C1=O 25605738 FFNMZLGFTIHHIH-QHCPKHFHSA-N 435.436 2.259 0 40 IEAB O=C(CN1CCN(CN2CCSC2=S)CC1)Nc1ccc(OC(F)(F)F)cc1 29873197 SPBIICRGDRAMNC-UHFFFAOYSA-N 434.509 2.433 0 40 IEAB COc1cc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)ccc1OC(F)F 32983223 LWZUIOPSSNDSGE-IBGZPJMESA-N 448.422 2.421 0 40 IEAB CC(C)OC(=O)CN1C(=O)[C@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5C(C)(C)[C@H]34)[C@@H]2C1=O 35053103 ZGAHQIAOQBOTOK-CKUWAAHNSA-N 436.555 2.007 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCCn1ncc2c(NCc3ccc(F)cc3)ncnc21 35598427 XSGZGRAJAUEHHM-UHFFFAOYSA-N 445.480 2.161 0 40 IEAB COc1ccc(CN2CCN(C(=O)CCc3c(C)nc4ncnn4c3C)CC2)cc1OC 39975990 KGLXQYIKRHMTIX-UHFFFAOYSA-N 438.532 2.035 0 40 IEAB CCCn1cc(S(=O)(=O)N(C)Cc2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)c(C)n1 72370976 JQUMLBZQFBQVAF-UHFFFAOYSA-N 446.577 2.210 0 40 IEAB O=C(Nc1ccc(-c2ccc(O)nn2)cc1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O 77099866 KCJSBYBNFSGHGV-UHFFFAOYSA-N 433.399 2.139 0 40 IEAB COc1ccc([C@@H](O)[C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1 95444122 VDGFYCPAQOIYIV-YWZLYKJASA-N 435.546 2.060 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3Sc3ncccc32)CC1 96230823 FYAFDIGOFCZZGC-UHFFFAOYSA-N 426.498 2.494 0 40 IEAB COc1ccc(N2C(=O)C[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2=O)c(OC)c1 100793085 LLWFGWLLONZBSQ-GOSISDBHSA-N 426.469 2.411 0 40 IEAB biogenic CSCC[C@H](C(=O)N1CCN(c2nccs2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 102828642 ZYASWKQGKDHPMB-HRCADAONSA-N 436.603 2.089 0 40 IEAB Cc1cccc(N2C(=O)[C@H]3C[C@@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C=C[C@H]3C2=O)c1 221844114 ZQSQZUXEKWFBQC-ZCNNSNEGSA-N 430.464 2.002 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223978512 XURSTAFGPJQRHH-QGZVFWFLSA-N 447.557 2.015 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)c2cnn3cccnc23)CC1 257204775 AWGFTVIQYQLPQW-PQNGQFLHSA-N 435.528 2.179 0 40 IEAB C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 260903470 PAMFBEXFECCRKU-JSGCOSHPSA-N 426.441 2.076 0 40 IEAB Cc1ccnc(OC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2cc4c(s2)CCC4)C3)n1 306132100 KYKRGWXWYFCEKH-HNNXBMFYSA-N 433.555 2.044 0 40 IEAB COc1cccc(CN2CC[C@]3(C2)Cn2c(nn(CC4CCCCC4)c(=O)c2=O)CO3)c1 306143613 YGVSCSRHFOSJLV-DEOSSOPVSA-N 440.544 2.169 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O 408607463 MLMZCAQCHOGZGF-UHFFFAOYSA-N 447.557 2.474 0 40 IEAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 585291690 FDRCDRUFSKNXFU-DKFQHHCZSA-N 432.532 2.855 0 40 IEAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)nn1 1888856526 NSHKDAFDKUFNBL-SJORKVTESA-N 430.549 2.029 0 40 IEAB O=C(O)[C@@H]1N[C@H](c2cc(Br)ccc2O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 2461896 SRLOIPDJEPYJRI-ZJIFWQFVSA-N 449.232 2.197 0 40 IEAB O=C(COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ncc(Cl)cc1Cl 3355525 PSFRJMDWHKLIGA-VXGBXAGGSA-N 426.256 2.211 0 40 IEAB O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 3426060 CDEQWSQCKQECDT-UHFFFAOYSA-N 436.559 2.407 0 40 IEAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O 6003359 UXLOBOBQZQUUPI-QZTJIDSGSA-N 449.548 2.420 0 40 IEAB COc1ccc2cc(CN(CCCN(C)C)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 6198479 PHJAHXNKAQJHDM-IBGZPJMESA-N 432.590 2.344 0 40 IEAB NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2Br)CC1 8714971 DKDYJKUNOFYWMG-UHFFFAOYSA-N 426.130 2.098 0 40 IEAB CCOc1ccc(/C=C(/NC(=O)c2ccc(OC)cc2)C(=O)NCCO)cc1OCC 9109929 KFMUPIODPMAVEX-XMHGGMMESA-N 428.485 2.372 0 40 IEAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccc(F)cc1 9742996 CYKPQGBSNJXWOC-LJQANCHMSA-N 447.532 2.192 0 40 IEAB C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)c1ccc2c(c1)OCCO2 9789281 GODVWUMJCDMUQP-IZHWHUGBSA-N 435.480 2.419 0 40 IEAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(OC)cc3OC)nc21 10188015 HKGHDWGYMVDZLJ-UHFFFAOYSA-N 435.440 2.291 0 40 IEAB CN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)c1ccc(Cn3cnnn3)cc1)c1ccccc1O2 12086479 YTIRULWIRRDAGJ-YKSBVNFPSA-N 446.511 2.356 0 40 IEAB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3C)n(N)c2=O)cc1 12347952 JFOZYQVAQYYKNH-UHFFFAOYSA-N 425.514 2.299 0 40 IEAB CC(C)c1ccc(O[C@@H](C)C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC[C@H]2CCCO2)cc1 12404092 NNINEZJGCABUAM-DBVUQKKJSA-N 432.517 2.017 0 40 IEAB Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 12556816 MQBITCONESIZIA-XMMPIXPASA-N 433.512 2.404 0 40 IEAB COc1cccc(CN(C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c1OC 13040380 ZCZPBWMGCQJJCX-UHFFFAOYSA-N 435.546 2.333 0 40 IEAB O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)s1 13132074 PSSHSUKWERAELN-AAEUAGOBSA-N 447.893 2.091 0 40 IEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 15600989 IXCMOGQBOZGJJZ-UHFFFAOYSA-N 440.525 2.384 0 40 IEAB COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2OC)cc1 16187884 OFUKYEFPEQFXNH-UHFFFAOYSA-N 426.922 2.337 0 40 IEAB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NCCc2ccco2)c2ccco2)cc1 17043173 LQMSPZYGMWJVPX-LJQANCHMSA-N 430.482 2.171 0 40 IEAB C[C@@H]1CN(CC(=O)N2CCC(c3nc4ccc(F)cc4cc3C(N)=O)CC2)C[C@@H](C)O1 19497401 GWKWKQHHYRHAJP-HUUCEWRRSA-N 428.508 2.288 0 40 IEAB CNc1cc(CN(C)C(C)=O)nc([C@H]2CCCCN2CCS(=O)(=O)c2ccccc2)n1 19709774 HAYSMKFGPJJEOX-HXUWFJFHSA-N 445.589 2.498 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4c(c3)CCN4S(C)(=O)=O)ccc21 19819415 VOOUYPPFMHHSCP-UHFFFAOYSA-N 449.554 2.109 0 40 IEAB CC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C 20245247 OIYCHYLXHGTNIS-UHFFFAOYSA-N 436.509 2.215 0 40 IEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCC(=O)Nc1cc(Cl)ccc1Cl 23654177 WUZCXBHQGAVBQG-UHFFFAOYSA-N 427.288 2.303 0 40 IEAB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)N3CCN(C)CC3)n2C)C(C)C)cc1 25180752 CIKJPHILSFGONF-IBGZPJMESA-N 444.605 2.117 0 40 IEAB O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 40118637 NAJAXUDRVMOXPA-UHFFFAOYSA-N 432.440 2.005 0 40 IEAB COc1ccccc1N(CC(=O)NCc1ccc(CN2CCCC2)cc1)S(C)(=O)=O 44857351 YOOUBHQYDUDWCQ-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB CC1CCN(C(=O)Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3sccc32)CC1 57428236 HTLYVYHWLHAZIS-UHFFFAOYSA-N 441.509 2.260 0 40 IEAB Cc1nc2nc([C@@H]3CCCN(C(=O)c4ccn(C)c(=O)c4)C3)cc(C(F)(F)F)c2c(=O)[nH]1 72350881 XOMNEWJIINDYCU-CYBMUJFWSA-N 447.417 2.364 0 40 IEAB CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NCC(=O)NCC(C)(C)N1CCOCC1 97164295 FUTLPWPLQGPXBL-JOCHJYFZSA-N 430.637 2.276 0 40 IEAB CN1C(=O)[C@@]2(N=c3ccccc3=C(O)N2C[C@H](c2ccccc2)N(C)C)c2ccccc21 105817144 FGTVWQAQBLKOSJ-ZEQKJWHPSA-N 426.520 2.378 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCN(C)CC3)Oc3cc(C)ccc32)cc1 219403452 BWRCGYQBGQKWNF-QFIPXVFZSA-N 443.569 2.470 0 40 IEAB CN1CCN([C@H]2CC[C@](CNC(=O)CCN3CCCC3)(c3ccccc3)CC[C@@H]2O)CC1 257213503 CHVIAPFOFHZJGF-GNKBHMEESA-N 442.648 2.077 0 40 IEAB COCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3)cc2)C1 408615799 SIUBGBHGNSXALA-QGZVFWFLSA-N 425.485 2.210 0 40 IEAB CC[C@H](C)[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23 514288192 UUHMOOKGLMRCGV-FVFQVNOOSA-N 444.491 2.159 0 40 IEAB biogenic,in-vitro Cc1c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)nnn1-c1cccc2cccnc12 523515481 KTKLSUCQKRIIFU-UHFFFAOYSA-N 428.378 2.390 0 40 IEAB CC(=O)N1Cc2ccccc2C[C@H]1c1nc(-c2cccc([C@]3(C)NC(=O)NC3=O)c2)no1 685286431 GOKVPPYCPRMMLI-MBSDFSHPSA-N 431.452 2.437 0 40 IEAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4nc(C)nc5c4CCC5)C[C@H]3C2)cc1OC 1888918154 LBZGBFIUERCOTF-HOTGVXAUSA-N 444.557 2.048 0 40 IEAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)Cc5ccccc5Cl)C[C@H]4C3)nn12 1888941715 OCGXSWBUNWFLAB-HZPDHXFCSA-N 446.964 2.238 0 40 IEAB CN(c1ccccn1)C1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 1889211483 NABFXHKHFFQICR-UHFFFAOYSA-N 428.514 2.025 0 40 IEAB COc1ccc(CCNC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 958815 OOMPKSMAUHSUER-ZDUSSCGKSA-N 442.541 2.354 0 40 IEAB CCOc1ccc(-n2c(SCC(=O)NCC(=O)OC)nnc2-c2cccnc2)cc1 3344214 MBXHQQFIWORWCV-UHFFFAOYSA-N 427.486 2.109 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4ccc(F)cc4)c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 6300130 JVXSYKAZGFKFMF-KRWDZBQOSA-N 425.464 2.133 0 40 IEAB CC(C)CN(C(=O)CSc1nc2ccccc2[nH]1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9126797 XBONDMYGIODDHD-UHFFFAOYSA-N 444.561 2.432 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 9245248 KPUQHGABKCWATQ-UHFFFAOYSA-N 430.486 2.389 0 40 IEAB CCN1C(=O)[C@@H](NC(=O)C(=O)NCc2ccccc2OC)c2cc(Br)ccc21 9306117 ILRMDNCACMEPCR-KRWDZBQOSA-N 446.301 2.298 0 40 IEAB COc1ccc(OCCCC(=O)O[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 9485734 XJJBTFWVJCZGMS-CQSZACIVSA-N 436.486 2.072 0 40 IEAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 9515767 ZDNKRWSUGOCLSP-QFIPXVFZSA-N 429.440 2.102 0 40 IEAB COc1ccc(-c2coc3cc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)ccc3c2=O)cc1 9577503 AAQWCRSFDYZDFG-HNNXBMFYSA-N 443.477 2.151 0 40 IEAB biogenic CC(C)CC(=O)NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 11665901 QIODTISWLNYJPC-UHFFFAOYSA-N 425.512 2.454 0 40 IEAB Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)NCCc1c[nH]c2ccccc12 11905980 ZIMJIKMJDCFSDJ-UHFFFAOYSA-N 447.538 2.064 0 40 IEAB O=C(Cn1cc(OCc2ccccc2F)c(=O)cc1CO)NCc1ccc2c(c1)OCO2 12230975 JVVYVBDYBBTVJJ-UHFFFAOYSA-N 440.427 2.104 0 40 IEAB COC(=O)c1sccc1NC(=O)CN1CCCN(Cc2cccc(C)c2)S1(=O)=O 12415337 UWJYISSHKXHNSL-UHFFFAOYSA-N 437.543 2.234 0 40 IEAB O=C(Cc1ccc(Cl)cc1)NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1 12422811 KKTFVJQYIILZOM-UHFFFAOYSA-N 435.977 2.146 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)NC3CC3)c3ccc(F)cc3)CC2)cc1 12750467 WFOVAINCRPYETO-OAQYLSRUSA-N 431.533 2.460 0 40 IEAB O=C(CN1CCN(C(=O)CCNC(=O)c2ccccc2)CC1)Nc1ccccc1Cl 12760771 BBLNCRCDPKGZRH-UHFFFAOYSA-N 428.920 2.243 0 40 IEAB C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 12814951 CVKZPFABZLFMRU-NSHDSACASA-N 439.887 2.332 0 40 IEAB COc1cccc(N(CC(=O)NCCCN2CCCC2)S(=O)(=O)c2ccccc2)c1 13673924 JFVZNMAZHAAIJV-UHFFFAOYSA-N 431.558 2.493 0 40 IEAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 13674127 OPEAUXPWWZVAJU-CQSZACIVSA-N 448.497 2.428 0 40 IEAB CCCCN(C(=O)c1ccc(N2CCCC2=O)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14719923 JMCUATMMWPYSFG-UHFFFAOYSA-N 441.532 2.349 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 18762733 QHMYGEYMFQBPGG-UHFFFAOYSA-N 446.481 2.298 0 40 IEAB COc1ccc(CC(=O)N[C@H]2C[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H]32)cc1OC 19211739 VZRAGXRVWSTKCR-HOJAQTOUSA-N 444.553 2.380 0 40 IEAB COc1cc(CN2CCc3nc(N4CCOCC4)nc(O)c3CC2)ccc1OC(C)C 19450776 MTLSHHSJWGPNTA-UHFFFAOYSA-N 428.533 2.415 0 40 IEAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 19552902 RRGMXNXXIUMAOX-UHFFFAOYSA-N 427.505 2.493 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)nc2c1CC(=O)N2Cc1ccccc1 19743868 KAPJRLSGJJVCAC-LJQANCHMSA-N 447.539 2.203 0 40 IEAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)n2)ncc1C(=O)Nc1ccc(F)cc1 19755095 KBKUTLWPBKLNDX-SFHVURJKSA-N 436.447 2.247 0 40 IEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCCN2CC(=O)N(C)C)cc1 19766908 LWTJEAADQMUJDA-FQEVSTJZSA-N 425.533 2.339 0 40 IEAB CCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(OCC)ccc2[nH]c1=O 19824518 GGVVFYNXBRGJHI-UHFFFAOYSA-N 432.590 2.346 0 40 IEAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(CCOc2ccc(Cl)cc2)CC1 23761864 AMDXNRGSSPPNMX-UHFFFAOYSA-N 426.904 2.342 0 40 IEAB CC(=O)N[C@@H](CC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)c1cccs1 26201547 LPBXJWYFAPSYKW-SFHVURJKSA-N 437.587 2.460 0 40 IEAB COC(=O)c1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)cc1 31808415 FMZQZRWHAJZJIN-MRXNPFEDSA-N 435.469 2.408 0 40 IEAB C[C@@H](NC(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)c1ccc(F)cc1F 32946609 QOXIVFTWEKHTOZ-SNVBAGLBSA-N 440.497 2.468 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 40149810 HXLHFDATRVLLCW-UHFFFAOYSA-N 448.522 2.232 0 40 IEAB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@@H](CO)NC(=O)c1ccccc1 40156479 VNUWSIWECVXMTE-MRXNPFEDSA-N 435.274 2.030 0 40 IEAB COc1ccc(OC)c([C@H](c2nnnn2C2CCCCC2)N2CCC(C(N)=O)CC2)c1 57669541 SDKTYSRTVFUKAC-HXUWFJFHSA-N 428.537 2.482 0 40 IEAB COc1ccc(NC(=O)NCc2cccnc2N2CCOCC2)cc1N1CCCC1=O 58071435 OOOCZDQPGDEHDA-UHFFFAOYSA-N 425.489 2.375 0 40 IEAB O=C1c2ccccc2C(=O)N1C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 66348610 FKZUTWSVQLXKQE-OAHLLOKOSA-N 425.416 2.284 0 40 IEAB biogenic,in-vitro CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccccc1OC 67287455 UYFCAJYZUVLUDS-QRWLVFNGSA-N 445.516 2.141 0 40 IEAB O=C(NCCCN1CCCCCC1=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 70019240 ZQXCXKRCBHSUFA-WOJBJXKFSA-N 438.528 2.169 0 40 IEAB C[C@H](CCc1ccco1)NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326379 IIZWWZFAVZCAPH-LNPFQXMTSA-N 439.516 2.065 0 40 IEAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)Cc2cccc(O)c2)CC1 72335896 QJDDZXROKYKPDW-UHFFFAOYSA-N 444.557 2.135 0 40 IEAB COC(=O)[C@](C)(c1ccccn1)N(C)C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 95462365 IUJRZDGZNVBRJH-HJPURHCSSA-N 425.485 2.298 0 40 IEAB CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)[C@@H](COC)Cc1ccccc1 106922828 GAYVGKFNXAUBIK-WOJBJXKFSA-N 448.589 2.069 0 40 IEAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O 222690153 XFWNSTGGRBLZLN-UHFFFAOYSA-N 432.477 2.296 0 40 IEAB CN(C(=O)CC1(CC(=O)O)CCCC1)[C@H]1CCCC[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O 257224292 FBDZHEWNNLNQPS-QMTMVMCOSA-N 444.536 2.137 0 40 IEAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1Cc1ccccn1 306123577 AQRWHWFOWGMHBA-UXHICEINSA-N 440.500 2.452 0 40 IEAB O=C(NCc1ccccc1)c1cn2c(nc1=O)[C@]1(CCN(C(=O)c3ccccc3)C1)CC2 306136069 PIGDUWJPTQMECX-VWLOTQADSA-N 428.492 2.361 0 40 IEAB O=C(c1ccc2nccn2c1)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 1772595309 LQOTUUAXMIMSOE-OAQYLSRUSA-N 445.523 2.010 0 40 IEAB CC(C)c1nc(CC(=O)N2CC[C@H]3C[C@H](CN4CCC5(CCOCC5)C4)O[C@H]3C2)no1 2056226194 MQRKMTTXVAFTFT-OTWHNJEPSA-N 432.565 2.244 0 40 IEAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 2233272 YSNJFXPIKZPARO-LBPRGKRZSA-N 438.513 2.332 0 40 IEAB COc1ccccc1N1CCN(CC(=O)N2CCN(Cc3ccccc3F)CC2)CC1 7114695 UOMWAMVUUBPXMO-UHFFFAOYSA-N 426.536 2.301 0 40 IEAB COc1ccccc1-n1cnnc1SCC(=O)N1CCN(C(=O)c2cccs2)CC1 8720808 MFODMLOUMWGGFC-UHFFFAOYSA-N 443.554 2.414 0 40 IEAB COCCn1c(=O)c2c(nc3n2CCN3c2ccc(Oc3ccccc3)cc2)n(C)c1=O 8725380 GJYMGQCBLWHHDJ-UHFFFAOYSA-N 433.468 2.487 0 40 IEAB COc1ccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccc(C)cc4)cnc32)cc1OC 9016261 IEJCOPOIOVRIIJ-UHFFFAOYSA-N 447.495 2.397 0 40 IEAB CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cccc(C)c1 9631841 XOQNVCRZBKLBRK-UHFFFAOYSA-N 445.570 2.331 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)N(C)Cc2ccccc2)cc1 11718470 NNBBZQDWGPZLFM-FQEVSTJZSA-N 430.526 2.350 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCCO4)cc1 12080590 NIYFJKBQUVEOHV-FMQUCBEESA-N 433.511 2.002 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)C2)c2sccn12 12087565 AOIKQRZFGSZXKL-CQSZACIVSA-N 434.543 2.137 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3Cc4ccccc4C[C@@H]3C(=O)N3CCCC3)ccc2N1 12815433 NZAIMAJWWJTPFQ-OAQYLSRUSA-N 439.537 2.309 0 40 IEAB CN(C(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCCC1 13628796 KTTVLAPAVTXSBA-UHFFFAOYSA-N 435.590 2.385 0 40 IEAB COC(=O)C1=NN(C(C)(C)CC(C)=O)[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12 13785773 CEAKHTKIMZBGSD-HIFRSBDPSA-N 440.283 2.454 0 40 IEAB COc1ccc(C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccccn3)CC2)cc1 16637878 NVSCLYTWWWPXEU-IBGZPJMESA-N 428.558 2.291 0 40 IEAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)CN3CCOCC3)CC2)cc1 19695117 BGXZYUKTGNIMCA-UHFFFAOYSA-N 439.560 2.256 0 40 IEAB Cc1cc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1-n1cnnn1 20121290 RNHBFHJKYLEBKM-UHFFFAOYSA-N 432.937 2.131 0 40 IEAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cnc3ccccc3n2)c(=O)[nH]c1=O 21892655 CPABGTMQGUVRDE-UHFFFAOYSA-N 434.456 2.302 0 40 IEAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)c1 22851278 JFVFSCWYARIVPT-FQEVSTJZSA-N 438.528 2.076 0 40 IEAB COC(=O)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccc(C)cc1 25457876 WIQRNJAIJQDZOP-FDDCHVKYSA-N 441.459 2.322 0 40 IEAB CCCn1nc(C(=O)N2CCN([C@@H](C(=O)OCC)c3ccc(Cl)cc3)CC2)ccc1=O 32850851 QULBTNODPFZBBZ-HXUWFJFHSA-N 446.935 2.369 0 40 IEAB CCN1CCN(C(=O)[C@H](C)OC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 32858522 VUWLXIVOMRVMKO-BLLLJJGKSA-N 425.938 2.239 0 40 IEAB Cc1noc(C)c1CN1CCN([C@@H](C(=O)O)c2cn(C)c3cc(C(=O)O)ccc23)CC1 36354335 PHXXAZZKWRCMNY-HXUWFJFHSA-N 426.473 2.425 0 40 IEAB Cn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2ccc(Cl)cc2F)c1=O 57520561 SNISFAJKCUVCFQ-UHFFFAOYSA-N 437.884 2.188 0 40 IEAB CCN(CC)c1ncc2c(=O)[nH]c([C@H]3CCCN(C(=O)c4cn5cccnc5n4)C3)cc2n1 57775387 RTTWGPLIKBJCMU-HNNXBMFYSA-N 446.515 2.227 0 40 IEAB COC(=O)c1ccc(OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 57853184 ACVFWNYHWOVPDM-HNNXBMFYSA-N 429.922 2.464 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Nc2ccc(-n3cncn3)cc2C(F)(F)F)C1 58161462 JKBVYDORJDJGBU-LBPRGKRZSA-N 446.455 2.079 0 40 IEAB CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccc(OC)c(OC)c4)ncn3n2)cc1 67208926 OCIDMVGFJJJZMH-UHFFFAOYSA-N 447.495 2.454 0 40 IEAB CCN(C(=O)CN(C)Cc1nc([C@H]2CC(=O)N(C)C2)cc(N(C)C)n1)c1cccc(C)c1 72352045 GSMAXHPOTCIVFT-SFHVURJKSA-N 438.576 2.282 0 40 IEAB C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 100234237 CIFNHTFCARQDLZ-DKICVRJWSA-N 425.533 2.292 0 40 IEAB Cc1cc(-c2ccncc2)nn1CCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 217868850 AYISCFJBZAGUQX-UHFFFAOYSA-N 439.541 2.468 0 40 IEAB C[C@H](NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C)c1ccc2c(c1)OCCO2 222705194 PYNBTIVPXFKWQA-AWEZNQCLSA-N 437.493 2.087 0 40 IEAB COC(=O)c1ccc(CS(=O)(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)cc1 223658390 XFLFYTYKUBSQRW-UHFFFAOYSA-N 431.470 2.494 0 40 IEAB CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224826824 LPENZNOVYOMRSA-UHFFFAOYSA-N 435.454 2.003 0 40 IEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 225016581 ZNLAKVRIRMWFMW-MRXNPFEDSA-N 433.530 2.325 0 40 IEAB CN1CCN(S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)CC1 225826565 GSVFUOHUOMKJHJ-UHFFFAOYSA-N 436.346 2.033 0 40 IEAB CN1CCn2c(C(=O)NCCc3cccnc3)nnc2C12CCN(Cc1ccccc1)CC2 306135507 OTKFPNUHPXTFRW-UHFFFAOYSA-N 445.571 2.082 0 40 IEAB CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 408635863 LGTXMPLNSPHEDQ-UHFFFAOYSA-N 445.585 2.407 0 40 IEAB COc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1NC(C)=O 575426176 NYRGBAKFEJPRCG-MRXNPFEDSA-N 436.511 2.160 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 585305235 VBMVLEFESOYRJS-AWEZNQCLSA-N 429.420 2.444 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 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2.176 0 40 IEAB NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)C1 13149738 ZZQXZJHDSUMALU-INIZCTEOSA-N 447.944 2.429 0 40 IEAB CCCN1CCN(C(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 17271996 XQLYQAQFGKHPOJ-FQEVSTJZSA-N 449.555 2.486 0 40 IEAB O=C(NC1CC1)[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccccc1 17712173 INCQRERAJIXSSL-ZHRRBRCNSA-N 436.464 2.374 0 40 IEAB NC(=O)[C@@H]1CCCN(C(=O)CN2C[C@H](c3ccc(Cl)cc3)[C@@H](c3csnn3)C2)C1 19336303 XEOWKWLOCQJPSD-OIISXLGYSA-N 433.965 2.098 0 40 IEAB Cc1nonc1C(=O)N1CC[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702206 VQXDZIRIPWQJJP-CYBMUJFWSA-N 427.486 2.090 0 40 IEAB CC(=O)N1CCC[C@@H](c2nc(CN(C)S(=O)(=O)Cc3ccccc3)cc(N(C)C)n2)C1 19709735 XBQPGRZWOOETQY-LJQANCHMSA-N 445.589 2.230 0 40 IEAB O=C(NCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1Br 20734062 ZFYZQPQJQMNSNP-CQSZACIVSA-N 430.302 2.348 0 40 IEAB CC(=O)c1sc2nc(CN3CCN(Cc4cn5ccccc5n4)CC3)[nH]c(=O)c2c1C 22926290 SDQNMJIYGCRDEQ-UHFFFAOYSA-N 436.541 2.461 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)ccc1OC 23607462 JOBKJBTZJVDRGV-UHFFFAOYSA-N 438.575 2.422 0 40 IEAB CCOc1cc(C(=O)NCc2cccc(OC)c2)ccc1OCC(=O)N1CCOCC1 24764393 SPCRDKPCNIWPDR-UHFFFAOYSA-N 428.485 2.262 0 40 IEAB COC(=O)c1occc1CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 27354275 XSQCPJVAAVWLRM-UHFFFAOYSA-N 448.419 2.471 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ccc(OC)nn3)c2C(F)(F)F)C1 29570286 HEDXJBMCJZPQHJ-NSHDSACASA-N 427.383 2.105 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2nc(-c3ccccc3)no2)cc1 32721628 HMAGVGSEJZANIT-ZDUSSCGKSA-N 429.454 2.349 0 40 IEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)NCc1ccc(OC)c(OC)c1 34745973 ROZYVAQUULLFLI-UHFFFAOYSA-N 446.500 2.214 0 40 IEAB COc1ccc(OC)c2c1CN(CC(=O)N1CCN(Cc3ccccc3C)CC1)C[C@@H]2O 40012132 CCKKQXWVHXZITQ-NRFANRHFSA-N 439.556 2.206 0 40 IEAB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)NCCc1ccccc1)CC(=O)N2 40400069 JZVZSUHZCBYDMO-HNNXBMFYSA-N 433.468 2.307 0 40 IEAB C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3[C@H](O)[C@@]21C 50197186 KJPDWMMNIXDJJC-VHUVZOMWSA-N 428.529 2.322 0 40 IEAB biogenic COc1ccc(/C=c2/sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)cc1OC 68561520 BHUIIQIJQMRWQD-VCHYOVAHSA-N 425.466 2.400 0 40 IEAB Cc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 72325737 HHKWLQZNWMMMCW-UHFFFAOYSA-N 439.541 2.458 0 40 IEAB COc1ccccc1CC(=O)N[C@H](C)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394889 NAIRYANIWDTHPT-YLJYHZDGSA-N 425.529 2.094 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3O[C@@H](C)C(=O)OC)C2=O)o1 108120738 SWPYQRLVCKFUJG-GQVHDAKQSA-N 428.397 2.099 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN1C(=O)c2ccccc2C1=O 222814473 KTTHCCAFXGKWBH-MRXNPFEDSA-N 437.496 2.235 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223031125 KYPOLSBHSRCCDQ-IBGZPJMESA-N 449.548 2.454 0 40 IEAB Cc1ccc(N([C@@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 224721603 CYOPJKWQHUAWLC-IBGZPJMESA-N 445.585 2.298 0 40 IEAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)C2)on1 253600546 SBOSVFAJZBHCFC-DMFRYWHDSA-N 449.511 2.177 0 40 IEAB COc1ccccc1-c1cc(C(=O)N2CCC(n3c(O)nc4ncccc4c3=O)CC2)n[nH]1 390829923 HNTLVNFEUMWUMU-UHFFFAOYSA-N 446.467 2.373 0 40 IEAB Cn1c(=O)n(C)c2cc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(C)(=O)=O)ccc21 408617740 IZGYSNDOMASYEW-UHFFFAOYSA-N 440.884 2.074 0 40 IEAB CCOCCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1 409137161 VKGCXLAEFFSWQA-UHFFFAOYSA-N 436.530 2.442 0 40 IEAB O=C(Nc1cccc(N2CCCCS2(=O)=O)c1)[C@H](Cc1ccccc1)n1cnnn1 524733541 VARVLGMMGINEJQ-IBGZPJMESA-N 426.502 2.026 0 40 IEAB O=C(Cn1nc2n(c1=O)C(=O)N(c1ccccc1)C2)NCc1ccc(Br)cc1 1547200988 FXYUZVMOWNHXCM-UHFFFAOYSA-N 442.273 2.112 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(C)CC2)C12CN(Cc1ccccn1)C2 1549167934 RYLJLBWCPUCWJG-QHCPKHFHSA-N 447.583 2.058 0 40 IEAB CO[C@H]1CN(C(=O)c2sc(C)nc2C)CCCCc2ccccc2OC[C@@H](O)[C@H]1O 2037971333 MPACVCXWVTWYHR-YZGWKJHDSA-N 434.558 2.354 0 40 IEAB O=C(NCc1ccon1)[C@H]1C[C@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226494 SHTCMMFYXIKYAB-IEBWSBKVSA-N 425.407 2.370 0 40 IEAB Cc1ccc(N(C[C@H](O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccc(C)cc2)cc1 1303230 IZPRAKDROYCAJQ-GOSISDBHSA-N 445.541 2.190 0 40 IEAB COCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 2938192 KQLOQSLQDIYKGJ-KRWDZBQOSA-N 441.347 2.101 0 40 IEAB CSc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 3557089 AIJVBMXFGJIWJP-UHFFFAOYSA-N 434.539 2.326 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c(C)c1 8586376 BEXOXAVTMFDCNE-UHFFFAOYSA-N 425.510 2.292 0 40 IEAB CCOC(=O)CN(C(=O)COC(=O)c1nn(CC)c(=O)c2ccccc12)c1ccccc1 8806859 FMYTYKHJUQFIAN-UHFFFAOYSA-N 437.452 2.170 0 40 IEAB COc1ccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)cc1 8848404 GSOPQYBWIWDJNT-FQEVSTJZSA-N 430.848 2.464 0 40 IEAB COc1ccccc1[C@@H](O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 9096850 VVSSPDDEKBQXBU-JOCHJYFZSA-N 447.557 2.419 0 40 IEAB Cc1cccc(C)c1-n1nnnc1C1(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)CCCCC1 9186314 KONMQGRNBLAWEG-KKFFFLSNSA-N 449.511 2.305 0 40 IEAB Cc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N(C)C)nc(N2CCCCC2)n1 9202009 FLTVBUMKMCWETM-UHFFFAOYSA-N 448.955 2.464 0 40 IEAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nnc(Cc2ccccc2F)n1N 9507263 VAILJGKTHGVNBJ-UHFFFAOYSA-N 446.483 2.050 0 40 IEAB COCCn1c(SCC(=O)Nc2nnc(C)s2)nc2c([nH]c3ccccc32)c1=O 9518314 ZZGLJMOYLPACQQ-UHFFFAOYSA-N 430.515 2.415 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2cc(Cl)ccc2C)cc1 10283370 RMHIETAASRWAAZ-UHFFFAOYSA-N 449.960 2.453 0 40 IEAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 10756143 JIGSTIDWGAUOOT-UHFFFAOYSA-N 442.537 2.370 0 40 IEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 10785464 BQQMOJPWUZCBPS-UHFFFAOYSA-N 440.525 2.165 0 40 IEAB CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1)[C@H]1CCS(=O)(=O)C1 10958213 XXHUDVOFUFNPOI-ZFWWWQNUSA-N 435.571 2.248 0 40 IEAB C[C@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 11194127 NNZXIUJWBKFODD-CYNRKNSPSA-N 443.275 2.273 0 40 IEAB O=C(CCn1ccc(=O)[nH]c1=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 12085329 JBBIPQIAQHOACL-LXZKKBNFSA-N 437.418 2.404 0 40 IEAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)N1CCC[C@@H](C(N)=O)C1)CC2 12599943 ABKADFQJXTULOI-DVECYGJZSA-N 437.540 2.375 0 40 IEAB COc1ccc2c(CC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)coc2c1 12695730 MIEXEMXQRBUVCX-UHFFFAOYSA-N 434.452 2.127 0 40 IEAB COC(=O)C1(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CCCCC1 12933334 JHVVZJZVIJEMOI-UHFFFAOYSA-N 437.290 2.427 0 40 IEAB Cc1c(NC(=O)CSc2nnc(-c3cccs3)n2N)c(=O)n(-c2ccccc2)n1C 13134290 LDKFANIVPIQDLB-UHFFFAOYSA-N 441.542 2.249 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1 13146074 XZHWNMHYHVWHEG-UHFFFAOYSA-N 448.497 2.284 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 13568102 UOWKIJFRGBMALF-ZDUSSCGKSA-N 435.889 2.156 0 40 IEAB COc1ccccc1CN1CCN(S(=O)(=O)c2cnc(-c3ccncc3)nc2C)CC1 19552914 GOIAOVGUBZXMGG-UHFFFAOYSA-N 439.541 2.362 0 40 IEAB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3ccccc3F)CC1)C2=O 19699563 XDJTWRUOLDVHEN-UHFFFAOYSA-N 432.496 2.333 0 40 IEAB CCN(CC)C(=O)CN1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19702641 QNNLSMOELCQNST-KRWDZBQOSA-N 446.573 2.010 0 40 IEAB CNc1nc([C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)C2)nc2c1CN(C)CC2 19710453 SVAMTEMWWIYWKM-INIZCTEOSA-N 445.589 2.392 0 40 IEAB CCOc1ccccc1NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)cc1 22228611 PLVGVHOBWOJJPU-UHFFFAOYSA-N 447.557 2.413 0 40 IEAB CS(=O)(=O)N1CC[C@H](C(=O)NCc2ccc3c(c2)OCO3)Oc2ccc(Cl)cc21 38858823 RRDCLEWRMPVCPC-QGZVFWFLSA-N 438.889 2.302 0 40 IEAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc(S(=O)(=O)N2CCOCC2)o1 40106875 CCRLOZNXXIVLAP-UHFFFAOYSA-N 443.481 2.418 0 40 IEAB COC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 56997952 GNCVZDFYJWFWEU-UHFFFAOYSA-N 444.919 2.004 0 40 IEAB O=C(NCCS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 58440120 WQEDMKNEZXFOMX-UHFFFAOYSA-N 445.522 2.086 0 40 IEAB COC(=O)c1cccc(NC(=O)CN2N=C(c3nc(-c4ccccc4)no3)CCC2=O)c1 71328295 VHNUGEIEWOXMHN-UHFFFAOYSA-N 433.424 2.488 0 40 IEAB Cc1cc(C)n(C[C@H](C)C(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)n1 72338829 WHYSAYYDRMZAOK-VBKZILBWSA-N 431.562 2.105 0 40 IEAB COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@@H](CNC4CCN(C(C)=O)CC4)O3)no2)cc1 77263304 UOMOYNOKVQBQAV-WPFOTENUSA-N 443.544 2.402 0 40 IEAB biogenic,in-vitro COc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1OC 95476608 SYRFSHWAHRKJIU-AWEZNQCLSA-N 426.448 2.431 0 40 IEAB COc1ccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)n2)cc1 219014845 PUFMNCFLZDBHFE-UHFFFAOYSA-N 444.513 2.333 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223209487 GHEOGCZPXMRBBO-FQEVSTJZSA-N 449.548 2.454 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2)cc1)Cc1ccccc1F 224518448 LCIZDINZNXSZCI-UHFFFAOYSA-N 433.549 2.500 0 40 IEAB COC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224897809 IXKVMWLAKWMCPS-UHFFFAOYSA-N 434.470 2.108 0 40 IEAB C[C@@H]1CCCN(CCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 225539919 IJYFLDPQZGPZKM-QZTJIDSGSA-N 425.570 2.465 0 40 IEAB Cn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(CN4CCCC4=O)cc3)ccc21 225681391 AESBZGMSWXUHFP-UHFFFAOYSA-N 431.539 2.201 0 40 IEAB COC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)c(N(C)S(C)(=O)=O)c2)c2ccccc2O1 225971716 FZXNZWZWXMJDAW-KRWDZBQOSA-N 438.889 2.317 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@](O)(c2ccoc2)c2cccs2)cc1 240068155 SKRMLCGXEBWJLS-FQEVSTJZSA-N 446.506 2.209 0 40 IEAB O=C1CCCCCN1CC(=O)N1CCO[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 257230104 GAVWNUCNOYCGID-NRFANRHFSA-N 444.507 2.473 0 40 IEAB Cc1nc([C@H]2CCN(C(=O)Cn3cccn3)C2)nc2c1CC(=O)N2Cc1ccccc1F 257253560 JZJVIISTRPTJDG-KRWDZBQOSA-N 434.475 2.226 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 257278726 ODJVBSPNQLRSHE-LJQANCHMSA-N 426.514 2.130 0 40 IEAB CN1CCCN([C@H]2CCN(Cc3cc(C(C)(C)C)ccc3OCC(=O)O)CC[C@@H]2O)CC1 257308428 TWQZQTZNGVOKTQ-VXKWHMMOSA-N 447.620 2.410 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CCC[C@](C(N)=O)(c2ccccn2)C1 257329983 XMGPWUQBDGIRBM-RUZDIDTESA-N 446.555 2.401 0 40 IEAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)cc1C 575423241 OTRUKJOEMKGSIW-GOSISDBHSA-N 436.555 2.330 0 40 IEAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 588030393 XYPLFWNQSZNEBS-QHCPKHFHSA-N 430.508 2.359 0 40 IEAB C[C@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)N1C(=O)c2ccccc2C1=O 1777558 TVIMWDPAMUQXEJ-SNVBAGLBSA-N 429.479 2.323 0 40 IEAB COc1cc2oc(=O)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(C)c2cc1OC 2159521 JCQZIXYSTBCDCD-KRWDZBQOSA-N 441.436 2.179 0 40 IEAB biogenic CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)cc1 3434746 IZGMJPVPIKDARP-UHFFFAOYSA-N 438.436 2.421 0 40 IEAB Cc1cc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2c(C)c(C)c(=O)oc2c1 9446931 PIQFIXNTFLLSLP-UHFFFAOYSA-N 444.509 2.103 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(CN2CCCC2=O)cc1 9463486 MUXITSGAFJYFEA-UHFFFAOYSA-N 443.525 2.082 0 40 IEAB Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 9488017 IVFLYKSMIKHCIY-OAHLLOKOSA-N 444.509 2.183 0 40 IEAB NC(=O)c1nn(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c(=O)c2ccccc12 9637831 XTUZAJTWVFBVCL-INIZCTEOSA-N 433.493 2.469 0 40 IEAB CN1CCN(c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1 9789693 QJJKZFCBPUOKIX-UHFFFAOYSA-N 428.558 2.475 0 40 IEAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc(NC[C@@H]2CCCO2)s1 9846660 USZCPOXDFXIRLF-NSHDSACASA-N 426.545 2.066 0 40 IEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)C2=O 9913120 AGZSJBLZOHTGLB-MWTRTKDXSA-N 426.517 2.364 0 40 IEAB CCN(CC)C(=S)SCC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCCOC 9963949 PDWKLDOWSBGBCB-UHFFFAOYSA-N 447.604 2.257 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)s1 10220066 RISUTCRBFHOUFC-UHFFFAOYSA-N 425.919 2.086 0 40 IEAB COCCn1c(-n2nc(C)cc2C)nc2c1c(=O)n(Cc1cc(C)ccc1C)c(=O)n2C 12231850 GGFOGVKDIYLFEE-UHFFFAOYSA-N 436.516 2.011 0 40 IEAB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 12749840 ZSUXKEQJQZXQRQ-UHFFFAOYSA-N 444.494 2.168 0 40 IEAB CC(C)c1ccc(-n2nnnc2SCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 12752492 DVKPHSXMYBJZIL-UHFFFAOYSA-N 432.531 2.164 0 40 IEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 12816792 INPLTFXIPKDJEB-UHFFFAOYSA-N 438.465 2.107 0 40 IEAB CCn1cc(C(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)c(=O)c2cc3c(cc21)OCO3 13608967 DXOZIQPPYJAFRR-FQEVSTJZSA-N 439.468 2.414 0 40 IEAB COc1ccc(-c2coc3cc(OCC(=O)N[C@H]4C=CS(=O)(=O)C4)ccc3c2=O)cc1 13730983 POSPEMHLLKTNGP-HNNXBMFYSA-N 441.461 2.274 0 40 IEAB biogenic O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 15386141 SDRLVWOWMKHNPF-ZDUSSCGKSA-N 437.743 2.114 0 40 IEAB CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15959483 VKHSBEXGLVXDJD-MTXNFPGFSA-N 435.549 2.403 0 40 IEAB biogenic Cc1cc(Br)ccc1NC(=O)CNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 17958705 MHILWUFOOLFWPA-GASCZTMLSA-N 448.317 2.154 0 40 IEAB CS(=O)(=O)N1CCN(C(=O)COc2ccc3cc(Br)ccc3c2)CC1 18267374 XYRGXYJMADQTMA-UHFFFAOYSA-N 427.320 2.085 0 40 IEAB COCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc(=O)[nH]2)CC1 19592748 JRYJNXRESOPTEF-GOSISDBHSA-N 430.549 2.019 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccc(OC)cc3)C1)C2=O 19699987 PVADPCPXWDTWSZ-SFHVURJKSA-N 428.533 2.096 0 40 IEAB COc1ccccc1S(=O)(=O)N1CCO[C@@H](c2c(C(N)=O)sc3ncccc23)C1 19703256 WDJUGSXMUMKTSL-CQSZACIVSA-N 433.511 2.166 0 40 IEAB CC(C)c1ccc(OCc2cc([C@H]3CCN(S(=O)(=O)N4CCOCC4)C3)n[nH]2)cc1 19704604 PFUXKUKKEJWCHV-SFHVURJKSA-N 434.562 2.478 0 40 IEAB Cn1cc(C(=O)N2CCC(c3ccc(C(=O)NCc4ccccc4F)c(N)n3)CC2)cn1 19765972 LVXGXGWTSGFXFX-UHFFFAOYSA-N 436.491 2.486 0 40 IEAB NC(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)C1 23844764 SPYHPKFHRHDHBY-FQEVSTJZSA-N 442.585 2.427 0 40 IEAB O=C([C@@H]1COc2ccccc2O1)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1 26870595 ORMYEJOMPJOBJR-IBGZPJMESA-N 440.887 2.061 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCCn1c(=O)oc2ccccc21 30064550 HVINARMSOUNYJD-UHFFFAOYSA-N 429.498 2.214 0 40 IEAB O=C(CCNC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(C(F)(F)F)c1 36360940 HRUZFPATMYDZMD-SNVBAGLBSA-N 427.832 2.174 0 40 IEAB CC(=O)Nc1cccc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)c1 40103984 KXBXDAALDNOVAQ-UHFFFAOYSA-N 437.566 2.304 0 40 IEAB C[C@H]1CCc2c(sc3nc(CCN4CCC([C@]5(C)NC(=O)NC5=O)CC4)nc(N)c23)C1 72308909 KFDAYEYHOXTIAP-YTEVENLXSA-N 442.589 2.251 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)Nc3cccc(F)c3)C2=O)cc1Cl 101168830 NJPSNMPAABTJEO-SJORKVTESA-N 431.811 2.420 0 40 IEAB Cc1ccc(/C=c2/s/c(=C/C(=O)c3ccco3)n(CC(=O)NC3CCCC3)c2=O)cc1 105049546 SVKWJOHRFJLHLZ-WFTGYDCDSA-N 436.533 2.362 0 40 IEAB COc1ccc(-c2nnc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)s2)cc1 223129081 HJLVXRZRVVFGMZ-INIZCTEOSA-N 446.510 2.379 0 40 IEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCOc1ccccc1OC 225141318 WGBGYGKBMJSLEB-SFHVURJKSA-N 436.530 2.444 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC(N)=O)cc3)CC2)cc1C 226080797 QMFXADINBDBEBB-UHFFFAOYSA-N 445.541 2.071 0 40 IEAB Cc1ocnc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 257237004 HEUPRURCKINNNH-PXNSSMCTSA-N 444.507 2.196 0 40 IEAB NS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2Cc2cccc(-c3ccccc3)c2)c1 257306216 STIIOMMSSZAOLS-QFIPXVFZSA-N 449.532 2.184 0 40 IEAB CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CN(S(=O)(=O)c1ccc(F)c(C)c1)CC2 257325945 WVCIRUKILVXRDI-HNNXBMFYSA-N 447.536 2.049 0 40 IEAB O=C1C[C@@]2(CCN(c3nnc(-c4nnc(O)c5ccccc45)n3Cc3ccccc3)C2)CN1 555156717 ALQYZVRFEXLPHE-DEOSSOPVSA-N 441.495 2.359 0 40 IEAB COC(=O)[C@@H]1CCCN1C[C@H]1CC2(CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CO1 585103732 ITZJUDSXRABGNU-RTWAWAEBSA-N 446.544 2.353 0 40 IEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)c1 1668867482 SQWRSMPPBPCMGJ-LJQANCHMSA-N 446.573 2.234 0 40 IEAB O=C1c2ccccc2C(=O)N1CCN1CCC(Oc2ncc(Br)cn2)CC1 1888869380 DINDBYSCIWMRKL-UHFFFAOYSA-N 431.290 2.379 0 40 IEAB O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2C[C@H](c3ccccc3)CC2=O)c1 1440672 FEERBRKMCUKFQI-OAHLLOKOSA-N 428.495 2.495 0 40 IEAB CCOc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=S)NCCOC)cc2c1 6196625 ONSAEGAYFGWPNS-UHFFFAOYSA-N 432.590 2.346 0 40 IEAB C[C@@H](NC(=O)CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc2c(c1)OCO2 8745759 YFHAYDSGSQPERL-FZKQIMNGSA-N 434.452 2.237 0 40 IEAB CCOC(=O)NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 9314807 GQWHESPHNTTZQG-UHFFFAOYSA-N 427.523 2.333 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(C)c(C)c1 9539436 PQSXEUZOVBNVRI-UHFFFAOYSA-N 440.543 2.134 0 40 IEAB O=S(=O)(c1cccc(Br)c1)N1CCN(C[C@@H](O)c2ccccc2)CC1 13130277 LQRUVCLHPDAMLT-GOSISDBHSA-N 425.348 2.489 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3nccs3)CC2)c1 14105024 IKMMWPBDUQWBDZ-UHFFFAOYSA-N 436.559 2.012 0 40 IEAB O=C(CSc1nnnn1-c1cccc(Cl)c1)NC(=O)Nc1ccc2c(c1)OCO2 15027085 GKPIFVJDFKVCER-UHFFFAOYSA-N 432.849 2.485 0 40 IEAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C(=O)O)C(C)C)CC1 15997059 OYPDPMMOPWYHGV-IAGOWNOFSA-N 441.569 2.390 0 40 IEAB CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(C)c3)c2=O)cc1 17123101 KXVORGMCVPMKBF-UHFFFAOYSA-N 439.493 2.282 0 40 IEAB Cc1ccc2nc(COC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)cc(=O)n2c1 17161559 OZXYURXEMILFOT-CQSZACIVSA-N 427.482 2.071 0 40 IEAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19591548 HFUCLGZNKJSBHV-RUZDIDTESA-N 446.507 2.267 0 40 IEAB COCC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)c3cccc(Cl)c3)[nH]c(=O)c2C1 19592903 XDFGJXXQMCVGOU-SFHVURJKSA-N 444.919 2.322 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cnn(C(C)C)c3)CC1)C2=O 19700678 KDMMBPDEZRCLNL-UHFFFAOYSA-N 444.580 2.113 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19740830 FZFWBKPHLHWVER-OAQYLSRUSA-N 449.555 2.497 0 40 IEAB COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2OC)cc1OC 20016396 LNZXIGWLKPZYPF-GFCCVEGCSA-N 442.921 2.349 0 40 IEAB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCc1ccc(F)cc1 22250503 HTNGODMXKIOHDW-UHFFFAOYSA-N 442.896 2.195 0 40 IEAB O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)c1ccccc1OC(F)(F)F 23401022 OLBFCHQQNKELIS-UHFFFAOYSA-N 435.424 2.118 0 40 IEAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 23458396 WPOWUIUGPYDQJK-UHFFFAOYSA-N 439.578 2.360 0 40 IEAB O=S1(=O)CC[C@H](S(=O)(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)C1 31772946 NFYPHLRMJNOHJH-INIZCTEOSA-N 449.959 2.102 0 40 IEAB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)c1O 32983179 IPMHUQFFUWNKII-UHFFFAOYSA-N 432.498 2.009 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)O)C2=O)o1 35375259 ZFJACSMDBRDEIM-LUHPIMIVSA-N 444.396 2.020 0 40 IEAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 57614616 UMCQOUSFDMYXGZ-AWEZNQCLSA-N 448.511 2.169 0 40 IEAB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](n2cccn2)C1 58291834 VPQFSZUASZIVAE-AEFFLSMTSA-N 429.546 2.344 0 40 IEAB CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCNC(=O)C[C@@H]3C(F)(F)F)cc2)c1C 95396692 AMHSGPDOUONTHS-MRXNPFEDSA-N 438.406 2.250 0 40 IEAB COc1ccc(CNC(=O)[C@H]2Cn3ccnc3C3(CCN(C(=O)C4CCC4)CC3)O2)cc1 96144716 VSLBWEBMFNQRBK-HXUWFJFHSA-N 438.528 2.225 0 40 IEAB COc1ccc(-c2noc(CNC(=O)c3cccc(N(C)S(C)(=O)=O)c3C)n2)cc1 222444372 UWILTTRSYOGEIU-UHFFFAOYSA-N 430.486 2.379 0 40 IEAB COC(=O)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c2ccccc2O1 222897885 LPPRDODESIHTFS-HXUWFJFHSA-N 444.509 2.027 0 40 IEAB Cc1cc(C)c(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1 224216045 SPLAYEGRRURGSM-UHFFFAOYSA-N 426.560 2.219 0 40 IEAB COCCCNC(=S)Nc1nc(N2CCOCC2)cc(N2Cc3ccccc3C2)n1 225900894 HKCIAAYMNQRIGQ-UHFFFAOYSA-N 428.562 2.156 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@@H]2[C@@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@]21O3 245229876 HYAMMVAHJFRONE-BKCLIDBKSA-N 443.588 2.443 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 245230728 XPWQOLVPEJXEGD-OCWLBIEKSA-N 429.561 2.053 0 40 IEAB COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)[C@H]4CCCO4)C3)nc(O)c2C1 248123614 GMGIAKDPRJDNNO-LAUBAEHRSA-N 438.528 2.244 0 40 IEAB Cc1c(C)n(C[C@@H](O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c2ccccc12 257230169 GBDKEXURFSLHNQ-HNNXBMFYSA-N 428.514 2.109 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CN(C(=O)CCn4nccc4C)CCO3)c2)cn1 257251103 JPJYTOHJGACMKN-JOCHJYFZSA-N 448.527 2.307 0 40 IEAB Cc1nc(Nc2cccc([C@@H]3CN(S(=O)(=O)c4cn(C)cn4)CCO3)n2)sc1C 257256630 KMGVAEUVHCDWPC-HNNXBMFYSA-N 434.547 2.394 0 40 IEAB COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 408655716 LVSZCTYGVBSZBM-OAHLLOKOSA-N 426.425 2.017 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1)c1ccccc1 409232628 RVKMYCDNLZQNQQ-KRWDZBQOSA-N 443.569 2.383 0 40 IEAB COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccco3)cc2)ncn1 2371503 IJXVMESYMSVXMF-UHFFFAOYSA-N 433.471 2.006 0 40 IEAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 3371183 FMTGCFFEUXYVFL-JXMROGBWSA-N 429.498 2.318 0 40 IEAB Cc1ccc(-c2cc(-c3nnc(SCC(=O)NC(N)=O)n3N)c3ccccc3n2)cc1 3450877 VBQIANQLQQQJHN-UHFFFAOYSA-N 433.497 2.470 0 40 IEAB CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCCC4)c2)CC1 3452878 BAYKSXDPKKXUKM-UHFFFAOYSA-N 448.570 2.127 0 40 IEAB O=C(O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 9495746 GGFHQXZUYSBKSC-UHFFFAOYSA-N 446.481 2.195 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 11795962 ASPCNHUNTFUJRJ-CYBMUJFWSA-N 437.499 2.312 0 40 IEAB COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 13383244 QIZNWMMOECVGAP-XRWSZIPKSA-N 428.485 2.080 0 40 IEAB biogenic CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NCCOC 13555071 GNLWQRNJZRIEOV-OYSHDIIGSA-N 433.574 2.329 0 40 IEAB C[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 13625933 XNKMLYQZHDGCHQ-YLJYHZDGSA-N 435.590 2.289 0 40 IEAB COC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 15193325 ZABVZBMFKXDMAP-UHFFFAOYSA-N 438.527 2.127 0 40 IEAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15988959 RJFJWJWGAQJHFA-MLHJIOFPSA-N 438.281 2.450 0 40 IEAB Cn1nccc1C(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19289131 KWBHSKBTHUUFKK-OAHLLOKOSA-N 438.557 2.143 0 40 IEAB COc1ccc(CN2CCc3nc([C@H]4CCN(C(=O)c5cnccn5)C4)nc(O)c3C2)cc1 19555569 UIWVAHNIABLBHD-KRWDZBQOSA-N 446.511 2.169 0 40 IEAB CN(C)C(=O)[C@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@@H]1c1ccnc(N2CCCCC2)n1 19581326 QLKWQYXDHNZDOU-FHWLQOOXSA-N 429.565 2.056 0 40 IEAB O=C(c1cc[nH]n1)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19695698 YZKCTQKHAQGRAQ-MRXNPFEDSA-N 426.498 2.311 0 40 IEAB CC(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1 19709648 LDMGZMKESZRGMK-SFHVURJKSA-N 431.581 2.312 0 40 IEAB Cc1nc([C@H]2CCCN2S(=O)(=O)N(C)C)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19740409 OHORSNDDDPIBNP-GOSISDBHSA-N 447.536 2.347 0 40 IEAB COc1ccc(CN(C)CC(=O)N2CCC(c3ccc(C(=O)N(C)C)c(N)n3)CC2)cc1 19765816 CGPKLTMRBOQQII-UHFFFAOYSA-N 439.560 2.212 0 40 IEAB COc1ccc(N(CC(=O)N[C@H](C)COc2ccccc2C)S(C)(=O)=O)cc1OC 22334274 LLQTXIIHHZGVKB-MRXNPFEDSA-N 436.530 2.362 0 40 IEAB CC[C@@H](NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22363513 CIBLVATXFAGCSG-GOSISDBHSA-N 442.534 2.263 0 40 IEAB O=C(NCCCNC(=O)c1ccccc1Br)c1nc2ccccc2c(=O)[nH]1 22470814 YYNYZYIXMVIMSN-UHFFFAOYSA-N 429.274 2.236 0 40 IEAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1 25072789 UAVKMRQULNZZDH-CQSZACIVSA-N 448.574 2.482 0 40 IEAB CSCC[C@@H](NC(=O)c1ccc(C)cc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12 25077069 GZYJGTSKUHDDQG-LJQANCHMSA-N 441.601 2.233 0 40 IEAB biogenic CCCn1c(=O)n(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 26935302 WJADDRYRVDCPTG-UHFFFAOYSA-N 436.512 2.286 0 40 IEAB CCN(CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C[C@@H]1COc2ccccc2O1 31174010 PUQTXPVZLPUXGV-MRXNPFEDSA-N 433.530 2.051 0 40 IEAB COc1ccc(S(=O)(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)c(C)c1C 35597317 KZHQKISXFFWGEI-UHFFFAOYSA-N 430.534 2.295 0 40 IEAB O=C(CN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1ccnn1C1CCCC1 36385070 ZBVMICBMUFBBLW-UHFFFAOYSA-N 431.562 2.084 0 40 IEAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2CN1 36548234 MOTHUJKQNSAOTL-NKKJXINNSA-N 446.551 2.205 0 40 IEAB biogenic CCOC(=O)N1CCN(C(=O)CCc2nnc3c4cc(-c5ccccc5)nn4ccn23)CC1 38487035 KAGXOLKXRGRMMQ-UHFFFAOYSA-N 447.499 2.277 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@H]3C3OCCO3)CC2)cc1C 69197301 GWAYTMNLUGYYCP-FQEVSTJZSA-N 436.574 2.458 0 40 IEAB CCOC(=O)c1csc(NC(=O)[C@H]2CCCN(c3cc(-n4cccn4)ncn3)C2)n1 70638094 DJMJEIUXEZFKMN-ZDUSSCGKSA-N 427.490 2.151 0 40 IEAB Cc1ccc(NC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 72314070 KSPCEBJICJGTOE-UHFFFAOYSA-N 438.550 2.094 0 40 IEAB COc1ccc(CC(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)cc1 72394906 JQLGKLMGSFEZSU-FXAWDEMLSA-N 425.529 2.094 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nnn(-c2ccc(F)cc2)n1 77100332 HHRXMSIGDMNHQL-UHFFFAOYSA-N 445.461 2.311 0 40 IEAB O=C(CCc1ccccc1)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 97151650 QABDZXHVZWORBI-QFIPXVFZSA-N 445.523 2.467 0 40 IEAB COc1ccc(CO[C@@H]2C3OC4O[C@H]2C(O)[C@H](O4)[C@@H]3OCc2ccc(OC)cc2)cc1 101027720 OOEMZLZGBFOQOC-XBNKKUFCSA-N 430.453 2.015 0 40 IEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2nc(-c3cccs3)no2)s1 223396492 KWGLEMUDQRVUKN-UHFFFAOYSA-N 428.521 2.113 0 40 IEAB Cc1cc(N2CC[C@@](O)(CNC(=O)CC3(CC(=O)O)CCCC3)C2)c2cnccc2n1 257267603 MIALMVBJOKWMTB-HSZRJFAPSA-N 426.517 2.421 0 40 IEAB CCc1ccc(C(=O)N2CC[C@H]3Cn4c(nn(Cc5ccccc5)c(=O)c4=O)[C@@H]3C2)cc1 306142781 XJTLPELMSLJSFY-LEWJYISDSA-N 430.508 2.275 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O 409259773 FBOKYUCDOCIVLE-UHFFFAOYSA-N 449.529 2.248 0 40 IEAB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2CCCN21 504661977 KRSYHPAEUURVAM-KAAUDJBISA-N 445.475 2.409 0 40 IEAB biogenic COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604404000 HTUDXIQYUDRDPO-MRXNPFEDSA-N 427.457 2.237 0 40 IEAB biogenic CSc1nc(C(F)F)cc(N2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)n1 1888857028 QCEYEPLYAVOTJK-LLVKDONJSA-N 425.427 2.421 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3CCC(COc4ccc5nccn5n4)CC3)ccc2N1 1888921952 PLBNXWBGEXMJCE-UHFFFAOYSA-N 441.513 2.094 0 40 IEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 9254379 ADDYSJDZLDBAQQ-KRWDZBQOSA-N 436.555 2.049 0 40 IEAB O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(c2ccc(F)cc2)CC1 9568781 PPBJOGOEIHYITM-QGZVFWFLSA-N 440.475 2.234 0 40 IEAB CC(C)c1ccc(OCC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 9570243 NWTHLEFSQOZPHM-UHFFFAOYSA-N 445.585 2.457 0 40 IEAB C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CC1 10210894 HZYQYMOHNFPOBV-ZDUSSCGKSA-N 446.481 2.083 0 40 IEAB Cc1nn(C)cc1[C@@H]1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)N(C)S(=O)(=O)N1 12131148 JHLZWOGJOTZZPR-UONOGXRCSA-N 432.333 2.254 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sccc21)Nc1ccc2c(c1)OCO2 13533085 BQNDXEUKZCEGNN-UHFFFAOYSA-N 425.422 2.233 0 40 IEAB COc1cc2c(c3oc(=O)c(CC(=O)N[C@H]4C=CS(=O)(=O)C4)c(C)c13)CCC(C)(C)O2 13726952 OWEQQBZIXCKZMQ-ZDUSSCGKSA-N 447.509 2.183 0 40 IEAB COc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CNC(=O)[C@H]1CCCO1)n2C 13728712 BIGJTJKWKBVXOV-HXUWFJFHSA-N 438.484 2.395 0 40 IEAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)[C@H](C)c3ccccc3)C1)C2=O 19699743 GFMHXJZOCIUDRI-MJGOQNOKSA-N 440.544 2.104 0 40 IEAB COc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22579237 PONZVSDMOFFJBA-OAQYLSRUSA-N 444.963 2.070 0 40 IEAB CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 23701497 LVHLOSRHKACKAG-FQEVSTJZSA-N 442.526 2.300 0 40 IEAB COC(=O)c1sc(NC(=O)CN2CCCc3c(C(N)=O)cccc32)c(C(=O)OC)c1C 32916313 ALNVJONJDZQSRD-UHFFFAOYSA-N 445.497 2.120 0 40 IEAB C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCN(S(=O)(=O)c2cccs2)CC1 34800087 ATVSNMTTWCVAJQ-LLVKDONJSA-N 433.477 2.499 0 40 IEAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1)C(=O)OC 36569513 GQOZIEFEUMVZSM-QAPCUYQASA-N 434.880 2.215 0 40 IEAB COc1ccccc1[C@@H](CNC(=O)CNC(=O)c1ccc2c(c1)OCO2)N1CCCCC1 40157492 MCUZZTUGGATCJZ-LJQANCHMSA-N 439.512 2.497 0 40 IEAB Cn1c(=O)c2c(nc(CN(Cc3ccccc3)Cc3ccccc3)n2CCCO)n(C)c1=O 57010944 FOVXTVLWEFQXCZ-UHFFFAOYSA-N 447.539 2.019 0 40 IEAB CN1CCN(CCNC(=O)Nc2cccc(Cn3cccnc3=O)c2)[C@H](c2ccccc2)C1 65529215 VCNVMTWQYLMNPQ-QHCPKHFHSA-N 446.555 2.402 0 40 IEAB C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326303 MSGKXUZRLGVXRO-JLCFBVMHSA-N 441.919 2.304 0 40 IEAB COc1ncc(C2(O)CCN(C(=O)C[C@H](C)n3nc(C)c(Cl)c3C)CC2)c(OC)n1 72337547 HWMLVLPWMDFTBL-LBPRGKRZSA-N 437.928 2.422 0 40 IEAB O=C(c1cncc(O)c1)N1CCC[C@H](c2nc(N3CCOCC3)ncc2-c2ccncc2)C1 72348035 BHQLMZRRRRBPFL-SFHVURJKSA-N 446.511 2.496 0 40 IEAB C[C@@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394923 XVGAMVDAZYBJSP-SJLPKXTDSA-N 429.492 2.061 0 40 IEAB O[C@@H]1[C@H](O)C[C@H](c2ccc(N3CCOCC3)nc2)[C@H]1NCc1cccc(C(F)(F)F)c1 77262006 LITJKCIJQHSQQQ-VURPSTOHSA-N 437.462 2.305 0 40 IEAB biogenic,in-vitro Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)Nc1nc(CCC(N)=O)cs1 89522507 QOVIPAVJPNJPMI-UHFFFAOYSA-N 441.439 2.206 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)NC(C)(C)CO)c(C)cc2C)cc1 95116938 GBLLUWXLSIQAGE-UHFFFAOYSA-N 440.587 2.486 0 40 IEAB Cc1nc2ccccc2n(CCCNC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)c1=O 95456633 OOZZPCXGROZWQU-OAQYLSRUSA-N 449.490 2.129 0 40 IEAB O=C(NCCc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccc2c(c1)OCCO2 101007722 QNRFJLGVOMITIJ-NPPFBWRTSA-N 442.537 2.358 0 40 IEAB Cc1c(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 113968226 OESNVGSBFDNTQY-OAHLLOKOSA-N 446.504 2.417 0 40 IEAB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 220214616 KVYHGWMFWILHMG-CYBMUJFWSA-N 436.486 2.268 0 40 IEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCC(C)CC1 222785210 NFINTGDAUMIQAJ-HXUWFJFHSA-N 425.595 2.478 0 40 IEAB CN(C)[C@H]1CC2(CCN(Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC2)OC[C@]1(C)O 257325223 WRZPKRDPTOGUTH-URXFXBBRSA-N 447.620 2.284 0 40 IEAB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccco3)c2=O)=N[C@H]1c1ccc2c(c1)OCO2 408731828 NFQLZBFZIAOSTG-DMVFFGLYSA-N 438.461 2.229 0 40 IEAB O=C1NC(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)C(=O)N1 409109624 IHWRYIDWGDVRCX-UHFFFAOYSA-N 426.226 2.116 0 40 IEAB CCC(=O)N1CCCN(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 545950013 FCZCVAUSRXFTLY-MRXNPFEDSA-N 440.466 2.460 0 40 IEAB Cc1cc(CN2C(=O)CC3(CCN(S(=O)(=O)c4ccccc4)CC3)n3nccc32)no1 1772596622 ZUUZYFMJBKOPCX-UHFFFAOYSA-N 441.513 2.296 0 40 IEAB O=C(c1cc2ccccc2oc1=O)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 1103469 MVYOJNOPOKKGBA-UHFFFAOYSA-N 430.416 2.498 0 40 IEAB biogenic CCSc1[nH]c(NC(=S)NC(=O)c2ccccc2Cl)c(C(N)=O)c1C(N)=O 1638059 MVEGETBHIZMUSC-UHFFFAOYSA-N 425.923 2.105 0 40 IEAB Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)NCCCN1CCCC1=O 2781576 DXQFNZDBPSUJON-UHFFFAOYSA-N 425.249 2.492 0 40 IEAB COc1cccc(N2C(=O)C[C@@H](N3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)c1 8694541 IKWSLUQTVLFFPL-QGZVFWFLSA-N 438.513 2.379 0 40 IEAB C[C@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 8825136 VKJBNPVUTZZLOQ-ACJTYDJDSA-N 440.418 2.486 0 40 IEAB CNC(=O)NC(=O)[C@H](OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1 9391987 UVGWNGOMNFAVCE-LJQANCHMSA-N 441.459 2.418 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC[C@H]1CCCO1 9451239 PDSJGGLQYLHPKJ-COALFUDDSA-N 431.558 2.083 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 9452962 RCOXOIANDIFCLC-NMLBUPMWSA-N 436.439 2.447 0 40 IEAB O=C(Nc1ccc(I)cc1C(=O)N1CCOCC1)c1cccnc1 9805439 CWQUFXKNJAZYQC-UHFFFAOYSA-N 437.237 2.411 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)C1 10603069 NLDJXMRRCDTHTK-IYBDPMFKSA-N 434.514 2.419 0 40 IEAB CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(OC)c(Br)c1)n2CCOC 12531556 CYGPDYFBGUIPHI-UHFFFAOYSA-N 437.294 2.381 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@H](NS(=O)(=O)c2ccccc2)C(C)C)CC1 12551518 CGAXVSXAZLVCGS-OAQYLSRUSA-N 431.558 2.347 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 12700752 SUNWHLKKVYMGRC-GJZGRUSLSA-N 448.317 2.106 0 40 IEAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12780684 GIAKAYYVCYEFLK-HXUWFJFHSA-N 435.496 2.291 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc(CC(=O)O)cs1 12979915 HXIHLECEBNVOGD-UHFFFAOYSA-N 429.545 2.060 0 40 IEAB CN(C(=O)CN1CCC[C@@H]1c1cccs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13031630 ZHDROIIAIACKIY-MRXNPFEDSA-N 439.541 2.029 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 13141204 UNPQUFYTOJBONZ-CYBMUJFWSA-N 428.441 2.491 0 40 IEAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1=O 13164058 MKYCXRZRDWBMGA-AEFFLSMTSA-N 447.582 2.191 0 40 IEAB Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC[C@@H]2CCCO2)Cc2cccs2)no1 13505878 QBBYWDMFLBTETN-HNNXBMFYSA-N 434.518 2.087 0 40 IEAB COc1cc(NC(=O)CS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc(OC)c1OC 14608585 QUGJYGWSTBPCER-UHFFFAOYSA-N 448.497 2.252 0 40 IEAB Cc1ccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)cc1 15823714 SPXFXGFHJCCAMA-UHFFFAOYSA-N 428.558 2.103 0 40 IEAB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3OC)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 16041106 DQTOHGRUQVGZIK-BQJUDKOJSA-N 449.463 2.146 0 40 IEAB biogenic CC(C)NS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)c2ccccc2)cc1 17722463 LXYBOBKEZMQWAX-FQEVSTJZSA-N 446.525 2.130 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=CC=NN2[C@H]3C(=O)c2ccccc2)cc1 17783160 UTYXMQOBMVGVFW-XSDIEEQYSA-N 429.432 2.209 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN2C[C@@H](c3csnn3)[C@H](c3ccc(C)cc3)C2)CC1 19530602 JOVJGYPAMNITTG-RBUKOAKNSA-N 443.573 2.330 0 40 IEAB CCOc1cccc(N(CC(=O)N[C@@H](C)COc2ccc(OC)cc2)S(C)(=O)=O)c1 22375437 SHCRTFQFYSMJGW-INIZCTEOSA-N 436.530 2.444 0 40 IEAB CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1 22796269 GYYBBYLCBPSFDN-OAQYLSRUSA-N 428.508 2.268 0 40 IEAB CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3cccc(C)c3)CC2)CC1 24612411 FXHKKKHOTYSOII-UHFFFAOYSA-N 436.574 2.339 0 40 IEAB CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](c2ccccc2)C1 30765573 BRUTUOSCLWQPMR-ICSRJNTNSA-N 427.526 2.350 0 40 IEAB CCOc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)cc1OC 35530259 MKOVIOUEGODWAA-DEDYPNTBSA-N 435.505 2.365 0 40 IEAB CCOc1nnc(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)s1 39563749 DPPNIAHKDBUBNX-UHFFFAOYSA-N 447.380 2.206 0 40 IEAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(CCCc2nnnn2-c2ccccc2)CC1 48289749 RNQZBEZOBDKWIU-GOSISDBHSA-N 437.523 2.379 0 40 IEAB O=S(=O)(NC1CCN(CCCc2nnnn2-c2ccccc2)CC1)c1ccc(F)cc1 48299734 PIPKSHIWXGEHIK-UHFFFAOYSA-N 444.536 2.177 0 40 IEAB O=C1CN(Cc2ccc3c(c2)OCO3)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 56998208 QGEANODGZGJMGW-SJORKVTESA-N 434.901 2.083 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C[C@@H]3CCCO3)C[C@@H]3CCCO3)cc2c1 57606964 XHHSPHCQVLRSFY-PMACEKPBSA-N 438.532 2.183 0 40 IEAB Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nnn1-c1cccc2c1CCN(C(=O)NC(C)C)C2 69846073 NSKPKPUAHJXSIJ-HZPDHXFCSA-N 440.548 2.301 0 40 IEAB COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(CCCO)c2ccccc2)c1 79066374 CJIUUASFEHXPGV-ZHACJKMWSA-N 435.498 2.468 0 40 IEAB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCCN21 104032258 CGRILSBRFQVTJJ-LZISPXOZSA-N 445.475 2.463 0 40 IEAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(=O)(=O)CC)[C@@H]1c1ccc(Br)cc1 218202553 CPVAVWVYPROGSY-KBPBESRZSA-N 433.320 2.462 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)C1 225788149 JLLFBNQXCPTYPW-GFCCVEGCSA-N 429.955 2.315 0 40 IEAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 248017497 HZZJUWRRGHAJJE-YRWFTTLQSA-N 441.557 2.116 0 40 IEAB Cc1noc(CCC(=O)N2CCO[C@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)n1 257316877 VHJWANAATDJMMU-IBGZPJMESA-N 429.452 2.394 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)cc1C 257338472 YXNKONAHFBMOAO-GOSISDBHSA-N 426.502 2.389 0 40 IEAB Cc1ccccc1CC(=O)N1C[C@H]2[C@@H](C1)N(C(C)C)S(=O)(=O)c1cccnc1N2C 306143113 XTMQGULFGJNUJR-RBUKOAKNSA-N 428.558 2.061 0 40 IEAB COc1cccc2cc(C(=O)N3CCC(n4nnc5ccsc5c4=O)CC3)c(=O)oc12 390831345 RIKLCJCAHGDIDI-UHFFFAOYSA-N 438.465 2.445 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl 408602872 JOEPCRSGALEHFQ-GFCCVEGCSA-N 440.905 2.451 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2cccc(C)c2)cc1 409063967 OFDLJGSXLHYXIP-UHFFFAOYSA-N 443.569 2.218 0 40 IEAB COC(=O)C1CCC(NC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C2CC2)(C(=O)OC)CC1 1566422577 KWIGSOQFAACYGH-QQKMHPFRSA-N 426.510 2.166 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2sc(NS(=O)(=O)c3ccccc3)nc2C)CC1 8977580 QLJBHJWZKLULJF-UHFFFAOYSA-N 438.531 2.167 0 40 IEAB NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)C1 9125029 ZZQXZJHDSUMALU-MRXNPFEDSA-N 447.944 2.429 0 40 IEAB Cc1ccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)cc1S(=O)(=O)N(C)C 9716054 FTHLSVSXTZDUGQ-UHFFFAOYSA-N 444.465 2.147 0 40 IEAB COc1ccc(NC(=O)COC(=O)c2ccccc2O)cc1S(=O)(=O)N1CCCCC1 10530346 RAHONIVPZFBTEW-UHFFFAOYSA-N 448.497 2.371 0 40 IEAB CCOc1ccc(-c2nnc3n(Cc4ccccc4F)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10970082 IETQYNOOPVSFDA-UHFFFAOYSA-N 448.458 2.335 0 40 IEAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 11665848 GCXUXDVYQDCCTH-INIZCTEOSA-N 447.474 2.466 0 40 IEAB CC1(C)CS(=O)(=O)N(c2ccc(Cl)c(C(=O)Nc3ccccc3C(N)=O)c2)C1=O 12004200 KQCRXGMUTLHXCJ-UHFFFAOYSA-N 435.889 2.394 0 40 IEAB COc1cc(C(=O)Nc2cc(C3CC3)nn2-c2nc(C)cc(=O)[nH]2)cc(OC)c1OC 12123194 ZWTSUXZLOMHHKK-UHFFFAOYSA-N 425.445 2.420 0 40 IEAB Cc1ccc(N2C(=O)N[C@@](NS(=O)(=O)c3ccc(N)cc3)(C(F)(F)F)C2=O)cc1C 12462215 OSRKDZUPSKNFSP-KRWDZBQOSA-N 442.419 2.179 0 40 IEAB O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)NC(=O)NC1CCCC1 12622525 DZESJPSUPURSNN-OAHLLOKOSA-N 430.530 2.436 0 40 IEAB CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C 12992173 ZPRYRDMYRJNOAR-UHFFFAOYSA-N 437.493 2.094 0 40 IEAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ncccn2)CC1 13120877 AZCRTCDBKNKWMH-RUZDIDTESA-N 442.523 2.246 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NC[C@@H]1CCCO1 13555431 PDSJGGLQYLHPKJ-UWWNWNSBSA-N 431.558 2.083 0 40 IEAB O=C(CN1C(=O)S/C(=C\C(Cl)=C\c2ccccc2)C1=O)N[C@H]1CCS(=O)(=O)C1 13574585 RRHMJTKRLVZEDB-LIWHGHHESA-N 440.930 2.149 0 40 IEAB COc1ccccc1NC(=O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 13625418 AQBIFFSPGYJXRF-QGZVFWFLSA-N 445.541 2.241 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CSc3ccc(NC(C)=O)cc3)C2=O)cc1 14108496 PNTAIASVAUOFQY-OAQYLSRUSA-N 442.497 2.244 0 40 IEAB COC(=O)C[C@H](NC(=O)CNC(=O)c1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1 14137024 QBHJLRJDWZQZIR-SFHVURJKSA-N 428.485 2.471 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1=O 14201722 LHZFZCHOKSTGQV-RUZDIDTESA-N 448.523 2.373 0 40 IEAB COC(=O)c1cc(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc(C(=O)OC)c1 16363611 TVUZFPAQFOMQMB-UHFFFAOYSA-N 441.469 2.181 0 40 IEAB C[C@@H](C(=O)N1CC[C@H](c2nc(O)c3c(n2)CN(C2CCCCC2)CC3)C1)N1CCCC1=O 19077718 HIZNKYMNVCHKJN-IRXDYDNUSA-N 441.576 2.200 0 40 IEAB O=C(NCCN1CCOCC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372562 ALXOIFKQGHBBFS-DHIUTWEWSA-N 439.531 2.205 0 40 IEAB COc1cccc([C@]2(O)CC[C@H]3CN(S(=O)(=O)c4c(C)nn(C)c4Cl)C[C@@H]32)c1 19577900 GRCFXNHQAJBXPL-IYJAJMOOSA-N 425.938 2.309 0 40 IEAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCc2nc(N)c(C(=O)N(C)C)cc2C1 19701169 LVZFPRZABWEPLK-UHFFFAOYSA-N 432.546 2.245 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H]2CCCO2)cc1C 20008611 VPOGIUPCNACJJU-ICSRJNTNSA-N 432.542 2.188 0 40 IEAB CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)cc1 22851639 VAQAEIUTYARSBI-FQEVSTJZSA-N 447.557 2.081 0 40 IEAB C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)Nc3ccccc3N3CCCC3)CC2)C1 22923973 RHDOXCBGWMLJJS-SFTDATJTSA-N 441.620 2.347 0 40 IEAB O=C1C(=O)N(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c2ccccc21 23844558 FUEKPWXNPSQQCE-UHFFFAOYSA-N 449.898 2.195 0 40 IEAB COc1ccc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c2nccn2C)cc1 24773337 HBFWQIIHKFZFFH-AOMKIAJQSA-N 448.479 2.416 0 40 IEAB CCOc1ccc(NC(=O)CCCNc2ncccn2)cc1S(=O)(=O)N1CCCC1 32926134 XNSJPPLZOZZWOX-UHFFFAOYSA-N 433.534 2.491 0 40 IEAB CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3CCOCC3)nc2)cc1 40024530 OCDQAHSTATXMLG-UHFFFAOYSA-N 440.500 2.196 0 40 IEAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2ccccc2)CC3)C1=O 96144134 DZNYPQCLBDNKQW-XMMPIXPASA-N 426.561 2.074 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)cc1 96225248 FPRHASZDCGFURK-QFIPXVFZSA-N 442.541 2.348 0 40 IEAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100399337 IRNJOXDPFSPIHX-KTJXOPQJSA-N 440.471 2.385 0 40 IEAB COC(=O)c1sccc1S(=O)(=O)N1C[C@H](Oc2ccccc2F)C[C@@H]1C(=O)OC 206805333 NGLAWUAVBWSJHM-DGCLKSJQSA-N 443.474 2.057 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223001831 FVUAQSCXHGENRW-NRFANRHFSA-N 445.585 2.477 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(S(C)(=O)=O)cc1 223895637 RPHJHEJICVYEAT-LLVKDONJSA-N 426.541 2.043 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 224159797 MQUMPZWKRCJIOW-UHFFFAOYSA-N 440.905 2.420 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 224231140 MSUZPUXMWMTJFM-UHFFFAOYSA-N 432.951 2.089 0 40 IEAB Cc1ccc(C)c(CC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 224473694 DNUNLLYUMZGDTP-UHFFFAOYSA-N 432.542 2.062 0 40 IEAB CC(=O)Nc1ccc(NC(=O)CN2CCC[C@](C)(C(=O)N3CCOCC3)C2)c(Cl)c1 257220365 DKNVSNHFLAPNRG-NRFANRHFSA-N 436.940 2.198 0 40 IEAB COc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)cc1 260899722 PTAYEKJWOCMKPI-GFCCVEGCSA-N 435.527 2.402 0 40 IEAB COc1ccc(C2(NCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1 540359357 AOVSDVLNJRQZIT-UHFFFAOYSA-N 432.542 2.374 0 40 IEAB Cc1ccnn1CCC(=O)N1CCO[C@@]2(CCCCc3ccccc3OCCNC2=O)C1 643556634 NYBXYWGVMVQVTL-DEOSSOPVSA-N 440.544 2.101 0 40 IEAB CN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CCn3ccnc3)CCO2)C1=O 643556903 QWGFGJQFAWAWIM-DEOSSOPVSA-N 440.544 2.135 0 40 IEAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(OC(C)=O)c(OC(C)=O)c2)c1 3232722 FDYMSBGHPOUBPZ-UHFFFAOYSA-N 431.397 2.350 0 40 IEAB COC(=O)c1cc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)cc(C(=O)OC)c1 3277152 KOSXKWPNTXEMOE-UHFFFAOYSA-N 427.438 2.227 0 40 IEAB CCCS(=O)(=O)Nc1ccc(=O)n2c1[C@@H]1C[C@@H](CN(C(=O)NC3CCCCC3)C1)C2 5392798 YHAVTYJSLKMLTI-JKSUJKDBSA-N 436.578 2.461 0 40 IEAB biogenic,in-vitro O=C(NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1)N[C@@H]1CCC(=O)N1Cc1ccccc1 5760276 JFEHGYSSVPBCPA-PMACEKPBSA-N 434.496 2.152 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O 6530541 CJQTUCZJHKPOCM-UHFFFAOYSA-N 432.440 2.101 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N(C)Cc1ccsc1)c(=O)n2Cc1ccccc1 9366968 CSCHICDLDBPYSO-UHFFFAOYSA-N 437.525 2.148 0 40 IEAB O=C1NCCN(C(=O)c2ccc(Cl)cc2)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 9433961 KLHMJQSUIKRKKA-FQEVSTJZSA-N 440.931 2.020 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(C(C)=O)c3)cc2C1=O 9701060 GDNJKRBIFZTHOY-UHFFFAOYSA-N 438.436 2.317 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)CC1 10961014 HEIBVZPCLRUGNO-GFCCVEGCSA-N 435.502 2.298 0 40 IEAB COc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3c(c2=O)S[C@@H](C)C3)cc1 11726679 CTFIFXOSTGWTHL-ZDUSSCGKSA-N 433.555 2.229 0 40 IEAB COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c1 12529202 IGNBJFYDBVZAIL-FQEVSTJZSA-N 426.469 2.171 0 40 IEAB COc1ccc(Cn2nnnc2Sc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 12534041 LTGIJFMSXPHEBU-UHFFFAOYSA-N 432.531 2.061 0 40 IEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 12599691 NVCNNCMUJUPELG-SFTDATJTSA-N 438.524 2.352 0 40 IEAB CCOc1ccc([C@H](Cn2c(=O)[nH]c3ccccc3c2=O)N2CCOCC2)cc1OC 12737456 FALDJKJLEWOTEY-IBGZPJMESA-N 425.485 2.171 0 40 IEAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3SC[C@]3(C)NC(=O)NC3=O)cc2NC1=O 12783824 QIEDCMZRCZIUPE-MQJDWESPSA-N 440.481 2.349 0 40 IEAB C[C@H]1C[C@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 12991696 FFIWUAONJFGNPJ-GJZGRUSLSA-N 431.961 2.290 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 13031573 DWJXYIIUKUCZAZ-UHFFFAOYSA-N 439.484 2.309 0 40 IEAB Cc1ccc(OCC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 13036793 FDZIULLETUPLSH-UHFFFAOYSA-N 429.484 2.247 0 40 IEAB CC(C)c1nc(SCC(=O)Nc2c[nH]c(=O)[nH]c2=O)c2cnn(-c3ccccc3)c2n1 13150653 AITPCCGDTWIKAP-UHFFFAOYSA-N 437.485 2.046 0 40 IEAB CCCc1c(C)nc2ncnn2c1Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 13364943 VIIKBEMKRFNSOW-UHFFFAOYSA-N 429.550 2.210 0 40 IEAB Cn1c(=O)oc2cc(S(=O)(=O)N3CCO[C@@H](COc4ccccc4)C3)c(Cl)cc21 15023730 QHOURWPBTQDXNI-CQSZACIVSA-N 438.889 2.253 0 40 IEAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N[C@@H]2CCCc3ccccc32)C1=O 16695002 IURCCSCEFQMODC-HOYKHHGWSA-N 435.480 2.462 0 40 IEAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CCc1ccccc1[C@@H]2NC(=O)CN 19449790 GFBYBDVHHHAIFG-GVUKDKGQSA-N 434.584 2.392 0 40 IEAB C[C@H](NC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)c1cccs1 19459683 SMIXIHUYAWAHCU-OYHNWAKOSA-N 427.526 2.499 0 40 IEAB COCCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C4CCC4)C3)cc(=O)[nH]2)CC1 19593102 NYDFWKFREUJKNY-SFHVURJKSA-N 430.549 2.019 0 40 IEAB Nc1nc(C2CCN(C(=O)Cn3cccn3)CC2)ccc1C(=O)NCc1ccccc1F 19765791 BWPYAFXLGACBPN-UHFFFAOYSA-N 436.491 2.336 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCCC2)Oc2ccccc21 20487038 QTCUQCJTKGCMEK-IBGZPJMESA-N 429.498 2.088 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c1C 22225284 ZLOJEMKCYTWXKR-LBPRGKRZSA-N 425.532 2.427 0 40 IEAB Cc1nc(SCC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C(N)=O)c(C)c1C 32819060 ROIGZUJSWQTRQC-UHFFFAOYSA-N 425.514 2.093 0 40 IEAB CN(C(=O)CCN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 33548305 QQHOARSWSMHVFF-GWQWUEFDSA-N 442.946 2.412 0 40 IEAB C[C@@H](NC(=O)c1cccs1)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 40155989 KZTXDWKQAWAISQ-CQSZACIVSA-N 435.933 2.270 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)Cn2ccc3c(Br)cccc32)cc1 40287948 GCWDAJXZXYHJLG-UHFFFAOYSA-N 436.331 2.410 0 40 IEAB COc1ccccc1CCN1CC(=O)N(c2cccc(Cl)c2)[C@H]2CS(=O)(=O)C[C@@H]21 63390110 KOWAHGREUQVFDQ-OALUTQOASA-N 434.945 2.406 0 40 IEAB COc1ccc(NC(=O)Cn2nc(S(=O)(=O)c3ccccc3)ccc2=O)cc1Cl 64943021 LFAVKVFZMAMXNC-UHFFFAOYSA-N 433.873 2.377 0 40 IEAB CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)NCCCN4CCCC4=O)c3)c2)n1 71768422 AWMPRUNXIHCNKZ-UHFFFAOYSA-N 437.504 2.357 0 40 IEAB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)Nc1nc(C(F)(F)F)n[nH]1 80337581 JVVMZUCLBOKXHC-SNVBAGLBSA-N 445.833 2.336 0 40 IEAB Cn1nc(-c2ccccc2NC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)ccc1=O 96025126 AIUWYXSQTZZBBZ-ZDUSSCGKSA-N 435.509 2.168 0 40 IEAB O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96124141 RLXIFNPXOZHEHJ-AWEZNQCLSA-N 433.501 2.431 0 40 IEAB CCC[C@]1(C(=O)OCC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 169341166 PWHHLLSJOAWOAM-NWFVXXGESA-N 448.516 2.080 0 40 IEAB Cc1ccc2nccc(N3CC[C@@](O)(CNC(=O)CC4(CC(=O)O)CCCC4)C3)c2n1 257275777 NQVRJIBUGXZXFO-HSZRJFAPSA-N 426.517 2.421 0 40 IEAB COc1cc(CN(C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCCCN(C)C 257328417 XFOGLKVHBTYTOW-DEOSSOPVSA-N 443.592 2.197 0 40 IEAB COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)O)C1=O 409127799 QKOVLIHOQOMJQV-VZUCSPMQSA-N 430.232 2.122 0 40 IEAB Cc1ncsc1C(=O)N1CC[C@]2(C1)c1cccn1-c1ncccc1N2CC(=O)N(C)C 585106773 HUZHQZNNLHWOMI-QFIPXVFZSA-N 436.541 2.287 0 40 IEAB Cc1cnn(-c2cccc(N3CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)n2)c1 2298092150 GGPYNPTWDQVKBW-UHFFFAOYSA-N 429.410 2.359 0 40 IEAB COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)(C)O)O4 5824063 NSFCLBVWJYYZMR-DNVFCKCGSA-N 428.437 2.002 0 40 IEAB biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3-c3ccc(C)cc3)c2=O)cc1 9278169 ZGBTVYOXVSZRIV-UHFFFAOYSA-N 432.440 2.101 0 40 IEAB O=C(O)c1ccccc1N[C@H]1SC(=O)N(CCN2C(=O)c3ccccc3C2=O)C1=O 9422361 PBZDWGLJGMLVDZ-HNNXBMFYSA-N 425.422 2.114 0 40 IEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)C1=O 9646236 BZRFHQIXUXYAOR-GOSISDBHSA-N 437.239 2.044 0 40 IEAB C[C@@H](OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccccc1 9787654 ASSJGOHZYACNSZ-HZPDHXFCSA-N 443.525 2.314 0 40 IEAB O=C(COc1ccccc1)NCCn1ncc2c(=O)n(Cc3ccc(Cl)cc3)cnc21 9823478 PCCOXYRYUMTCBO-UHFFFAOYSA-N 437.887 2.490 0 40 IEAB CC(C)c1ccc(O[C@H](C)C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC[C@@H]2CCCO2)cc1 12137465 NNINEZJGCABUAM-UXPWSPDFSA-N 432.517 2.017 0 40 IEAB CC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)CC1 12903910 OQPINVNYQAFJEK-UHFFFAOYSA-N 449.617 2.448 0 40 IEAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)N1CCN(c2ccccc2)CC1 13073242 KCRIQHFQYGZLBL-UHFFFAOYSA-N 449.338 2.188 0 40 IEAB O=C([C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)c2ccccc2O1)N1CCOCC1 14228718 UMMXBEMAZDUFML-SFHVURJKSA-N 430.844 2.335 0 40 IEAB Cc1c(NC(=O)CSc2nnnn2[C@@H]2C[C@@H]3C=C[C@H]2C3)c(=O)n(-c2ccccc2)n1C 15023467 UNFRRSHMNXTETD-HLLBOEOZSA-N 437.529 2.339 0 40 IEAB COc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)[C@H](C)N(c3ccc(C)cc3)C2=O)cc1 18003801 ZIYGEPPOIWRITP-INIZCTEOSA-N 438.484 2.258 0 40 IEAB COc1cccc(CN2CCCC[C@@H]2c2nc(O)c3c(n2)CCN(S(C)(=O)=O)C3)c1 19565240 WZTFUJXIVPBEBK-LJQANCHMSA-N 432.546 2.236 0 40 IEAB COCCCN1C(=O)CCc2c(C)nc(CN(C)S(=O)(=O)c3ccc(C)cc3)nc21 19697989 LMRPLHMXICSQRC-UHFFFAOYSA-N 432.546 2.230 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@@H]1CCCc2ccccc21 20020621 ODHDIZCLRUNYHE-OAQYLSRUSA-N 430.526 2.280 0 40 IEAB COC(=O)[C@@H](NS(=O)(=O)c1ccc(-n2c(=O)c(C(C)C)cn2C)cc1)c1ccccc1 20512651 BHZVYZGIMSGNFR-FQEVSTJZSA-N 443.525 2.492 0 40 IEAB Cn1c(=O)n(CC(=O)c2ccccc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1 23989687 ASNHUNKMTXPCMZ-UHFFFAOYSA-N 443.507 2.232 0 40 IEAB CC(C)(C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)c1ccccc1 24749326 NMDJJPTUMMJSCX-KRWDZBQOSA-N 436.555 2.068 0 40 IEAB CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 26109295 ZBNIHZNAGQNSEM-UHFFFAOYSA-N 434.389 2.309 0 40 IEAB Cn1ccnc1[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccc(F)cc1 28107363 YJNCSHXNUBLHKP-FQEVSTJZSA-N 434.479 2.119 0 40 IEAB CC(=O)NCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 32676040 BCJILCUDVZPDIM-UHFFFAOYSA-N 425.510 2.184 0 40 IEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)COC(=O)[C@@H](C)NC(=O)c1ccccc1 32747230 QPDPIAXWYQQWHN-QGZVFWFLSA-N 425.485 2.062 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(F)c(NS(C)(=O)=O)c2)cc1C 32908049 IMOONXNFMWQTEW-UHFFFAOYSA-N 443.522 2.121 0 40 IEAB CC(C)CCC[C@@H](C)NC(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1 36692615 YCAKFVJTQDOKNW-CVEARBPZSA-N 425.599 2.298 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3nc4ccc(F)cc4s3)CC2)CC1 49433771 RXURZOBERSJCSR-UHFFFAOYSA-N 441.550 2.477 0 40 IEAB Cc1nc(-c2cccc(F)c2)n(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)c1CCO 67316829 SPWJYZWXQWRHAX-UHFFFAOYSA-N 425.416 2.260 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1C(=O)O 69529931 REIWTAFFIGGEMP-UHFFFAOYSA-N 440.499 2.025 0 40 IEAB O=C(Nc1ccc(-n2cc(Br)cn2)nc1)c1ccc(F)cc1-n1cnnn1 72400413 ZVRULXBECKUXKV-UHFFFAOYSA-N 429.213 2.397 0 40 IEAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 89420168 KOUIGIMBPIURKF-RDTXWAMCSA-N 433.892 2.110 0 40 IEAB CC(C)(C)OC(=O)C(C)(C)CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 95469121 ZTGYEZAHDUHSML-INIZCTEOSA-N 435.521 2.031 0 40 IEAB COc1ccc(CN2C(=O)N[C@@H](CC(=O)Nc3nc4c(s3)CCC4)C2=O)cc1OC 96117654 KIPQEMMEZYVISJ-ZDUSSCGKSA-N 430.486 2.098 0 40 IEAB COc1cc2nc(C)n(CC(=O)NCCn3c(C)nc4ccccc43)c(=O)c2cc1OC 96118655 XLBOKCZDVZOXES-UHFFFAOYSA-N 435.484 2.197 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223520277 KLFMHGBUGQPDFZ-INIZCTEOSA-N 435.521 2.145 0 40 IEAB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)NC[C@H]3COc4ccccc4O3)CC2)c1 225264251 KZSFILDBMLBWAV-FQEVSTJZSA-N 444.553 2.493 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccccc2F)CC1 408590459 HIHOOXRKXZSLBL-MRXNPFEDSA-N 435.521 2.158 0 40 IEAB Cc1ccc(CNC(=O)[C@H]2C[C@]3(CO2)CN(Cc2ncc(C(F)(F)F)[nH]2)CCO3)cc1 2056225694 YOVGITKJNXUMRZ-OXQOHEQNSA-N 438.450 2.413 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)c1 932467 HQQYYZHTWBPCDE-UHFFFAOYSA-N 441.469 2.341 0 40 IEAB CC(C)CN(C(=O)COC(=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 3416572 DHSGNOKTSUFJHH-OAHLLOKOSA-N 432.336 2.278 0 40 IEAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)NC)CCCC3)n1 8867708 NTYAUAOONLTTCQ-UHFFFAOYSA-N 442.950 2.476 0 40 IEAB NC(=O)COc1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)cc1 8985260 VQBYFIVALSCZTQ-UHFFFAOYSA-N 437.452 2.006 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCC(C)C)c(C)c1 9746247 BTGWQFNUDBAUGF-IBGZPJMESA-N 437.606 2.434 0 40 IEAB O=C(COCc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9779586 RVLFBJKZYYQFQA-UHFFFAOYSA-N 449.529 2.485 0 40 IEAB CCn1c(SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)nnc1-c1ccccc1 9883532 UWXPQLYWNWGOEM-UHFFFAOYSA-N 427.530 2.245 0 40 IEAB CCOC(=O)C1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 12619075 YIPDPBZWCDQINV-UHFFFAOYSA-N 432.517 2.059 0 40 IEAB COc1ccc(-c2noc(CN3CCN(C(=O)CNC(=O)c4ccc(C)cc4)CC3)n2)cc1 12944808 NLMGOANKFWMECB-UHFFFAOYSA-N 449.511 2.128 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 13128756 RWYZKTIJDYEMTM-XMMPIXPASA-N 449.463 2.235 0 40 IEAB CCN(C(=O)c1cn(C2CC2)c2c(OC)c(F)c(F)cc2c1=O)[C@H]1CCS(=O)(=O)C1 13655174 BQXMRUCQMHVSJB-LBPRGKRZSA-N 440.468 2.272 0 40 IEAB COc1ccc(C)cc1CN1CCN(S(=O)(=O)c2ccc(CNC(C)=O)cc2)CC1 14228852 VTKGNWSAJQKYGD-UHFFFAOYSA-N 431.558 2.146 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cnc2n(c1=O)CCS2 15660297 VBOCOFQEQVWCOP-UHFFFAOYSA-N 434.543 2.084 0 40 IEAB COc1ccc(/C=C/C(=O)NC(=S)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1OC 16041709 NLCSAWDCXBHPNW-OLMWUWOUSA-N 439.537 2.399 0 40 IEAB biogenic COc1ccc(CCNC(=O)N[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)cc1OC 16047670 RSHDRKKFZPMAQO-INIZCTEOSA-N 443.500 2.368 0 40 IEAB O=C(CCn1cc(Br)cn1)Nc1nc2ccccc2n1CCN1CCOCC1 19645655 CJPPQAHNXZXRKK-UHFFFAOYSA-N 447.337 2.356 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)nc2c1CCC(=O)N2C 19741324 NIBXGJYRAWSPAZ-GOSISDBHSA-N 447.539 2.446 0 40 IEAB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)c2ccc(F)cc2)CC1 22795715 ZANYYTAFXAKBMX-HXUWFJFHSA-N 432.927 2.200 0 40 IEAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(CN2CCCC2=O)cc1 23804886 CGZKLUDGTPNTSR-UHFFFAOYSA-N 448.567 2.225 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)OCC(=O)Nc3ccc(C)c(F)c3)C2=O)cc1 23805257 MDAWOXYNGFYMDW-QFIPXVFZSA-N 427.432 2.391 0 40 IEAB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 23866202 LUHJAUWSJAKGID-JOCHJYFZSA-N 443.569 2.474 0 40 IEAB CN(Cc1ccccc1N1CCOCC1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O 27155979 HJAICGVAVWHUCN-OAQYLSRUSA-N 435.528 2.243 0 40 IEAB CS(=O)(=O)N1CCN([C@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 32074799 NYJJVVFNMRZYHV-NRFANRHFSA-N 443.525 2.450 0 40 IEAB CC(=O)Nc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)c2)c1 32103699 GCSMXCXJKCPLPD-SFHVURJKSA-N 430.486 2.206 0 40 IEAB O=C(NCCCN1CCCCC1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 38753351 CGXMHBFGNYCDCW-UHFFFAOYSA-N 425.570 2.360 0 40 IEAB CCN(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)S(=O)(=O)c1ccc(C)cc1 39985848 DEGKXWYRPCTYDH-UHFFFAOYSA-N 448.497 2.218 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc2cccc(OCC(N)=O)c2)cc1 40050816 WUBUGULUCFEIRV-LJQANCHMSA-N 433.530 2.191 0 40 IEAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4F)cnc32)c1 40478140 OFUPVJLHWYJKAY-UHFFFAOYSA-N 442.838 2.476 0 40 IEAB CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1 67870725 MOPCRIUPXFIAMN-CMKODMSKSA-N 434.631 2.306 0 40 IEAB biogenic,in-vitro O=C(CN1CCCC[C@@H]1C(=O)N1CCOCC1)NCC1(c2ccc(F)cc2)CCCC1 72093045 CZUXKUJVVGULKM-OAQYLSRUSA-N 431.552 2.467 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)C2=O)cc1 89629899 YPJBLJJVPKKQRV-HJPURHCSSA-N 432.484 2.220 0 40 IEAB CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)OCC(=O)N2CCCC2)c1 89661610 NGLNQLZMRKZNIH-UHFFFAOYSA-N 447.351 2.305 0 40 IEAB O=C(Cc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 89821459 GFGWTQXQNPSILR-OVCLIPMQSA-N 428.510 2.145 0 40 IEAB CC(C)NC(=O)CN(C)C1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 89885227 QQAXIBSJOADNPR-UHFFFAOYSA-N 446.636 2.157 0 40 IEAB Cc1ccc(CC(=O)N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)cc1 97943464 WOZYNBDWXYURBN-QFIPXVFZSA-N 445.523 2.385 0 40 IEAB CCS(=O)(=O)N1CCc2c(O)nc([C@H]3CCCCN3C(=O)C3[C@H]4CCCC[C@H]34)nc2C1 100238020 IHSMGNKKHVHFFU-RLFYNMQTSA-N 448.589 2.380 0 40 IEAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3CC(=O)NCc3ccc(F)cc3)C2=O)cc1Cl 101083726 DJMSDSKRHVVLAP-MSOLQXFVSA-N 429.839 2.397 0 40 IEAB COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(C5CCCC5)C(=O)[C@H]24)O3)cc(OC)c1OC 103460868 SYLGTYVHEITMHD-ZMHGRXQUSA-N 428.485 2.376 0 40 IEAB Cc1cc(C)cc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 224074840 JCDLZOXUJNAALN-UHFFFAOYSA-N 434.514 2.036 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)S(C)(=O)=O 224464821 QXZZRHGMXJQPTD-LJQANCHMSA-N 433.530 2.024 0 40 IEAB Cc1nccc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CCOCC3)C2)n1 257268407 MLOCJKYUVVTDAB-UWJYYQICSA-N 442.491 2.083 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCc2ccccc21 260743668 OLHMGDJIBZBWNB-KRWDZBQOSA-N 431.558 2.419 0 40 IEAB Cc1ncsc1CN1CC[C@H]2C(N3CCN(C(=O)c4ccccc4)CC3)=NO[C@H]2C1 306140439 UTUGCDBRRGZVBK-MOPGFXCFSA-N 425.558 2.444 0 40 IEAB C[C@@H](Oc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1)C(=O)NC1CCCCC1 408604300 LWGDJIFIQMAPKC-QGZVFWFLSA-N 434.562 2.468 0 40 IEAB C[C@@]1(c2ccc(CNC(=O)N3CCO[C@@]4(CCc5ccccc54)C3)cc2)NC(=O)NC1=O 512109130 ZOCVUUWZOWTXEV-ZEQRLZLVSA-N 434.496 2.125 0 40 IEAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N2CCCCC2)c(OC)c1 712496 OAJYVHHTLLXQSH-FQEVSTJZSA-N 431.489 2.278 0 40 IEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(C(=O)c3ccccc3)CC1)C2=O 3417328 YQLPUTLVAFWGTL-XDHUDOTRSA-N 440.544 2.108 0 40 IEAB CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(c2ncccn2)CC1 8134536 SDZLOAYBMGRKRE-WNZYQOIOSA-N 425.577 2.482 0 40 IEAB CC(=O)N[C@H](CC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1 9613294 MEQBFSBQCHNQKK-OAHLLOKOSA-N 429.498 2.085 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)c1ccccc1 9633308 VTHRXWVOMBFEFG-HXUWFJFHSA-N 433.482 2.187 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NC2CCCC2)c1 9748862 AYNXALIZEFZYKL-IBGZPJMESA-N 435.590 2.412 0 40 IEAB CS(=O)(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 10265553 KXIPDLGSPXELLU-UHFFFAOYSA-N 428.369 2.175 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CCCCCC3)c2)C[C@@H](C)O1 12573736 RFBSFUPKBGUYCL-CALCHBBNSA-N 438.546 2.044 0 40 IEAB C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 14521274 MULFMASTDFBAJD-NXTQRVMMSA-N 425.577 2.493 0 40 IEAB O=C(NCc1ccco1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 17169840 CJDHAPRNTMFYKH-KRWDZBQOSA-N 436.873 2.474 0 40 IEAB Cc1cccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)c(=O)[nH]c12 19236469 QKDFZYVMENQNLJ-NRFANRHFSA-N 434.475 2.432 0 40 IEAB O=C(Cc1ccc(F)cc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(Cc2cccnc2)C3)C1 19339567 MRDRLUCUEIRKMX-IBGZPJMESA-N 447.514 2.421 0 40 IEAB Cc1ncc(C(=O)N2CCO[C@@](Cc3ccc(-c4cccnc4)cc3)(C(N)=O)C2)c(C)n1 19552494 MCKNRQVHBAIMSJ-XMMPIXPASA-N 431.496 2.095 0 40 IEAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)CN2CCCC2=O)CCO1 19580635 OWHLUJOZQZMTTN-AREMUKBSSA-N 449.551 2.204 0 40 IEAB CN(C)c1ncc(-c2ccccc2F)c(C2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)n1 19695349 ICORFCMPMAAXRZ-UHFFFAOYSA-N 436.491 2.462 0 40 IEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN1CCN(Cc2ccccc2)CC1 22917696 KHLQTOMLOQCTOK-UHFFFAOYSA-N 426.536 2.108 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)COC(=O)c1cc(OC)c(OC)c(OC)c1)CC2 26901146 WHNNBJYDRWHPPH-UHFFFAOYSA-N 445.468 2.471 0 40 IEAB CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)s1 30498696 YSNHLDGODVHLFC-UHFFFAOYSA-N 437.591 2.117 0 40 IEAB Cc1cccn2c(=O)cc(CN3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc12 32510596 ZGYZTKDPISVZDP-UHFFFAOYSA-N 432.933 2.163 0 40 IEAB COc1ccc(Cn2nnnc2CN(CCCO)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 57642676 CNPBEEKWPXVHCN-UHFFFAOYSA-N 448.527 2.265 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)CCC(=O)c2ccc3c(c2)CCCC3)C[C@@H](C)O1 58129854 PXXZKXPSOTWAMY-CALCHBBNSA-N 436.574 2.084 0 40 IEAB COc1ccc([C@@H](O)CNC(=O)CN2C(=O)COc3cc(Br)ccc32)cc1 58819594 VOWIEJYCOWDSRD-INIZCTEOSA-N 435.274 2.033 0 40 IEAB COCc1cc(N2CCOCC2)nc(C2=CCN(C[C@@H](O)c3ccc(OC)cc3)CC2)n1 72339643 OARRYLSOJUSSDS-JOCHJYFZSA-N 440.544 2.291 0 40 IEAB COCCn1nc([C@@H]2CCCN(C(=O)Cc3cn(C)c4ccccc34)C2)n(C2CC2)c1=O 77150146 PESANBYZAQEARO-QGZVFWFLSA-N 437.544 2.467 0 40 IEAB Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)Nn1cc(Br)cn1 89643159 JTCQKNRDQVKVGI-UHFFFAOYSA-N 439.291 2.409 0 40 IEAB CC(C)CCN1Cc2c(C(=O)N3CCC(O)CC3)ncn2-c2ccccc2S1(=O)=O 96147507 QUCPHQFMRZHEKB-UHFFFAOYSA-N 432.546 2.020 0 40 IEAB CC(=O)N1CCN(C(C)C)[C@H](c2nnc3ccc(C(=O)NCc4cccs4)cn23)C1 96268090 YJCBZAXPWAABQR-SFHVURJKSA-N 426.546 2.334 0 40 IEAB COc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2ccc(OC)c(CO)c2)C3)c(OC)n1 100149510 VMNAIIQVYVGNFO-ROUUACIJSA-N 429.517 2.114 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N(C)c2ccc(OC)cc2)c(Cl)c1 222836461 AEGBDYHMEJOLAO-UHFFFAOYSA-N 442.921 2.315 0 40 IEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1COc2ccccc2O1 224370032 GVAQXPATSCBKBC-OAQYLSRUSA-N 446.525 2.196 0 40 IEAB CCOC(=O)CN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1cccs1 225143600 BVAGOPXQMHLRBW-UHFFFAOYSA-N 443.499 2.310 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 225421336 IYLORDNGYQNGJK-KRWDZBQOSA-N 449.548 2.372 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)cc1F 257211843 CASFEWNWMQKSLU-QGZVFWFLSA-N 430.465 2.220 0 40 IEAB CC(=O)N[C@H]1CC2(CCN(C(=O)COc3cc(C)c(Cl)c(C)c3)CC2)OC[C@]1(C)O 257342972 ZQUUOTXZHLUMCS-RXVVDRJESA-N 438.952 2.373 0 40 IEAB CCOc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 408712988 FHXYAJKIEYEKDW-UHFFFAOYSA-N 431.514 2.125 0 40 IEAB Cc1ccccc1C(F)(F)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1116412677 FHICRLSGZUXSAG-KRWDZBQOSA-N 431.487 2.499 0 40 IEAB Cc1c(CC(=O)N(CC(=O)O)CC(=O)O)c(=O)oc2cc3oc4c(c3cc12)CCCC4 2104788 RGLBSMPQRNWXDO-UHFFFAOYSA-N 427.409 2.267 0 40 IEAB biogenic CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 2645243 NAPSNNLSYOIKLQ-MRXNPFEDSA-N 446.525 2.454 0 40 IEAB COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 3344779 RFIUZHJPFIIDMU-UHFFFAOYSA-N 428.466 2.309 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccc(C)c(C)c3)CC2)cc1 3530381 WCODCJDKPCAOJC-UHFFFAOYSA-N 430.526 2.302 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 3565730 YSVLSOVDORGPBP-UHFFFAOYSA-N 438.505 2.303 0 40 IEAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 9219349 BMJYVPQCPLWVHS-INIZCTEOSA-N 441.962 2.478 0 40 IEAB O=C(CCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)N[C@H]1C=CS(=O)(=O)C1 9348587 OAHKVNRPNDSHDV-GFAPJHNFSA-N 426.903 2.193 0 40 IEAB Cc1c(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc2c3c(c(=O)oc12)CCC3 9409748 QKIQWWAOOKPXDE-UHFFFAOYSA-N 428.466 2.255 0 40 IEAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)NCc4ccc(F)cc4)cnc32)cc1Cl 9517835 SYBINYBASUVVDZ-UHFFFAOYSA-N 426.839 2.395 0 40 IEAB Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)c1 9525911 PHHGUNJRKKFGKK-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB C[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCCc1ccc(F)cc1 13554639 CVLRJICHHHDLRK-KVYZTJHFSA-N 427.501 2.259 0 40 IEAB Cc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 14241731 QHKKPAWMAVUAKB-UHFFFAOYSA-N 434.861 2.078 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(CCCOc2ccc(F)cc2)CC1 15407476 HUCZISKGZNJKQO-UHFFFAOYSA-N 436.505 2.372 0 40 IEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cnc4n(c3=O)CCS4)cc2)C1 15823312 UCEZLUTWLSTISY-ZIAGYGMSSA-N 448.570 2.268 0 40 IEAB CCc1ccc(CN(C(=O)C2=C[C@H]3C=CC=C[C@@H]3OC2=O)[C@@H]2CCS(=O)(=O)C2)cc1 16734921 IGOMAWOSTUZDRY-SBHAEUEKSA-N 427.522 2.359 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)[C@@H](C)Cn3cccn3)[nH]c2=O)C1 19501636 YQLQUQWGEMRATA-LPHOPBHVSA-N 440.548 2.041 0 40 IEAB NC(=O)c1ccc(-c2nccnc2[C@H]2CN(CC(=O)Nc3ccccc3F)CCO2)cc1 19693259 ILIRIMKQMNBLBD-LJQANCHMSA-N 435.459 2.394 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CCC(N)=O)C2)nc2c1CC(=O)N2CCCc1ccccc1 19743775 GJAWDRAJKRDDSB-IBGZPJMESA-N 449.555 2.278 0 40 IEAB O=C(Cn1nnc2ccccc21)N[C@H]1CCc2ccc(S(=O)(=O)NC3CCCC3)cc21 19749623 HHHPLRKEBAOVNW-IBGZPJMESA-N 439.541 2.456 0 40 IEAB CN(C)C(=O)CN1CCO[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 19759577 IYCXYKSXONKCLF-SFHVURJKSA-N 425.514 2.405 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@@H]1c1ccc(F)cc1 20674673 FXLXXRLTQAYOKT-LEWJYISDSA-N 438.503 2.350 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(F)cc3)CC2)N[C@@H]1c1ccc(F)cc1 20674743 YLXNIKMINVGLMS-WOJBJXKFSA-N 442.466 2.493 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cc1 23650834 FTPXUSPBTWYHBY-GOSISDBHSA-N 446.525 2.052 0 40 IEAB O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)Nc1ccc(F)cc1 24847102 XMZLPCPFIXGNEC-MRXNPFEDSA-N 426.400 2.396 0 40 IEAB C[C@@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccccc1 25100099 URVHTTRPZWYIBC-QAPCUYQASA-N 436.464 2.496 0 40 IEAB CC1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)/C=C/c3ccccc3)CC1)C2=O 25748515 HJNAWOMFAGAMJZ-CXUHLZMHSA-N 446.573 2.063 0 40 IEAB CCN(C(=O)c1ccc2cc(OC)ccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 36393977 SQGHMVNYUCNOEJ-UHFFFAOYSA-N 445.479 2.391 0 40 IEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 39479280 ABMHYCFHNKHGBC-UHFFFAOYSA-N 449.548 2.276 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)CN2CC(c3nc(-c4cccs4)no3)C2)n1 49484716 LIFJCIJZXQKMOL-UHFFFAOYSA-N 433.515 2.398 0 40 IEAB Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21 57520537 WPAPITOAICRPSG-UHFFFAOYSA-N 433.921 2.357 0 40 IEAB COc1cc2nc(C)n(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c(=O)c2cc1OC 79193967 RBDDPMLASARJKQ-QFBILLFUSA-N 428.533 2.103 0 40 IEAB biogenic Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 89639219 SFSVFRJJJVGFOY-UHFFFAOYSA-N 448.566 2.391 0 40 IEAB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCNC(=O)c1cccc(O)c1 89662687 GMBLFGNNMGAGTN-INIZCTEOSA-N 425.551 2.275 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](NC(=O)c3cccnc3)CN(C)C(=O)C2)cc1 96113305 RRSUHTQSNLSKSZ-UYAOXDASSA-N 438.528 2.154 0 40 IEAB biogenic,in-vitro CC1(C)Cc2cccc(OCC(=O)NCCn3nc(-c4cccnc4)n(C4CC4)c3=O)c2O1 206636329 MVSXDKBEIWGLBJ-UHFFFAOYSA-N 449.511 2.350 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N(C)Cc2nc(-c3cccs3)no2)Oc2ccccc21 218796453 OGFKRJFJARMVHR-OAHLLOKOSA-N 448.526 2.374 0 40 IEAB COc1ccc(N([C@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)cc1OC 220238859 FVONTIFZCYECMJ-MRXNPFEDSA-N 436.530 2.362 0 40 IEAB COc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 223166993 PSCQVFFRGFCBBC-JKSUJKDBSA-N 436.530 2.442 0 40 IEAB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223476123 DMUVXSVMJFABLS-HXUWFJFHSA-N 449.548 2.188 0 40 IEAB CN(c1ccc(OCC(=O)NCCCN2CCc3ccccc3C2)cc1)S(C)(=O)=O 224246584 FYSNIHKKZJZPQG-UHFFFAOYSA-N 431.558 2.026 0 40 IEAB O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCC1(c2ccccc2)CCOCC1 224297955 JAUXGHABOZBFEV-UHFFFAOYSA-N 428.510 2.086 0 40 IEAB COc1ccc(OC)c(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)c1 224718043 YVCFBEIACODPGE-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB CCSc1nnc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)s1 225266671 FYPUSIOJLDRXBE-UHFFFAOYSA-N 428.561 2.064 0 40 IEAB C[C@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NCCN2CCOCC2)n1 225903482 RWUJIXXTFDSFHL-SFHVURJKSA-N 447.653 2.464 0 40 IEAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccn(C)n3)C[C@@]23CCN(Cc2ccncc2)C3=O)c1 306129358 IBHADMZXZRCPNH-DVECYGJZSA-N 447.543 2.251 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(Cl)c1 408636143 LSKIDFGBGQJKQI-UHFFFAOYSA-N 428.894 2.291 0 40 IEAB COc1ncc(CN2CCO[C@]3(CO[C@H](C(=O)NCc4cc(F)cc(F)c4)C3)C2)cc1C 585102147 CJYSFMQVJYINQR-REWPJTCUSA-N 447.482 2.353 0 40 IEAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccc3OCc3nonc3C)CCN2C)c1 1848352780 NSLWJRYLBMOAAP-NRFANRHFSA-N 449.511 2.446 0 40 IEAB O=C(NCc1cscn1)C1=NO[C@@]2(CCCN(c3cc(C(F)(F)F)ncn3)C2)C1 2056226143 LLDABNUFULLRQZ-INIZCTEOSA-N 426.424 2.384 0 40 IEAB Cc1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 6407101 ICHSVZOPAHMRIC-UHFFFAOYSA-N 444.509 2.181 0 40 IEAB O=C(Nc1nnc(SCC(=O)N2CCCC2)s1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 8908539 HCCCKMDBSHPGIY-LBPRGKRZSA-N 449.533 2.383 0 40 IEAB Cc1ccc(C(=O)OCc2nnc(-c3cccs3)o2)cc1S(=O)(=O)N1CCOCC1 9254877 LQZUIVBRONYXCG-UHFFFAOYSA-N 449.510 2.484 0 40 IEAB COc1ccc(O)c(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 9335748 DCAUJLDDFXVACZ-AWEZNQCLSA-N 425.441 2.383 0 40 IEAB CC(=O)Nc1nc(SCC(=O)Nc2nccs2)[nH]c(=O)c1NC(=O)c1ccccc1 9518254 HSQQECRLNKYNGG-UHFFFAOYSA-N 444.498 2.168 0 40 IEAB O=C(CSc1ccc2nnc(CCNC(=O)c3ccccc3)n2n1)Nc1nccs1 9578393 QIUFXERDROLECF-UHFFFAOYSA-N 439.526 2.284 0 40 IEAB Cc1ccccc1NC(=O)C[C@@H]1C(=O)Nc2ccccc2N1CC(=O)NC[C@@H]1CCCO1 9643014 RFVNLPMYWWKNER-LAUBAEHRSA-N 436.512 2.446 0 40 IEAB O=C(OCc1ccccn1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 9671850 MYNQDFVAZMLBLB-UHFFFAOYSA-N 445.541 2.450 0 40 IEAB COc1ccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)NC1CC1 9783060 WRTUNLMZEXKQDD-MRXNPFEDSA-N 432.498 2.048 0 40 IEAB CN(CC(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(F)cc1 10240037 PZBJUPGQQCWXBV-UHFFFAOYSA-N 438.521 2.074 0 40 IEAB Cn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 10385830 WLBGCEBLGPBDDT-UHFFFAOYSA-N 435.509 2.213 0 40 IEAB Cn1c(=O)c2cc(C(=O)NCc3ccccc3Cl)n(Cc3ccco3)c2n(C)c1=O 11844929 QSGKWWYYFCMZLZ-UHFFFAOYSA-N 426.860 2.263 0 40 IEAB Cc1ccccc1Cn1cnc2c(cnn2CCNC(=O)COc2ccccc2F)c1=O 12072159 YCMFPDXCIHVJTH-UHFFFAOYSA-N 435.459 2.284 0 40 IEAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)NCc1ccccc1Cl 12085651 GDAFYOKFWZFQCS-QFIPXVFZSA-N 427.888 2.487 0 40 IEAB CCOC(=O)Cn1cc(CN2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)c2ccccc21 12088709 GYOFTJIUKQEERV-UHFFFAOYSA-N 435.528 2.446 0 40 IEAB Cc1nn(C)cc1[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)N(C)S(=O)(=O)N1 12131144 MEPCYIUPHLADTI-ZFWWWQNUSA-N 432.333 2.254 0 40 IEAB Cc1ccc2oc(C(=O)N3CCC4(CC3)Nc3ccccc3S(=O)(=O)N4)cc(=O)c2c1 12142364 NFJMUEUJZBXEJK-UHFFFAOYSA-N 439.493 2.438 0 40 IEAB O=C(CSc1nncc2ccccc12)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12754004 LGWNXAAEHVJHHE-UHFFFAOYSA-N 442.566 2.396 0 40 IEAB CNC(=O)C1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C)c(C)c3)cc2)CC1 12913563 JMMMCXKYXJGSLG-UHFFFAOYSA-N 443.569 2.380 0 40 IEAB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NC[C@H]1COc2ccccc2O1 12973341 GUMJOOSUNYTDDZ-ROUUACIJSA-N 430.526 2.260 0 40 IEAB O=S(=O)(CCc1ccccc1)N1CCN(c2ccc3nnc(-c4ccco4)n3n2)CC1 13848324 JNRZMTKZEICUFS-UHFFFAOYSA-N 438.513 2.079 0 40 IEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1C[C@H](O)COc1cccc(Br)c1 14187997 DGMXCSJIIYCAIB-VBKZILBWSA-N 447.285 2.419 0 40 IEAB CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc(S(N)(=O)=O)cc1 14795710 PJOXZYUGKCRKJD-ZTLYHTANSA-N 447.601 2.307 0 40 IEAB CCCC1(CCC)NC(=O)N(CC(=O)Nc2nnc(SCC(=O)OCC)s2)C1=O 16694654 WHDMVVSCSYIWGY-UHFFFAOYSA-N 443.551 2.023 0 40 IEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(Cc4ccccc4F)CC3)C2=O)cc1 23440987 KPGLQOGGZCUTGC-XMMPIXPASA-N 438.503 2.246 0 40 IEAB Cc1ccc(N2N=C(C(=O)NCc3ccc(CN4C[C@@H](C)O[C@H](C)C4)cc3)NCC2=O)cc1 25857707 LGDNAOUKDKHFQZ-RTBURBONSA-N 449.555 2.170 0 40 IEAB O=C(Nc1ccc2[nH]cc([C@@H](C(=O)O)N3CCOCC3)c2c1)[C@H]1CC=CC[C@H]1C(=O)O 36358206 AISBDOYXQQYBGB-KHYOSLBOSA-N 427.457 2.231 0 40 IEAB CCCn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccc(C)cc4C)CC3)snc2c1=O 49409813 VQOMGJHPRUFKGQ-UHFFFAOYSA-N 427.530 2.136 0 40 IEAB CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O[C@H](C)C(=O)OC)cn3C2CC2)CC1 51364274 NDZNVAUXCKENML-CQSZACIVSA-N 445.491 2.336 0 40 IEAB O=C(CN1CCN(c2ccccc2)CC1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 58176587 NHEGVUQYDKBXNX-LJQANCHMSA-N 433.599 2.086 0 40 IEAB Cn1c(=O)c2c(c(-c3ccccc3)cn2C)n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O 67235357 RQLDDSXSAVAQOL-UHFFFAOYSA-N 432.436 2.073 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(=O)Nc4nccs4)C3)CC2=O)cc1 71819897 UDSFFEIADKPJFK-CABCVRRESA-N 428.514 2.382 0 40 IEAB O=C1N[C@]2(COC3(CCN(C(=O)CCn4nnc5ccccc54)CC3)C2)Nc2ccccc21 72325205 WKUPGGQLANRIEN-XMMPIXPASA-N 446.511 2.155 0 40 IEAB C[C@H](CCc1ccco1)NC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2 72326047 BXXUKIMWEOBJAT-MWTRTKDXSA-N 425.485 2.248 0 40 IEAB Cc1nc(CN(C)Cc2ccc3c(c2)n(C)c(=O)n3C)nc2c1CCC(=O)N2CC1CC1 72370975 BEOXUQBCDAHBJY-UHFFFAOYSA-N 434.544 2.297 0 40 IEAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NS(=O)(=O)CCN2C(=O)CCCC2=O)C1 77100742 CTULPNAGINPWBW-IRXDYDNUSA-N 437.518 2.005 0 40 IEAB COc1ccc(CCN2C[C@H](C(=O)N3CCC(CCC(=O)O)CC3)CC2=O)cc1OC 95991839 RLGJIGZRGILCOT-GOSISDBHSA-N 432.517 2.198 0 40 IEAB CN1CCN(C(=O)C[C@H]2CC3(CCN(C(=O)c4cnccn4)CC3)c3ccccc32)CC1 96052954 WTRKDCDMPJKXRO-IBGZPJMESA-N 433.556 2.302 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)O[C@@H](C(=O)NCC(C)C)Cn2ccnc23)cc1 96144753 WSIIEOMHUFBVPH-LJQANCHMSA-N 446.573 2.043 0 40 IEAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCC[C@H](C)C4)nc(=O)c32)c(OC)c1 139086887 NGDVEWOLZDDUGV-GXTWGEPZSA-N 441.488 2.088 0 40 IEAB COc1ccc(-c2noc(CNC(=O)CCCN(C)S(=O)(=O)c3ccccc3)n2)cc1 219728967 UMBOYQRDTGOWME-UHFFFAOYSA-N 444.513 2.462 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCN(C)c1ccccc1 220009992 CJENDTMSHWRHOT-UHFFFAOYSA-N 444.601 2.187 0 40 IEAB COC(=O)[C@H]1CN(C(=O)c2cnc3sc4c(n3c2=O)CCCC4)c2ccccc2O1 223041293 KQCOJVDACMXHTH-MRXNPFEDSA-N 425.466 2.216 0 40 IEAB COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1OC 225368089 UQDSQKSGIKDRHG-UHFFFAOYSA-N 448.497 2.187 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)NC[C@@H](O)c3ccc4c(c3)OCCO4)n(C)n2)c1 245015275 LTTDHVHNEJLQOF-LJQANCHMSA-N 439.468 2.339 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)nc2c1CC(=O)N2CCc1ccccc1F 257203720 ARIZFGSUBHIPKF-QGZVFWFLSA-N 448.502 2.419 0 40 IEAB COC(=O)COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 408588168 CTEKZWIWXSIYDL-VMPITWQZSA-N 430.526 2.258 0 40 IEAB Cc1nc2ncc3c(=O)n(CC(=O)N[C@H]4CCCc5c4[nH]c4ccccc54)ccc3n2n1 524735119 WMQCVVDPVYKDQF-SFHVURJKSA-N 427.468 2.423 0 40 IEAB CNC(=O)[C@@H]1CN(C(=O)C2(c3ccccc3F)CCOCC2)CCN1Cc1ccccc1 585261785 MCVAOTUAULXEIE-QFIPXVFZSA-N 439.531 2.333 0 40 IEAB COc1ccccc1OCC(=O)N1CCO[C@](COc2ccc(Cl)cc2)(CC(N)=O)C1 585286870 RRFWNRBALBAGBB-JOCHJYFZSA-N 448.903 2.279 0 40 IEAB COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C[C@@H]2C(=O)Nc3ccc(F)cc32)C1=O 1587732125 KWQFVSGEFSRIJN-DZGCQCFKSA-N 431.445 2.021 0 40 IEAB CCOC(=O)c1c(CNC(C)=O)n(CC(=O)OC)c2cc(Br)c(OC)cc12 1103274 KAFCSAZBPDHWCO-UHFFFAOYSA-N 441.278 2.398 0 40 IEAB COCCn1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CCc2ccccc21 6136309 RKFOIZXSUFBZBM-NRFANRHFSA-N 432.484 2.322 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 9288619 YJMUAZTYZGAGSG-QFBILLFUSA-N 443.525 2.136 0 40 IEAB COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1OC 9594939 IYLZCNJAILNUSX-SFHVURJKSA-N 448.541 2.433 0 40 IEAB COc1ccc(Cn2nnnc2S[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 9783416 ZTXOPPUEMMVYHU-LLVKDONJSA-N 425.474 2.019 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 9961677 MXZMFEPKFYTUMM-IBGZPJMESA-N 447.451 2.447 0 40 IEAB COc1cccc(C(=O)NCCn2ncc3c(=O)n(Cc4ccccc4C)cnc32)c1OC 12072102 UORDLZLYFQNDGQ-UHFFFAOYSA-N 447.495 2.397 0 40 IEAB CS(=O)(=O)c1ccc(CC(=O)N2CCC(c3noc(-c4cccnc4)n3)CC2)cc1 12186993 LUPXZNVWPWQQLM-UHFFFAOYSA-N 426.498 2.484 0 40 IEAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(CC)c2nc(-c3ccsc3)nc(C(N)=O)c21 12242040 CAVCHESLJSFTHT-AWEZNQCLSA-N 442.545 2.231 0 40 IEAB COC(=O)c1cc(NC(=S)NC(=O)c2ccccc2OC)ccc1N1CCOCC1 12323344 QQEFDNSIXOPHTE-UHFFFAOYSA-N 429.498 2.445 0 40 IEAB CN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 12532058 YKPIBNYSFGARLT-MRXNPFEDSA-N 446.554 2.324 0 40 IEAB O=C(CN1CCC(NC(=O)Nc2cccc(F)c2)CC1)NCc1ccc2c(c1)OCO2 12644701 VGUSEPFZBHXTAV-UHFFFAOYSA-N 428.464 2.457 0 40 IEAB COc1ccc2c(c1OC)C(=O)O[C@H]2N1C(=O)CC[C@H]1C(=O)Nc1ccc2c(c1)OCO2 12662015 YUSWJBZWFPEJFF-YEJXKQKISA-N 440.408 2.231 0 40 IEAB biogenic C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)N(C)C1CCCCC1 12781518 OSEKBKOUFFQZSX-ZDUSSCGKSA-N 432.489 2.356 0 40 IEAB COc1ccc(C(=O)CSc2nnc(CCC(N)=O)n2Cc2ccco2)c(OC)c1 12791016 SGHILKNZHCMSQO-UHFFFAOYSA-N 430.486 2.330 0 40 IEAB C[C@H](NC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccc(S(N)(=O)=O)cc1 12854988 UBVNPFBNMMKZCJ-HNNXBMFYSA-N 425.510 2.023 0 40 IEAB CC[C@@H](C)N(C(=O)CSc1nnnn1-c1ccc(C)cc1C)[C@H]1CCS(=O)(=O)C1 13039217 FXVLFTDCRPHDLH-CVEARBPZSA-N 437.591 2.185 0 40 IEAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1 13040881 CLFJLIAWOCAIRF-MRXNPFEDSA-N 434.514 2.431 0 40 IEAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)cc2NC1=O 13120955 BBOQEHLTPSUFLR-XJKSGUPXSA-N 445.497 2.116 0 40 IEAB COc1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2ccccn2)cc1 13501321 GUKZQZALYWTTQM-LJQANCHMSA-N 440.500 2.137 0 40 IEAB Cc1cc(NC(=O)[C@@H](OC(=O)CCCN2C(=O)NC(C)(C)C2=O)c2ccccc2)no1 14086262 CVVBBTGYEUUSTP-KRWDZBQOSA-N 428.445 2.317 0 40 IEAB CCc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)cc1 14252306 LJNFLCZEEYDWEM-HXOBKFHXSA-N 426.469 2.227 0 40 IEAB CCOc1c(C)cnc2c1c(=O)n(CC(=O)Nc1ccc(Br)cc1)c(=O)n2C 15880429 SUJYXCTVTIUSPB-UHFFFAOYSA-N 447.289 2.204 0 40 IEAB Cc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)cc3)[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@H]31)C(=O)N2 16024919 NLFUYJWZMXQUOT-ZDQHKECQSA-N 433.508 2.462 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1OC 16189400 IYDRNKKDULPIOD-RMKNXTFCSA-N 429.542 2.075 0 40 IEAB CCCn1c(=O)n(CC(=O)O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 17244830 JVTPNRUINCACLI-OAHLLOKOSA-N 439.468 2.190 0 40 IEAB CC[C@H](C)N1CCN(CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)CC1 19499915 PUJXXFUBRSZFKN-HTAPYJJXSA-N 436.560 2.315 0 40 IEAB Cc1cccn2cc(C(=O)N[C@@H]3CCc4ccc(S(=O)(=O)N5CCOCC5)cc43)nc12 19749517 SVCPLZBIKVQLSJ-LJQANCHMSA-N 440.525 2.081 0 40 IEAB CN(CCNC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1ccccc1 22339295 HUOQNBWEHXFMEN-UHFFFAOYSA-N 440.363 2.468 0 40 IEAB COc1ccc(NC(=O)COC(=O)CSc2nc(C)c(C)c(C)c2C(N)=O)cc1OC 25629390 FPNLQMISOXJUOF-UHFFFAOYSA-N 447.513 2.397 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC(C)C)ccc2OC)cc1F 30755888 LVMQSGDGXBLWOD-UHFFFAOYSA-N 432.495 2.330 0 40 IEAB CC1(C)NC(=O)N(CCCC(=O)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O 31493279 CGXWGCWTXCZHCK-UHFFFAOYSA-N 441.454 2.250 0 40 IEAB CCCN(C(=O)CSc1nc2ccccc2c2nc(C)nn12)[C@@H]1CCS(=O)(=O)C1 32871521 YGDBWRKDZCGRBP-CQSZACIVSA-N 433.559 2.104 0 40 IEAB O=c1n(Cc2ccc(F)cc2Cl)nc2ccc(S(=O)(=O)N3CCSCC3)cn12 49408185 PKGUJVNVBZCCFR-UHFFFAOYSA-N 442.925 2.074 0 40 IEAB COc1ccc(C)cc1NC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O 49409108 COCSSUTUVGPXER-UHFFFAOYSA-N 433.530 2.225 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-n3ccnc3)nn2)cc1 58163017 DEUBMSBYAHDZGL-HNNXBMFYSA-N 428.518 2.184 0 40 IEAB CC(C)[C@H](NC(=O)CN1CCN(c2nccn2C)CC1)c1ccc2c(c1)OCCCO2 89801728 MEXULSRPIBCDQX-QFIPXVFZSA-N 427.549 2.217 0 40 IEAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc(Cn3cncn3)cc1)C=C2 95475921 KNIDIPNBAGCEQV-UHFFFAOYSA-N 433.468 2.338 0 40 IEAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 96121839 UUPMTNGTZGSBKX-UHFFFAOYSA-N 426.966 2.304 0 40 IEAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CCCC3 100139343 NUSLNZNZTMOMPE-GOSISDBHSA-N 430.468 2.299 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C 222435887 CFJSYZSLPYUIOD-UHFFFAOYSA-N 436.486 2.447 0 40 IEAB CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1 257246748 IVRBAACZOJHTAJ-QFIPXVFZSA-N 446.555 2.364 0 40 IEAB Cc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1 260934965 NUEMKZYXTMFYOA-CVEARBPZSA-N 438.571 2.430 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 409250423 LLMQMNRGIQQORQ-UHFFFAOYSA-N 448.497 2.281 0 40 IEAB NC(=O)[C@H]1CC(c2nc(-c3cccc(N4CCCC4=O)c3)no2)=NN1c1ccc(F)cc1 544967231 XGJUMIWERWJLJD-GOSISDBHSA-N 434.431 2.471 0 40 IEAB CC(C)(C)OC(=O)NCCCCn1nc(I)c2c(N)ncnc21 1775953515 SXYKLEKTMDBFOA-UHFFFAOYSA-N 432.266 2.318 0 40 IEAB O=S(=O)(NC[C@@H](c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2 9005307 DJDOHHXKWPXNII-FQEVSTJZSA-N 446.506 2.304 0 40 IEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1 9223388 XUPMNGOOFVXAES-KRWDZBQOSA-N 440.525 2.264 0 40 IEAB Cn1c(CN2C(=O)COc3ccccc32)nnc1SCC(=O)N1CCc2ccccc21 9295617 JMEWLCMSURRBHH-UHFFFAOYSA-N 435.509 2.422 0 40 IEAB CCCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)CC1=O 9355830 IUVOWWVBDPSASL-HNNXBMFYSA-N 431.518 2.173 0 40 IEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9460174 JMSMRMBWBMTWII-UHFFFAOYSA-N 429.473 2.204 0 40 IEAB CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)cc2)CC1 9467954 UTTAAABANBLTFD-UHFFFAOYSA-N 428.558 2.403 0 40 IEAB CCN(CC)CCSc1nc(-c2ccccc2OC)nc2c1c(=O)n(C)c(=O)n2C 9517555 VWSNASIZOYYRDA-UHFFFAOYSA-N 429.546 2.137 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)[C@@H]32)cc1 9674939 WWHDPDCERDVUFW-QZTJIDSGSA-N 443.847 2.289 0 40 IEAB O=C(NCCS(=O)(=O)N1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 10188093 PGAOJWVAOQBXJQ-UHFFFAOYSA-N 430.526 2.430 0 40 IEAB CC(=O)Nc1ccc(NC(=O)COc2coc(CSc3nncn3C)cc2=O)cc1 10220375 GIAKWBCLBKKNOO-UHFFFAOYSA-N 429.458 2.037 0 40 IEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 11634820 SSOIFOUGTABUDC-CYBMUJFWSA-N 434.474 2.230 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1nc(CS(=O)(=O)c2ccc(Cl)cc2)no1 12374642 ILXRZBFXISDGDF-UHFFFAOYSA-N 435.845 2.356 0 40 IEAB Cc1cc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)o2)nn1C 12443051 DWDODDFTQSQEPA-ZDUSSCGKSA-N 444.517 2.451 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)Nc3nc(-c4c[nH]c(C(N)=O)c4)cs3)CC2=O)c1 12848325 KXMOGOZNHSDAKZ-LBPRGKRZSA-N 425.470 2.237 0 40 IEAB O=C(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 12908377 YMJNPRWVDBAKLI-UHFFFAOYSA-N 438.452 2.273 0 40 IEAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CN(CC(=O)N3CCCC3)CCO2)cc1 19694985 FJPKSEFMKHAOGV-HXUWFJFHSA-N 425.533 2.214 0 40 IEAB O=C(c1cccnc1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCOCC1 19709372 DYMFIIHPZWMQIH-INIZCTEOSA-N 433.505 2.261 0 40 IEAB Cc1ccc(C(=O)O[C@@H](C)CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 19831948 ITYRTPYRQXJRNZ-KRWDZBQOSA-N 427.526 2.307 0 40 IEAB Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2CCc2ccccc2)n(C)c1=O 20517479 WXZVNBMSSMQJAS-UHFFFAOYSA-N 429.524 2.235 0 40 IEAB Cc1csc(NC(=O)CSc2nc(CC(=O)NCCc3ccccc3)cc(=O)[nH]2)n1 22629739 LZPVIGFVOMDXSF-UHFFFAOYSA-N 443.554 2.167 0 40 IEAB Cc1ccc(N2C[C@@H](NC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2=O)cc1 22664429 XVMPEUNMIWOKOY-IBGZPJMESA-N 436.512 2.356 0 40 IEAB C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)C(C)(C)C 23471596 RFTURZOZNPLRTJ-OTYXRUKQSA-N 426.318 2.180 0 40 IEAB COc1c(Br)cc(Cl)cc1S(=O)(=O)NC[C@H](C)N1CCOCC1 24682242 KOCGVKWGKDEIQT-JTQLQIEISA-N 427.748 2.110 0 40 IEAB CCOc1ccc([C@H](CNC(=O)CCN2CCSC2=O)N2CCOCC2)cc1OC 24991769 MACGAUJNXWCFGL-KRWDZBQOSA-N 437.562 2.142 0 40 IEAB CN(Cc1ccc(Cl)s1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 25170272 DHYHUTDHWWQAHR-UHFFFAOYSA-N 429.951 2.158 0 40 IEAB COc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1S(=O)(=O)NC(C)(C)C 27135042 HYBJMQQZNGHGLW-UHFFFAOYSA-N 448.545 2.256 0 40 IEAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCC(C(=O)NCc4ccccc4)CC3)nc2c1 29188676 YTMHERYHKHRVPE-UHFFFAOYSA-N 434.496 2.238 0 40 IEAB CCOC(=O)C1=C(Cn2cnc3sccc3c2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 31641093 PAZJTHPEEHSPQI-QGZVFWFLSA-N 440.481 2.338 0 40 IEAB COc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc(OC)c1C 32933025 AUTQOFCXQMNUEK-UHFFFAOYSA-N 448.541 2.088 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c32)cc1 40388803 JLBKGELSXBXBSY-WBMJQRKESA-N 438.488 2.029 0 40 IEAB Cc1cccc(S(=O)(=O)NC2CCN([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)c1 72277691 WWMMFWGKCQIGHX-OAQYLSRUSA-N 441.553 2.065 0 40 IEAB COc1ccc(OC)c(CN2CCN(C(=O)CNC(=O)c3cc(C)cc(C)c3)CC2)c1 82064726 AKBUGCALUQTCRO-UHFFFAOYSA-N 425.529 2.395 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2=O)cc1OC 95427813 GEMVTQBTHLZYSB-GJZGRUSLSA-N 433.505 2.182 0 40 IEAB NC(=O)c1nn(-c2ccc(O)cc2)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O 117532170 HGHLWAZFIGRAOT-UHFFFAOYSA-N 445.479 2.397 0 40 IEAB COc1cccc(-c2cc(C(=O)NCCn3nc(-c4cccnc4)n(C4CC4)c3=O)[nH]n2)c1 206636528 NMGDBUWJMYJCKZ-UHFFFAOYSA-N 445.483 2.270 0 40 IEAB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 223778253 GEQDKEBZEYSYQX-UHFFFAOYSA-N 427.529 2.412 0 40 IEAB CC(C)n1c(=O)sc2cc(NC(=O)C3CCN(S(=O)(=O)N(C)C)CC3)ccc21 225150565 IHNYPLKTIHEYPY-UHFFFAOYSA-N 426.564 2.101 0 40 IEAB Cc1cccc(N2C(=O)[C@@H]3C=C[C@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C[C@H]3C2=O)c1 248135701 ZQSQZUXEKWFBQC-XUVXKRRUSA-N 430.464 2.002 0 40 IEAB Cn1cc(S(=O)(=O)NC[C@H]2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)CC2)cn1 257279066 OEWLCXNJJIESRM-SHTZXODSSA-N 427.530 2.320 0 40 IEAB COc1ccccc1[C@@H]1CN(CC(=O)NCCc2nc3ccccc3[nH]2)CCN1C(C)=O 257310264 UEKPOLAQYKBHQE-NRFANRHFSA-N 435.528 2.136 0 40 IEAB O=C(CNS(=O)(=O)c1ccc(I)cc1)Nc1ccccc1F 409001293 HOFGRJJFUNXHBW-UHFFFAOYSA-N 434.230 2.347 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CCN(C)CC1)c1ccc(C)cc1 409388180 CJUZJWISMLDOPS-UHFFFAOYSA-N 431.558 2.281 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 585147536 HCFHSEPMRQAGRN-UHFFFAOYSA-N 445.520 2.490 0 40 IEAB O=S(=O)(NCC1(N2CCOCC2)CCSCC1)c1ccccc1OC(F)(F)F 1776008843 QHVLXGKRIORSJB-UHFFFAOYSA-N 440.509 2.462 0 40 IEAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)c(C)c3cc2c1C 2108978 IDWOUQWBYRONHF-STQMWFEESA-N 442.468 2.491 0 40 IEAB biogenic Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc2c1=O 2621494 CRIKAFYMZNOHPY-UHFFFAOYSA-N 426.498 2.360 0 40 IEAB COCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nc2c(c1=O)S[C@H](C)C2 6530767 VHIDBDDYKFLKHB-GFCCVEGCSA-N 449.554 2.428 0 40 IEAB C[C@@H](Oc1ncnc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8694056 LILZNUGXGNIYTE-OAHLLOKOSA-N 442.497 2.057 0 40 IEAB CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 8776200 DPZMJDOKVMVJCV-QFIPXVFZSA-N 434.456 2.231 0 40 IEAB COc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1S(=O)(=O)N(C)C 8851718 YJYSWCFQBATOTG-UHFFFAOYSA-N 431.514 2.320 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nc3nc(C)cc(C)n3n1)n2CCC 9129868 MNBBOBVGFXQTLJ-UHFFFAOYSA-N 442.549 2.443 0 40 IEAB CCn1c(SCC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)nnc1C1CC1 9155188 PMHXBNXVDMQORM-FQEVSTJZSA-N 428.518 2.156 0 40 IEAB CN(C(=O)CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 9252948 OTBAOZQVCYMXDE-QENILXLESA-N 428.919 2.022 0 40 IEAB CCc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(F)c(F)c2F)cc1 9633832 LEECNQPOLJMFRQ-UHFFFAOYSA-N 430.404 2.127 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)CN1C(=O)N[C@]3(CCCc4ccccc43)C1=O)CC2 9712417 CKMXAIDGIICORC-VWLOTQADSA-N 449.507 2.372 0 40 IEAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 9751332 IJCXZMBEGGAJDN-SFHVURJKSA-N 445.541 2.129 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(C)(=O)=O)cc1 10386658 OXSYNZKLYIEVMB-UHFFFAOYSA-N 438.527 2.136 0 40 IEAB CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 11659359 GKHJXVOMQIPIBX-UHFFFAOYSA-N 428.436 2.434 0 40 IEAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)ccc2C)c(C)c1 12532467 LXUVTBSRHQSPPJ-UHFFFAOYSA-N 428.470 2.042 0 40 IEAB COc1cc2nc(CSc3nnc(-c4ccccc4OC)n3N)[nH]c(=O)c2cc1OC 12856773 KGZHFROKFQZODS-UHFFFAOYSA-N 440.485 2.214 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)CC2=O)c1 12874960 MJKJXGOXLXTVQE-INIZCTEOSA-N 443.525 2.471 0 40 IEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C 13032523 DXIBLSXHFHBORK-UHFFFAOYSA-N 426.516 2.361 0 40 IEAB COc1cc(NC(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc(OC)c1OC 16260490 ONTQULQUAPGVOZ-SFHVURJKSA-N 447.513 2.414 0 40 IEAB C[C@@H](C(=O)N(C)CCc1ccccc1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 19077429 XBDAPTSZBZVFQA-BXKMTCNYSA-N 435.528 2.035 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CSc1nnc(CN2CCOCC2)n1C 19631324 LRCRGOZJKFSQBI-UHFFFAOYSA-N 440.367 2.449 0 40 IEAB CCN(CC)CC(=O)N1CCO[C@@H](c2nc(N(C)C)ncc2-c2ccc(OC)cc2)C1 19692636 HHOLGXCMAGCSMF-HXUWFJFHSA-N 427.549 2.460 0 40 IEAB CN(C)c1ncc(-c2cccc(C(N)=O)c2)c([C@@H]2CCN(C(=O)CN3CCCCC3)C2)n1 19694786 UAKDCXURKVPGJS-LJQANCHMSA-N 436.560 2.110 0 40 IEAB CCN(CC)S(=O)(=O)N1CCO[C@H](c2c(C(=O)NC(C)C)sc3ncccc23)C1 19703083 UOVVMCXKUUYFFX-HNNXBMFYSA-N 440.591 2.394 0 40 IEAB CCCn1cc(S(=O)(=O)N2CCC[C@H](c3nc(C)c4c(n3)N(C)C(=O)CC4)C2)c(C)n1 19741572 KWKHSFMEWGHHMH-INIZCTEOSA-N 446.577 2.177 0 40 IEAB COc1ccc(N2C[C@H](C(=O)NCCNC(=O)Cc3c[nH]c4ccccc34)CC2=O)cc1 20727815 PENKGKFUGSXQES-QGZVFWFLSA-N 434.496 2.005 0 40 IEAB COc1cc([C@H](c2sc3nc(C)nn3c2O)N2CCC(O)CC2)cc(OC)c1OC 23157960 BBCUGSBOBISPMI-MRXNPFEDSA-N 434.518 2.377 0 40 IEAB CC(=O)NCCc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)s1 24535163 LUJBAFUATLBIFZ-HXUWFJFHSA-N 435.452 2.355 0 40 IEAB C[C@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1Cl 40024103 SAMDLICOHZFQIH-AWEZNQCLSA-N 429.348 2.240 0 40 IEAB COc1cc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)cc(OC)c1 40477209 IWCCSCJAASEOLZ-UHFFFAOYSA-N 434.456 2.001 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCC2)cc1)c1ccc2c(c1)OCO2 44871569 YWCVEOXQVSIGJY-UHFFFAOYSA-N 445.541 2.094 0 40 IEAB CC(=O)Nc1nsc(N2CCC(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)n1 49409957 HYHCHJZACJGTFX-UHFFFAOYSA-N 432.525 2.201 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1 57415107 BZJGYVHSBOIKQB-HXUWFJFHSA-N 441.919 2.338 0 40 IEAB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2ccc(Cn3cncn3)cc2)CC1 57423082 UNDFLHSNYDLSCH-UHFFFAOYSA-N 432.528 2.340 0 40 IEAB CCN(C(=O)[C@H](C)N1CCN(c2cc(Cl)ccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 57477999 UPEVHLJMHDZXID-FUHWJXTLSA-N 427.998 2.195 0 40 IEAB COCCOC(=O)c1c(NC(=O)CNCc2ccccc2Cl)sc(C(N)=O)c1C 58164001 GKFSFUKRNBEDCT-UHFFFAOYSA-N 439.921 2.340 0 40 IEAB C[C@@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)Nc1nnc([C@@H]2CCCO2)s1 71333400 QDISZCKEQDKVDG-CJNGLKHVSA-N 448.524 2.388 0 40 IEAB Cc1ccc2occ(CN3CCc4c(nc(N5C[C@H](C)O[C@H](C)C5)[nH]c4=O)C3)c(=O)c2c1 72335566 AMLRJHOGWVUOPT-IYBDPMFKSA-N 436.512 2.357 0 40 IEAB COc1ccc(-c2nc(CNC(=O)[C@@H]3CCCN(c4ccc(=O)n(C)n4)C3)cs2)cc1 77100970 PVDVMYULAVFSBX-MRXNPFEDSA-N 439.541 2.445 0 40 IEAB CC(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(C(=O)c3cccc(Cl)c3)CC[C@@H]12 96037198 FKCBKUWMSWGMKR-KNQAVFIVSA-N 433.936 2.042 0 40 IEAB COc1cccc(CC(=O)N2CC[C@@H]3CN(Cc4cccnc4)S(=O)(=O)[C@@H]3CC2)c1 96145453 AWRWXRWVKGWFRR-TZIWHRDSSA-N 429.542 2.086 0 40 IEAB COc1cc(OC)cc(N2C(=O)[C@@H]3N=NN(Cc4nc(-c5ccccc5)no4)[C@H]3C2=O)c1 101311497 BLSIYFGHEHLTRV-QZTJIDSGSA-N 434.412 2.247 0 40 IEAB Cc1ccc2c(c1)O[C@H](C(=O)Nc1ccc3c(c1)sc(=O)n3C)CN2S(C)(=O)=O 225054297 NMLABUOKVAHMDB-INIZCTEOSA-N 433.511 2.074 0 40 IEAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCCn2ccnc2)cc1 408593363 NKEKARFXQTTYJN-UHFFFAOYSA-N 442.541 2.289 0 40 IEAB COCCNC(=O)[C@H]1C[C@@H](NCc2ccc(F)c(F)c2)[C@H](c2cnc(C(C)C)[nH]2)[C@@H]1O 2332241939 OJMXMDVNAWBSHV-XFHUWUJUSA-N 436.503 2.197 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1 3279999 LFGRSNNZTAWXCM-UHFFFAOYSA-N 444.513 2.249 0 40 IEAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1 3301566 WQSQQXIOQSDZMI-UHFFFAOYSA-N 447.513 2.293 0 40 IEAB O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCOCC1)c1ccncc1 8770569 GXHONSZQXJWAQT-PYCFMQQDSA-N 429.889 2.196 0 40 IEAB CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 9040986 AKUJBENLRBOFTD-IIJAGKDGSA-N 434.504 2.467 0 40 IEAB O=C(CNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)Nc1ccc(F)c(F)c1 9216755 WMDUMUOKFSTMJE-UHFFFAOYSA-N 449.435 2.405 0 40 IEAB O=C(CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1O2)Nc1nc2c(s1)CCCC2 12085693 YBOYKLGPYYJJBF-QFIPXVFZSA-N 440.525 2.492 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2n[nH]c3ccccc23)cc1 12556567 UCCROJFXQPLHLI-CYBMUJFWSA-N 430.486 2.434 0 40 IEAB C[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)Nc1ccc(C(N)=O)cc1 12907401 AYIPYSHOCHFCCM-QKVFXAPYSA-N 425.466 2.285 0 40 IEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 12936147 DVSKPUZKUBJWQU-SFHVURJKSA-N 445.479 2.395 0 40 IEAB O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCN(c2ccc3nncn3n2)CC1 13847711 UVZLRPNCMSXPNH-UHFFFAOYSA-N 436.497 2.428 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 14830971 IUWMLLCOQLCEKF-UHFFFAOYSA-N 446.525 2.456 0 40 IEAB C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 16042830 ZMTXRLGMIGKSIN-KXDDBMSCSA-N 426.270 2.394 0 40 IEAB biogenic Cc1cc2nccc([C@@H]3CCCN3C(=O)CN(C)S(=O)(=O)c3ccc(F)cc3)n2n1 19130711 KALISTSMTMBDRH-KRWDZBQOSA-N 431.493 2.161 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)Cc2nc([C@@H]3CC(=O)N(C(C)C)C3)cc(N(C)C)n2)cc1 19700991 YDGFAGQRTNMQMC-QGZVFWFLSA-N 445.589 2.396 0 40 IEAB CCn1cc(CN2CCO[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)cn1 19762911 HPEGZGBAYDLSGS-HSZRJFAPSA-N 435.528 2.497 0 40 IEAB Cc1nc([C@@H]2CCCN(Cc3ccc(OCCN4CCCC4=O)cc3)C2)ncc1C(N)=O 19763691 MJRAIGICJVGDGA-LJQANCHMSA-N 437.544 2.265 0 40 IEAB COc1ccc([C@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1OC 20105029 IKIDGKVYJSPSMS-AWEZNQCLSA-N 439.509 2.333 0 40 IEAB Cc1cc(NC(=O)CN2CCN(CC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)no1 22841117 GFQWDOLMHKYTJW-GOSISDBHSA-N 439.560 2.295 0 40 IEAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 28982001 YGNNRAHDCRMTAH-LXJMMZIJSA-N 425.510 2.226 0 40 IEAB O=C(c1ccc(Br)cc1F)N1CCN(S(=O)(=O)c2cccnc2)CC1 31997486 RSOZRTKZLBSFKE-UHFFFAOYSA-N 428.283 2.130 0 40 IEAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 32362759 POTMQIBYFSWUPR-MSOLQXFVSA-N 428.510 2.131 0 40 IEAB CCN1CCN(C(=O)[C@H](C)OC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 32858518 VUWLXIVOMRVMKO-LRDDRELGSA-N 425.938 2.239 0 40 IEAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)C2CCN(C(=O)C3CC3)CC2)CC1 40033884 KEPUEGBEYSYPEC-FQEVSTJZSA-N 447.963 2.347 0 40 IEAB O=C1CN(c2ccc(NC(=O)[C@@H]3CCCN(c4ncccc4C(F)(F)F)C3)cn2)CCN1 40108792 WMMFKNYQPOYDTP-CQSZACIVSA-N 448.449 2.287 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN2CCC(c3nnc(-c4ccc(F)cc4)o3)CC2)CC1 49377768 JDVQPKCNORNPJP-UHFFFAOYSA-N 445.495 2.356 0 40 IEAB CCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 58146880 ZICDJBGXXPCHKV-GOSISDBHSA-N 426.517 2.091 0 40 IEAB CCOc1ccccc1NC(=O)Cn1cnc2nc(N3CCN(CC)CC3)sc2c1=O 67225913 LTQJZQPEGMJTND-UHFFFAOYSA-N 442.545 2.032 0 40 IEAB CC(=O)Nc1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)cc1 67317066 PXNXYNPNSLMFAJ-UHFFFAOYSA-N 426.502 2.440 0 40 IEAB COc1ccc(NC(=O)C2=NN(CC(=O)Nc3ccc(OC)c(OC)c3)C(=O)CC2)cc1 67336731 XMAJMGYCZQGOCP-UHFFFAOYSA-N 440.456 2.268 0 40 IEAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NC[C@@](O)(c4ccccc4)C4CC4)cc1c32 70969267 SMNVDSOEOJBOJG-ODCWNRFASA-N 433.508 2.435 0 40 IEAB CC(C)CCN(C(=O)CN1CCC1(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 72308453 DZNXMGQKFLTFBK-UHFFFAOYSA-N 427.549 2.031 0 40 IEAB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)C(C)C)C2)c1 79108672 RJUZKGOSHOXIDI-KRWDZBQOSA-N 445.541 2.483 0 40 IEAB COc1ccc(CCn2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccc3c2=O)cc1 79491242 NPLUJBNRTHEZCX-QGZVFWFLSA-N 440.521 2.170 0 40 IEAB O=S1(=O)C[C@@H](N(Cc2ccco2)Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H](O)C1 89857547 DQNPUNHDBTYEPU-YADHBBJMSA-N 427.526 2.114 0 40 IEAB COc1ccc([C@H](O)[C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)cc1 95444125 VDGFYCPAQOIYIV-FOIQADDNSA-N 435.546 2.060 0 40 IEAB CN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 222850978 KFSZJCAXUXXOKH-UHFFFAOYSA-N 436.515 2.231 0 40 IEAB CCSc1nnc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)s1 224110364 AJNXYUVYNGBYPI-UHFFFAOYSA-N 444.560 2.216 0 40 IEAB O=C(c1ccc(OC[C@@H]2CCCO2)nc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 244983894 IWDSXTMTJHOHIG-IBGZPJMESA-N 425.485 2.326 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)c3c(OC)cccc3OC)C2)nc2c1CCN(C(C)=O)C2 257235638 GYSSYMXCSSGRRM-HNNXBMFYSA-N 439.516 2.070 0 40 IEAB CC(C)[C@@H](C(=O)OCC(=O)N[C@@H](C)c1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408668772 VMCLJVBGLQDUGZ-PYEJMUHDSA-N 426.513 2.463 0 40 IEAB CN(C)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 575421499 ISUSUHASPGSHMI-LJQANCHMSA-N 428.620 2.474 0 40 IEAB Cc1cc(OC[C@@]2(O)CN(Cc3cccc(OCCN(C)C)c3)CC[C@@H]2O)ccc1F 585281828 BQUITADESDDQEF-ZEQRLZLVSA-N 432.536 2.451 0 40 IEAB C[C@H](OC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCc2ccccc21 8631493 GUXKGWJGIOSUNN-AWEZNQCLSA-N 436.917 2.482 0 40 IEAB COc1ccc(CCn2c(C)cn3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)cc1OC 9124253 JFRBEEJYKCWJET-UHFFFAOYSA-N 439.516 2.374 0 40 IEAB COc1ccc(OC)c([C@@H]2C/C(=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)NN2)c1 9420393 PTCZYQHYGWNJJU-ROAZCBAYSA-N 442.859 2.433 0 40 IEAB CCOC(=O)C1=C(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)NC(=O)N[C@@H]1C 9666115 BQGNNHYUWOLGIS-SNVBAGLBSA-N 448.570 2.484 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)CSc2nccn2Cc2ccccc2)cc1 9714871 FAUCJRYYOVPXPQ-UHFFFAOYSA-N 430.555 2.030 0 40 IEAB Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)nnn1-c1cccc(C(F)(F)F)c1 10271987 JGKSZVBLLGASJK-UHFFFAOYSA-N 425.392 2.494 0 40 IEAB CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691758 USWKMVUNMKVHGY-NRUUGDAUSA-N 427.242 2.398 0 40 IEAB COc1cccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3c(c2=O)SCC3)c1 12140655 OBXOJXYWNSDAPJ-OAHLLOKOSA-N 433.555 2.277 0 40 IEAB COc1cc(CC(=O)N2CCC(c3ncccc3S(C)(=O)=O)CC2)cc(OC)c1OC 12144056 FOQNADOTBIEBDU-UHFFFAOYSA-N 448.541 2.460 0 40 IEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 12794852 YVYJOLODKAXTKI-AEFFLSMTSA-N 434.489 2.277 0 40 IEAB Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2NCCCc2ccccc2)ccc1F 13371920 IKIYTDCEWYNCOI-PMACEKPBSA-N 425.547 2.296 0 40 IEAB CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O 14165940 HFPGQTJTVQXFHZ-QFIPXVFZSA-N 440.525 2.440 0 40 IEAB COc1ccc([C@H]2CCCN2CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c(OC)c1 14199713 MRWWQBNIVRODLZ-HXUWFJFHSA-N 445.541 2.077 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 14908947 MIYCDMBOGBMJDZ-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1ccc(Cl)cc1 18156253 XNADEMJDTBWSLX-MOPGFXCFSA-N 441.919 2.263 0 40 IEAB COc1ccc(CN2CCC(N3C(=O)NC4(CCN(C(=O)C(C)C)CC4)C3=O)CC2)cc1 19699432 OOHPAONFOIVQSQ-UHFFFAOYSA-N 442.560 2.229 0 40 IEAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCN2S(=O)(=O)c2cnn(C)c2)n1 19766741 WTJRLZHSIIJDSL-SFHVURJKSA-N 432.550 2.107 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)CN2C(=O)c3ccccc3O[C@H](C)C2=O)c1 21790323 ULIYUQDIAUMQIU-OAHLLOKOSA-N 444.509 2.350 0 40 IEAB C[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21 22613299 HOIFMECXRIOZEO-INIZCTEOSA-N 430.526 2.303 0 40 IEAB CS(=O)(=O)N1CCC(c2nn(Cc3ccc(F)cc3)c(=O)n2-c2cccs2)CC1 23141021 DBYWOJVCNILOKK-UHFFFAOYSA-N 436.534 2.422 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)ccc1C 23509080 HUMBDXSUJDITSW-QZTJIDSGSA-N 425.595 2.255 0 40 IEAB Cc1nn(C)c2ncc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cc12 23750181 MNYKHYLBZJGVCB-UHFFFAOYSA-N 426.908 2.327 0 40 IEAB CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1CCN(C(=O)C2CC2)CC1 32908666 KONMSYVUVLYRHU-GOSISDBHSA-N 441.981 2.160 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccccc1 33939263 UWRUZLRFVUKCSY-QUHSPFQSSA-N 437.521 2.457 0 40 IEAB O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C(=O)NC3CCCCC3)[C@]23C=C[C@H]1O3 33939989 KVXGJFXNCYBZOS-WGMIXOHXSA-N 449.551 2.065 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)N=C(c2cccc(C)c2)C(=O)N3)c1 35432557 RBFYVZDVBCBKBI-UHFFFAOYSA-N 443.525 2.112 0 40 IEAB O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H](c1ccc(F)cc1)c1cccs1 36007167 CYXFSUAYTHDBHF-WIYYLYMNSA-N 431.533 2.416 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)NCCCC3(C4OCCO4)CCOCC3)CC2=O)cc1 72297913 ODLSNAGBWGHZDB-KRWDZBQOSA-N 432.517 2.114 0 40 IEAB NC(=O)c1cccc(CNC(=O)c2c[nH]c3ccc(I)cc3c2=O)c1 89774456 NWAYOZGOGLKQHJ-UHFFFAOYSA-N 447.232 2.162 0 40 IEAB COCCOc1c(Cl)cccc1NC(=O)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 95971983 GIAJTMFXLLGWCR-HNNXBMFYSA-N 445.969 2.138 0 40 IEAB Cn1c(CCNC(=O)c2cc(Br)ccc2-n2cnnn2)nc2ccccc21 96231370 BXXAYLJFHZHUEV-UHFFFAOYSA-N 426.278 2.284 0 40 IEAB O=C(CCCNC(=O)NC1CCCCC1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 107591632 NPHAJZFYFPBXQX-UNMCSNQZSA-N 430.593 2.398 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223077902 FIBBDLJHPFHAPY-HXUWFJFHSA-N 449.548 2.454 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(O[C@H]2CCOC2)nc1 225708600 GIJXAYHFAKJKDT-INIZCTEOSA-N 441.469 2.092 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCSCC2)cc1 245053525 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449.385 2.381 0 40 IEAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccccc3C(=O)O)c2=O)=N1 409037004 MPBZVAYZWCMQBG-ITICKHJUSA-N 448.500 2.497 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 409271701 WBJBCWVYZHPKRX-CYBMUJFWSA-N 434.470 2.053 0 40 IEAB CS(=O)(=O)Nc1cccc(CC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 500546259 BAVKTSQRLKHSMV-AWEZNQCLSA-N 439.896 2.315 0 40 IEAB C[C@@]1(c2ccc(CNC(=O)N3CCO[C@]4(CCc5ccccc54)C3)cc2)NC(=O)NC1=O 512109116 ZOCVUUWZOWTXEV-BJKOFHAPSA-N 434.496 2.125 0 40 IEAB CCN(CC)C(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 520424465 KMWMYQVYFGPYBL-SFHVURJKSA-N 425.485 2.406 0 40 IEAB O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3348001 NSBUZWRFGUHTDS-UHFFFAOYSA-N 429.420 2.290 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)Cc2ccco2)cc1 3427047 DGVLJEBQLUTBAL-UHFFFAOYSA-N 443.481 2.217 0 40 IEAB CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)c(Cl)c1 3588283 WLXGGYVUALUMJY-UHFFFAOYSA-N 430.357 2.432 0 40 IEAB 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COc1ccc([C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)N(C)S(=O)(=O)N2)cc1OC 12129888 NCVNHBIWFMQESS-JCGIZDLHSA-N 433.530 2.161 0 40 IEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 12321352 JVXXDEQCJILLKH-APWZRJJASA-N 435.480 2.430 0 40 IEAB O=C(N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1(c2ccccc2)CCC1 12772118 LRPXUVWHOUDXCD-UHFFFAOYSA-N 442.537 2.413 0 40 IEAB Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c(=O)[nH]1 12880254 HJSIGLPFHXBRJO-UHFFFAOYSA-N 438.937 2.396 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 13133617 NTSSXLQCENGRNV-INIZCTEOSA-N 431.514 2.441 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1 15563179 IDYZBMLWXLMMJN-UHFFFAOYSA-N 435.480 2.440 0 40 IEAB O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CCN(Cc2ccccc2)CC1 17357920 APRZYOBIMYDHTA-UHFFFAOYSA-N 442.313 2.390 0 40 IEAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C1)N2 19127606 CJBZOOYMCMBOMK-APIJFGDWSA-N 434.484 2.152 0 40 IEAB COCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 20038683 CTJZYDDILMRHQX-UHFFFAOYSA-N 431.514 2.381 0 40 IEAB CC(C)(C)[C@H]1CCc2c(sc3nc(CN4CCN(S(C)(=O)=O)CC4)[nH]c(=O)c23)C1 20143531 BAUNQYJNPLGIMI-ZDUSSCGKSA-N 438.619 2.213 0 40 IEAB COc1cccc2cc(-c3ccc(OCC(=O)NCCN4CCOCC4)cc3)c(=O)oc12 20426580 QIHIJDOOOKJDKB-UHFFFAOYSA-N 438.480 2.296 0 40 IEAB C[C@@H](NC(=O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2)cc1 22790877 JKMVYPYLZPAZTH-XXBNENTESA-N 441.597 2.336 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccco4)nn3)C2)cc1 23142949 FWZBMFOZBCTURO-AWEZNQCLSA-N 427.486 2.239 0 40 IEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2c(OC)nc(N)nc2s1 30885379 WSIMMBBWZCTFQD-CQSZACIVSA-N 425.470 2.278 0 40 IEAB CCOC(=O)[C@@H]1CSCCN1CC(=O)Nc1ccccc1I 31578908 GIOISMIOWBALHK-ZDUSSCGKSA-N 434.299 2.210 0 40 IEAB CCOc1ccc(CN(C(=O)[C@@H]2COc3ccccc3O2)[C@@H]2CCS(=O)(=O)C2)cc1 32594227 FHXHTJPWRPLGBQ-UTKZUKDTSA-N 431.510 2.441 0 40 IEAB COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3CC(C)(C)C)N2C)cc1 35442417 ZJDKSVQPQOMXGQ-DWLFOUALSA-N 430.593 2.011 0 40 IEAB biogenic,in-vitro Cc1nn(C)c2ncc(NC(=O)Cn3cnc4ccc(Br)cc4c3=O)cc12 40106600 ACNQCWNPIFIXJR-UHFFFAOYSA-N 427.262 2.388 0 40 IEAB COCc1nnc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CC(C)C)s1 40284753 OABBJFJOILSPJV-FQEVSTJZSA-N 429.502 2.258 0 40 IEAB COc1ccc(C)cc1-n1nnnc1SC[C@@H](O)CN1CCN(c2ccccc2)CC1 58438342 LFMVYLPWNFHPQC-IBGZPJMESA-N 440.573 2.255 0 40 IEAB CCN(CC)[C@@H](CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)c1cccc(OC)c1 60269809 YPWFOJYQBWSLMP-NRFANRHFSA-N 446.573 2.247 0 40 IEAB NC(=O)C1CCN(CC(=O)NC2CCN(CC3(c4ccccc4F)CCCC3)CC2)CC1 72393504 MASYKHQKAITLDA-UHFFFAOYSA-N 444.595 2.415 0 40 IEAB O=C(c1ccccn1)N1CCC(c2nc3c(c(=O)[nH]2)CN(C(=O)c2cccs2)CC3)CC1 72398900 HXJOHSZPZHAPLT-UHFFFAOYSA-N 449.536 2.445 0 40 IEAB COCCn1nc([C@H]2CCCN(C(=O)c3ccc(NC(C)=O)cc3)C2)n(C2CC2)c1=O 77150155 AJKQWJUBPUEXPG-KRWDZBQOSA-N 427.505 2.004 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 222460949 ZLYNKLWFPVISBG-INIZCTEOSA-N 435.521 2.063 0 40 IEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccccc2)no1 223565717 OXPKIVBJXIVQPN-CQSZACIVSA-N 430.486 2.216 0 40 IEAB CCN(c1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1)S(C)(=O)=O 224565727 ISMRHTPGCAYKHG-UHFFFAOYSA-N 431.558 2.235 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 225129541 PSWOIWJTWRTUBE-UHFFFAOYSA-N 436.515 2.086 0 40 IEAB CNC(=O)c1cccc([C@H]2CN(CC(=O)NCc3ccccc3Cl)CCN2C(C)=O)c1 257223322 DWVOPVSJPKZAKN-OAQYLSRUSA-N 442.947 2.221 0 40 IEAB Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)C[C@H](Cc3cnccn3)C2)nn1C 257246682 IVHBENFIFWGILG-NRFANRHFSA-N 433.560 2.134 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)cc1 260800835 YREWDCJXNUTERR-HOTGVXAUSA-N 436.530 2.442 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 408597097 WJLYGIDNUKRXIV-CQSZACIVSA-N 425.913 2.495 0 40 IEAB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)Nc1ccc(F)cc1 408650608 BWARYCWDSUQYOK-ZDUSSCGKSA-N 433.823 2.154 0 40 IEAB CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccccn1 409171344 ZMQDZJUKAGMWIT-UHFFFAOYSA-N 440.529 2.291 0 40 IEAB O=C(NCCN1CCCC1=O)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584507 OVYITRUHESRBTK-UHFFFAOYSA-N 437.540 2.128 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 6545335 MSASDIIRSWJFCC-DDYRAIOVSA-N 438.461 2.120 0 40 IEAB C[C@]1(C2CC2)NC(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1=O 8721439 VMGCCTRUKBAUBR-LJQANCHMSA-N 440.422 2.201 0 40 IEAB O=C(Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C1=CC=CN2CCS(=O)(=O)N=C12 8825542 BALORHIJGYDUPG-UHFFFAOYSA-N 440.355 2.215 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)CC2)cc1 9512655 PWTCTQGTADPPDG-SFHVURJKSA-N 429.542 2.037 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(F)c(C)c2)c1 10552181 JJSCSENHBAHWCM-UHFFFAOYSA-N 435.521 2.211 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1 10912947 CAUWJWABQOMIOB-UHFFFAOYSA-N 445.463 2.455 0 40 IEAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(OC)ccc3OC)n2N)cc1 10921550 OIKUOJPTSPMBOY-UHFFFAOYSA-N 429.502 2.339 0 40 IEAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccc(F)cc3)CC2)c1 11796683 UYRPKPKVNYNOAU-UHFFFAOYSA-N 449.548 2.171 0 40 IEAB O=C1C[C@H](C(=O)NCCc2ccccc2)c2c(nc(N3CCc4ccccc4C3)[nH]c2=O)N1 12407688 MJFHAOOYPKKDER-IBGZPJMESA-N 443.507 2.117 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)c1C 13062659 KNRCXQYOMTYJSS-AWEZNQCLSA-N 439.559 2.057 0 40 IEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCn1c(=O)oc2ccccc21 14244525 HITUQKYMQRXJKH-UHFFFAOYSA-N 436.468 2.286 0 40 IEAB CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)N4CCCCC4)CC3)C2=O)cc1 15321544 AKBZNUZONBETCG-HXUWFJFHSA-N 441.528 2.220 0 40 IEAB CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 15632616 HPOGDXLZDUYPMQ-UHFFFAOYSA-N 448.497 2.145 0 40 IEAB COc1ccccc1OCC(=O)N1C[C@@H](c2ccc(F)c(F)c2)[C@@]2(COCCC(=O)N2)C1 19571449 PLRTUPLOSKFEIK-HJPURHCSSA-N 446.450 2.254 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F 19743744 FWDTXMNIDMCDDV-SFHVURJKSA-N 439.535 2.324 0 40 IEAB CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1cccn(C)c1=O 23136275 OJOUARRILWLPOP-UHFFFAOYSA-N 427.486 2.181 0 40 IEAB CNC(=O)CSc1nnc(N2CCN(C(=O)COc3ccc(C(C)C)cc3)CC2)s1 23141714 JNFFHBLWKGWGSR-UHFFFAOYSA-N 449.602 2.227 0 40 IEAB COc1ccc(Cc2nnc(SCC(=O)Nc3cc(C)ccc3C)n(N)c2=O)cc1 27752241 GHVHZJMHFIDLSD-UHFFFAOYSA-N 425.514 2.299 0 40 IEAB Cn1c(Cl)cnc1CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 31583227 XUJDBVQAXWRBNG-UHFFFAOYSA-N 439.788 2.404 0 40 IEAB COCCNC(=O)c1nc(-c2cccs2)cc2c1nc(C)n2[C@@H]1CCS(=O)(=O)C1 32616007 AJSDKAZVTUXBIU-CYBMUJFWSA-N 434.543 2.204 0 40 IEAB CN(C)S(=O)(=O)c1ccc(=O)n(CCC(=O)N[C@H](c2ccccc2)c2cccs2)c1 32871131 YNUBSACBJGQSCM-OAQYLSRUSA-N 445.566 2.456 0 40 IEAB COc1cccc(/C=C2\SC(=O)N(CC(=O)N[C@H](CO)Cc3ccccc3)C2=O)c1 33558633 KYRGBVBNJZXGJR-LSPINASFSA-N 426.494 2.451 0 40 IEAB COc1cc(NC(=O)CC[C@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)cc(OC)c1 36602124 UCWMLKOFMVBQHB-QGZVFWFLSA-N 441.440 2.476 0 40 IEAB CCOC(=O)NCC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 40081968 XRNVNROBTYMLDZ-UHFFFAOYSA-N 437.474 2.189 0 40 IEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 40142603 XGZSOMCABCBQPN-GOSISDBHSA-N 445.541 2.152 0 40 IEAB COc1ccc(CCNC(=O)COC(=O)c2sc(-c3ncccn3)nc2C)cc1OC 40150445 GHAWILKNPHHSDN-UHFFFAOYSA-N 442.497 2.441 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)Cn3nc(-c4ccc(F)cc4)ccc3=O)ccc21 44900986 MRMATRBEVJMNQJ-UHFFFAOYSA-N 427.457 2.254 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1nc2ccccc2n1C(F)F 48235083 GWVAUHUZFCXQKN-VIFPVBQESA-N 435.412 2.001 0 40 IEAB O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1 69149169 ZBLTUVSXAHBSJF-UHFFFAOYSA-N 438.347 2.076 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1 96225101 XREQQKJXFTZOAJ-OAQYLSRUSA-N 428.514 2.006 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)Nc4ccc(Cl)cc4)[C@H]3C2=O)cc1OC 101169807 QXTDQFHPEQLLPL-QZTJIDSGSA-N 443.847 2.289 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCCCN1CCCc2ccccc21)c1ccccc1F 219245477 SDTLVWXZEVRYQP-UHFFFAOYSA-N 448.564 2.398 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)s1 223880390 TXYPWFXCXSEJFY-GFCCVEGCSA-N 426.520 2.476 0 40 IEAB CS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1 225616149 KFLLSVFGQDPLLT-UHFFFAOYSA-N 430.526 2.063 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)N[C@@H]3C[C@H]4C(=O)Nc5ccccc5N4C3)n(C)n2)c1 225628381 SDTTVJLKNYSIBW-SZNDQCEHSA-N 447.495 2.434 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@@H]2CN(Cc2ccccc2)S3(=O)=O)cc1 225948090 SVHFTGFJAYCGAX-VGSWGCGISA-N 444.509 2.171 0 40 IEAB CN1CCN(CC(C)(C)NC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 248212422 DUBGTBXOXDDQON-NOEFBULQSA-N 440.588 2.084 0 40 IEAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CCN(Cc3ccc(Cl)cc3)C2)cs1 306125038 CFJDUXRZTMZBBK-NRFANRHFSA-N 443.960 2.419 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(Cc2ccccc2)CC1 408589370 FFQAJMWTBNDSFW-SFHVURJKSA-N 431.558 2.015 0 40 IEAB CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(C)(=O)=O 408609558 PCZMTXOFZDGYBX-OAHLLOKOSA-N 431.514 2.244 0 40 IEAB Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)Nc1ccnn1Cc1ccc(F)cc1 614652973 MYVQQIKREVTYCK-UHFFFAOYSA-N 435.463 2.400 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N(C)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1 1565522989 DORAZUDZGANFBZ-UHFFFAOYSA-N 446.508 2.049 0 40 IEAB CC(=O)C1=NO[C@@H](CN(N(C)c2ncc(C(F)(F)F)cc2Cl)S(C)(=O)=O)C1 1388711 MBHFRCWRDMDANJ-SNVBAGLBSA-N 428.820 2.101 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2627389 DSRMOJMZVOZMNY-MRXNPFEDSA-N 447.582 2.441 0 40 IEAB COCCNC(=O)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 3284753 ICCVJBVGFRVITN-UHFFFAOYSA-N 427.530 2.115 0 40 IEAB CCCn1c(=O)n(Cc2c(C)noc2C)c(=O)c2c1nc(C(F)(F)F)n2CCOC 3341660 YNMZZGOEUCXBCT-UHFFFAOYSA-N 429.399 2.088 0 40 IEAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 9744169 UCBZLRNFHPJHML-UHFFFAOYSA-N 434.543 2.236 0 40 IEAB COc1ccc(NC(=O)Cn2cnc3c(nnn3-c3cccc(Cl)c3)c2=O)cc1OC 9857636 ISMJDHTWPVQJQT-UHFFFAOYSA-N 440.847 2.287 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 9884151 SHWODKDCGSBZLB-UHFFFAOYSA-N 426.502 2.269 0 40 IEAB Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCNc1ccc(Br)cc1 10049318 OVGHEYQIRHSPOV-UHFFFAOYSA-N 445.321 2.178 0 40 IEAB C[C@H](C(=O)NCc1ccc2c(c1)OCO2)N1C(=O)N[C@@]2(CCCc3sccc32)C1=O 12697872 JNAFRYPBGFZIGY-XUSGNXJCSA-N 427.482 2.265 0 40 IEAB Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1 12765274 JTLGEZUFAVRJPD-KRWDZBQOSA-N 446.920 2.322 0 40 IEAB CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1c(F)c(F)c(OC)c(F)c1F 12816850 KHHJBJVLJKKBAD-NSHDSACASA-N 432.395 2.113 0 40 IEAB CC(=O)N[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 12909832 VYAWOWMYTOHOMN-OAQYLSRUSA-N 429.542 2.095 0 40 IEAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)ccc21 14241404 XJQVXMUOEHUFJO-ZMYBRWDISA-N 438.480 2.051 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cc(F)ccc3F)CC2)cc1 14916457 JFUNJDHZUKMRQZ-AWEZNQCLSA-N 439.484 2.307 0 40 IEAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 15850822 SLKYZZZLMBGEAW-GFCCVEGCSA-N 445.859 2.231 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c(C)nn(C)c3C)CC2)cc1 16237097 MXVIATJVXFEZJA-UHFFFAOYSA-N 448.545 2.253 0 40 IEAB COc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)[C@H]3CCCN3S(C)(=O)=O)sc2c1 16847974 BMLQXXUHKPRBJT-GOEBONIOSA-N 439.559 2.241 0 40 IEAB C[C@H]1Cc2cc([C@@H](O)CN3CCC(NC(=O)C4CCCC4)CC3)ccc2N1S(C)(=O)=O 19497860 HLSNKMNTXWKVML-AOMKIAJQSA-N 449.617 2.201 0 40 IEAB CCn1cc(CN2C[C@@H](C(=O)NC(C)C)[C@H](c3ccnc(N4CCCCC4)n3)C2)cn1 19524998 UXLCBJMNXRMNRI-WOJBJXKFSA-N 425.581 2.424 0 40 IEAB CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CN(C(=O)c2cnccn2)CCO1 19529337 SDRHQPMNFJOQSI-DEOSSOPVSA-N 431.496 2.129 0 40 IEAB CNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 19591360 AIGQURRXXSJXBF-FDDCHVKYSA-N 425.554 2.401 0 40 IEAB Cn1c(=O)c2c(C(F)(F)F)cc(C3CCN(C(=O)c4ccccn4)CC3)nc2n(C)c1=O 19744814 CMSYADBGQFBDIR-UHFFFAOYSA-N 447.417 2.066 0 40 IEAB Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc2c(c1)C[C@H](NC(=O)C1CCCC1)C2 19749582 ZVWMOOXGZZDXQR-HXUWFJFHSA-N 444.601 2.332 0 40 IEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 20744279 CJWBIHOFTGFYLU-UHFFFAOYSA-N 426.498 2.005 0 40 IEAB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccccc1Cl 22228796 KWTGKLQXKRXQTF-UHFFFAOYSA-N 435.933 2.422 0 40 IEAB Cc1cccc2c(=O)n(CCC(=O)NCc3cccc(S(=O)(=O)NC(C)C)c3)cnc12 23111762 NPQAANOXAIUIEK-UHFFFAOYSA-N 442.541 2.098 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CCN(C(=O)C2CC2)CC1 24335993 MAIXXFYMQGXFOV-UHFFFAOYSA-N 433.452 2.114 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)c(C)c1 28089988 AASNVMAABNSIPZ-UHFFFAOYSA-N 436.574 2.378 0 40 IEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1CCN(C(=O)NCc2ccco2)CC1 32913648 PPVLMSJRUVNSRL-UHFFFAOYSA-N 429.502 2.158 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)c1 36360568 JCHFTVUNSBZWAN-MRXNPFEDSA-N 429.498 2.131 0 40 IEAB COc1cc(NC(=O)Cn2c(=O)n(CC(C)C)c(=O)c3ccccc32)cc(OC)c1OC 40478616 PQYIBGSIDHTBIK-UHFFFAOYSA-N 441.484 2.484 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1 77196716 KZHGVHXHHFLFJM-UHFFFAOYSA-N 440.529 2.398 0 40 IEAB O=C(CN1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1)N1CCOCC1 79016473 ILFSDVUODNWHCA-UHFFFAOYSA-N 426.304 2.024 0 40 IEAB O=C(N1CCOCC1)[C@]12CCCN(Cc3ccsc3)C[C@H]1CN(c1ncccn1)C2 96056164 PTLMZNMVNPSWDJ-UGKGYDQZSA-N 427.574 2.116 0 40 IEAB CCN1CCN(c2ccc(C)nc2)C(=O)C12CCN(S(=O)(=O)c1cccs1)CC2 96230362 FEGWLBFUMJGFLK-UHFFFAOYSA-N 434.587 2.344 0 40 IEAB C[C@H]1CN(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)CCN1C1COC1 98181629 UXOMKAJIELSAKD-ZDUSSCGKSA-N 434.338 2.196 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5cccs5)[C@H]34)[C@@H]2C1=O 102786296 DVRQTSNAVXBUAN-TYGUYOHISA-N 448.547 2.056 0 40 IEAB CCOC(=O)C1(C(=O)OCC)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 218155081 AIEXJYSCZIUPBH-OALUTQOASA-N 446.477 2.468 0 40 IEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O 222909920 OLIBFAWFJYCTAA-IBGZPJMESA-N 445.585 2.439 0 40 IEAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225686661 RDRZSNDDZNPCOK-IBGZPJMESA-N 445.585 2.437 0 40 IEAB CCc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccccc2)cc1 409025367 PZEDIJLARCXULV-UHFFFAOYSA-N 429.542 2.168 0 40 IEAB COc1cc([C@@H](CC(=O)NCCCn2cccn2)c2oc(C)cc(=O)c2O)ccc1O 524730946 DCZWXJHWKSCNLN-MRXNPFEDSA-N 427.457 2.293 0 40 IEAB biogenic O=C(O)c1ccc(Cl)c(S(=O)(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c1 575426262 PXQAMSNWLKFOJT-AWEZNQCLSA-N 429.903 2.421 0 40 IEAB CCOC(=O)[C@]12CCCN(C(=O)c3cn(C)nc3C(F)F)C[C@H]1CN(c1ncccn1)C2 585108101 ZDOLEMHYXFWBIP-QKKBWIMNSA-N 448.474 2.070 0 40 IEAB OC1(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)CCN(c2ccc(F)cc2)CC1 585287646 PYHIPLQWOLGSKX-DEOSSOPVSA-N 448.510 2.438 0 40 IEAB O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 1270862096 WGPAHOCMYJHYBB-UHFFFAOYSA-N 429.477 2.094 0 40 IEAB CC(C)(C)c1ccc(OCC2CCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)CC2)nn1 1775966272 ZTMDLYHMMBBVEP-GOSISDBHSA-N 444.576 2.419 0 40 IEAB CCOC(=O)C1=C(C)Nc2sc3c(=O)[nH]c(=O)[nH]c3c2[C@@H]1c1ccc(C(=O)OC)cc1 8782904 YFDLDBZVLSNFAV-CYBMUJFWSA-N 441.465 2.459 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)c1 8816450 PCHDRACWMNRZEB-CQSZACIVSA-N 426.425 2.260 0 40 IEAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)Nc1ccc(C(F)(F)F)cc1 8848681 UPCWAKDOBLDVEE-UHFFFAOYSA-N 431.374 2.214 0 40 IEAB COc1ccc(N2CCn3c2nc2c3c(=O)n(Cc3ccccc3)c(=O)n2C)c(OC)c1 9540750 QEBNAASJDRDADU-UHFFFAOYSA-N 433.468 2.114 0 40 IEAB Cc1ccccc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 9665591 SWSSLGSBKJHTJJ-UHFFFAOYSA-N 432.498 2.120 0 40 IEAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1 9747304 QRMLEUYKSOXWQU-KRWDZBQOSA-N 441.981 2.448 0 40 IEAB CCCc1cnc2c(c1SCC(=O)Nc1ccc3c(c1)OCO3)c(=O)n(C)c(=O)n2C 10216718 LMIPDJNKWXZOTG-UHFFFAOYSA-N 442.497 2.044 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1 10662756 HXXOLBADIITLCU-UHFFFAOYSA-N 428.308 2.201 0 40 IEAB CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O 12377748 WYAMNJUPQNEGOI-LFCBLZOASA-N 436.504 2.449 0 40 IEAB COc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1S(=O)(=O)N1CCOCC1 12622539 MUVOSOSYLFHVRY-UHFFFAOYSA-N 434.518 2.280 0 40 IEAB O=C(CN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccccc1)NCc1ccco1 13150953 OBHUHQQFJAWUGN-UHFFFAOYSA-N 445.472 2.047 0 40 IEAB COc1cc(C(C)=O)ccc1OCC(=O)NCCn1nc(-c2cccs2)ccc1=O 13605226 HFUGKMQOIWEXON-UHFFFAOYSA-N 427.482 2.378 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccccc2C(=O)NC(C)C)Oc2ccccc21 13678987 CDDXHTCMRKCJNH-IBGZPJMESA-N 431.514 2.381 0 40 IEAB O=C(c1ccc(-c2nnn[nH]2)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 14168382 XGVYSKMOAXCAHU-UHFFFAOYSA-N 448.508 2.167 0 40 IEAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCN(C(=O)C2CC2)CC1 14170893 YQJIIYHDNNVHNL-UHFFFAOYSA-N 425.558 2.377 0 40 IEAB O=C(CN1C(=O)C(=O)N(CCC2=CCCCC2)C1=O)c1c[nH]c(C(=O)N2CCCC2)c1 14184897 XPNJGRXEOCHISS-UHFFFAOYSA-N 426.473 2.115 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 14232188 SCBYFHVTJLCFTB-IBGZPJMESA-N 429.542 2.269 0 40 IEAB O=C(CCc1nc(-c2cccs2)no1)N1CCN(S(=O)(=O)c2ccccc2)CC1 14245751 AQHQYLWZEOSOCT-UHFFFAOYSA-N 432.527 2.264 0 40 IEAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCOCC1 15003074 YPDORXNITAIQCY-UHFFFAOYSA-N 430.404 2.386 0 40 IEAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCC4(CC=CNC4=O)CC3)c(Cl)cc21 19524227 NYYUDYLEOOIFDK-UHFFFAOYSA-N 425.894 2.072 0 40 IEAB Cn1c(=O)c2ccc([C@@H]3CCCN(c4cnccn4)C3)nc2n(Cc2ccccc2)c1=O 19743076 QXLSJIFPNFYFQA-GOSISDBHSA-N 428.496 2.318 0 40 IEAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCN3C(=O)c3ccccn3)nc2n(C)c1=O 19743628 LOFKDCKTUHFLGD-AWEZNQCLSA-N 433.390 2.023 0 40 IEAB CCc1noc(C)c1C(=O)N1CCC(c2ccc(C(=O)N3CCN(C)CC3)cn2)CC1 19752800 QBHJWCJRCKPMBM-UHFFFAOYSA-N 425.533 2.348 0 40 IEAB COc1ccc(N(CC(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)cc1Cl 22337915 ZFJJDOPGIXZLHP-UHFFFAOYSA-N 425.938 2.367 0 40 IEAB COc1ccc(-c2nnc(COC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)o2)cc1 23805529 HPPFHIMWEGHFRS-UHFFFAOYSA-N 428.445 2.289 0 40 IEAB CSc1ccc(N2C[C@H](C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)CC2=O)cc1 24924596 ORTZTSAOLGEEBJ-PEBXRYMYSA-N 438.509 2.260 0 40 IEAB O=C(c1cccnc1S)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 25041685 DDAQYGJUMZWSCQ-UHFFFAOYSA-N 448.389 2.341 0 40 IEAB O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 25930714 XGMNEZIQRIOMQD-HNNXBMFYSA-N 446.935 2.454 0 40 IEAB COc1ccccc1CN(C)C(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 30870386 UTBJIIIVVSBZFF-OAHLLOKOSA-N 434.514 2.280 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4nnco4)cc3)CC2)cc1 32727634 SWOCWHWUETZEAP-UHFFFAOYSA-N 442.497 2.282 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 40157981 SUVIJIZRIWHWLC-UHFFFAOYSA-N 446.573 2.424 0 40 IEAB CCCCN(C(=O)CN(C1CC1)[C@@H](C)c1ccccn1)c1c(N)n(CCC)c(=O)[nH]c1=O 40158632 JTIMTSINWFUJKE-INIZCTEOSA-N 442.564 2.283 0 40 IEAB COc1ccc(NC(=O)Cn2nc3c(N4C[C@H](C)C[C@@H](C)C4)nccn3c2=O)c(OC)c1 49400190 YKQONQPXDIZMBL-HUUCEWRRSA-N 440.504 2.029 0 40 IEAB O=C(CCNC(=O)Nc1ccc(N2CCc3ccccc32)cc1)N[C@@H]1CCS(=O)(=O)C1 69738597 ISGGCWHFGUNTBM-GOSISDBHSA-N 442.541 2.196 0 40 IEAB COc1cc(OC)c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c(OC)c1 71850245 CRRFHOFVTGKJSH-HNNXBMFYSA-N 440.543 2.243 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1CN1CCc2c(nc(N3CCOCC3)[nH]c2=O)C1 72335524 MPIGMAXQZXEFDS-UHFFFAOYSA-N 434.544 2.026 0 40 IEAB CCN(CC)CCNC(=O)c1ccc2nnc([C@@H]3CN(CC4CC4)CCN3C(C)C)n2c1 96156815 ZENOYESINZJDFU-NRFANRHFSA-N 441.624 2.278 0 40 IEAB O=C(NCCCN1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 219992838 JAPLWZPPFCJDEQ-UHFFFAOYSA-N 443.569 2.280 0 40 IEAB CCOC(=O)Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2C)cc1 222815021 UHPDUMRBKGCXFZ-UHFFFAOYSA-N 434.514 2.368 0 40 IEAB O=C1CC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)Oc2cc(O)ccc21 225819738 UHGLZLWCPRXPBQ-UHFFFAOYSA-N 431.466 2.352 0 40 IEAB CCC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(c3ncc(F)cn3)CC2)c(C)c1 252503037 UXRAJCNNKPQPBX-UHFFFAOYSA-N 435.525 2.468 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCC(N3c4ccccc4N(C)S3(=O)=O)CC2)cc1 390831484 SCGPEJQXLCPNCJ-UHFFFAOYSA-N 449.554 2.244 0 40 IEAB Cc1cccc(N2CCC(O)(CN3CC[C@@H]4[C@@H](CCCCN4S(C)(=O)=O)C3)CC2)c1 585282941 JYIUFCXQSHENOK-RBBKRZOGSA-N 435.634 2.462 0 40 IEAB O=C(O)CCC(=O)N[C@H]1CCN2C(=O)c3cc(/C=C/c4ccccc4)ccc3NC(=O)[C@H]12 8296831 SBXZXGHWTXWRSE-HJGXXXIXSA-N 433.464 2.373 0 40 IEAB biogenic,in-vitro Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 9138672 DMKRNTQHZKLTOC-SFHVURJKSA-N 432.498 2.248 0 40 IEAB Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1 9540458 JMQYEMKCPSEJTO-UHFFFAOYSA-N 430.935 2.470 0 40 IEAB CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 9671585 MQIIHEVFMMTVAC-SFHVURJKSA-N 431.905 2.246 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cc(C)ccc4C)[C@@H]3C2=O)cc1OC 9675628 UAQWPEKOMDLDOH-PMACEKPBSA-N 437.456 2.253 0 40 IEAB COCCn1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nc2c([nH]c3ccccc32)c1=O 10245315 XJLRMMDYGGLOKP-KBPBESRZSA-N 430.530 2.252 0 40 IEAB Cc1cc(C)nc(SC[C@H](C)Cn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1 10249056 ABQSQDSTVOECIC-CYBMUJFWSA-N 443.577 2.249 0 40 IEAB CCCCn1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nnc1-c1ccc(OC)cc1 11488830 YVBGJMBULGMPHI-HNNXBMFYSA-N 438.575 2.149 0 40 IEAB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1cc(=O)n2c(n1)sc1ccccc12 12550333 NMKWLIYMUOJKJV-ZIAGYGMSSA-N 425.466 2.128 0 40 IEAB O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12811306 CVNQXONCCJEQEH-FQEVSTJZSA-N 435.496 2.291 0 40 IEAB CCOc1ccccc1C(=O)NCC(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 12947031 JOBCFZVVUWREQK-OAQYLSRUSA-N 441.528 2.013 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 13141203 UNPQUFYTOJBONZ-ZDUSSCGKSA-N 428.441 2.491 0 40 IEAB CC(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc2c(c1)OCCO2 13501425 APKUXCRKNUVHOR-UHFFFAOYSA-N 426.473 2.129 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3Cc4ccccc4S3)CC2)cc1 14414277 IQQNEIHIOKKAMR-HXUWFJFHSA-N 430.551 2.439 0 40 IEAB CC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1 19699418 AUUKGUSLWYLJMF-UHFFFAOYSA-N 440.544 2.250 0 40 IEAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)C1 19741450 CTRPATPAIMQUOV-QGZVFWFLSA-N 435.594 2.240 0 40 IEAB COC[C@H](C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12 19892020 OPSWFIMEUZGJNO-HNNXBMFYSA-N 427.505 2.081 0 40 IEAB CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 21122092 OFBXMZWMYKTWLG-SNVBAGLBSA-N 429.545 2.015 0 40 IEAB C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)OCC(=O)c1ccc3c(c1)OCCO3)C2=O 23701495 ZPDCKRRGHZRFCA-QKFKETGDSA-N 444.484 2.321 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1CC(=O)Nc1ccc2c(c1)OCO2 28721439 JPWPFONEIBXIOU-QHCPKHFHSA-N 447.495 2.329 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(Br)c1 32094064 LQXZGSKNQPSGNA-UGFHNGPFSA-N 446.367 2.289 0 40 IEAB CCCN(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Cc1ccccc1 32773274 QTJQGZFUNSKMBX-HSZRJFAPSA-N 437.540 2.409 0 40 IEAB O=S(=O)(NCc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1Br 32927796 ZHNDNAQLYYZSFZ-UHFFFAOYSA-N 430.299 2.298 0 40 IEAB O=C(COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O)NCc1ccco1 56949832 IJBWMAASQDLGRK-UHFFFAOYSA-N 441.459 2.389 0 40 IEAB O=C(NCCS(=O)(=O)N1CCc2ccccc21)Nc1ccn(Cc2ccccc2)n1 58112260 BKNWLYSCJFHWAC-UHFFFAOYSA-N 425.514 2.445 0 40 IEAB CCOc1ccc(S(=O)(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1OCC 58129227 GKOIEVJLZFHNIW-UHFFFAOYSA-N 434.562 2.109 0 40 IEAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1cccc(Cl)c1 58699317 DIMNSLZWIGRUHB-GOSISDBHSA-N 435.933 2.342 0 40 IEAB C[C@H]1CN(C(=O)CN2CC[C@@]3(CCC2=O)CC(=O)c2cc(Cl)ccc2O3)CC[C@@H]1O 72327680 FAQGORDIXZTEMB-JKXTWKSPSA-N 434.920 2.286 0 40 IEAB CC(=O)N1CCC[C@H](c2ccccc2CC2(C(N)=O)CCN(Cc3cnn(C)c3)CC2)C1 72372420 LJXULDCESJQIQN-QFIPXVFZSA-N 437.588 2.456 0 40 IEAB COc1ccc([C@@H](CNC(=O)CCc2nc(-c3nc[nH]n3)no2)N2CCCCC2)cc1 78718613 WKNYUZJXGBYGIP-QGZVFWFLSA-N 425.493 2.139 0 40 IEAB C[C@@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CN1Cc1ccccc1 79100038 QELNPCHHPKVLMX-KNQAVFIVSA-N 429.586 2.460 0 40 IEAB COc1ccc(C(=O)Nc2ccc(OCC(=O)O)c(Cl)c2)cc1S(=O)(=O)N(C)C 95464069 FQKUBMXVGOCCOT-UHFFFAOYSA-N 442.877 2.315 0 40 IEAB CCc1oc(C(=O)OC)cc1S(=O)(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 95994892 MZQNHEQSFSPLKO-INIZCTEOSA-N 435.546 2.118 0 40 IEAB CCOc1ccc(N2C(=O)C[C@H](N3CCC4(CC3)C(=O)NCN4c3ccccc3)C2=O)cc1 102242849 RLHZBPXHORHYBT-NRFANRHFSA-N 448.523 2.146 0 40 IEAB COc1cccc(-c2noc(CN(C)C(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)n2)c1 219014743 OZZUMZGBIHWUSX-UHFFFAOYSA-N 444.513 2.333 0 40 IEAB Cc1cc(C)cc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 224098361 NLYQGZFRFHSWBI-UHFFFAOYSA-N 431.558 2.048 0 40 IEAB CC(=O)N1CCC[C@](C[C@H]2CC(c3ccccc3F)=NO2)(C(=O)N[C@@H](C)CN(C)C)C1 247980329 JHVXHSRPSOIUHT-PRCFCKQXSA-N 432.540 2.404 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)C3(c4ccccc4F)CCOCC3)C2)nc2c1CCNC2 257232441 GKVSAMUEUDPRGN-INIZCTEOSA-N 439.535 2.367 0 40 IEAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1 257283531 OYSZZEIMELYQBQ-HXUWFJFHSA-N 439.560 2.110 0 40 IEAB COc1cc2ncnc(N3CCN(c4cncc(-c5cnn(C)c5)n4)CC3)c2cc1OC 2298247531 XJETVFXLMHSVMB-UHFFFAOYSA-N 432.488 2.164 0 40 IEAB CCOC(=O)Cn1nnnc1CN(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O 925853 HELPABVEFSYNIM-UHFFFAOYSA-N 436.472 2.182 0 40 IEAB COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cc(OC)cc(OC)c2)cc1 1223348 JBGYBMKTQXRFBJ-UHFFFAOYSA-N 429.458 2.197 0 40 IEAB CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)NCc4ccccc4)CO[C@H]23)cc1 4235826 QARUBXICFLBTAI-DOIPELPJSA-N 439.468 2.472 0 40 IEAB biogenic,in-vitro COc1ccc(/C=C/C(=O)NCc2ccccc2F)cc1S(=O)(=O)N1CCOCC1 8981112 JXZYZNPHVDKXIY-VQHVLOKHSA-N 434.489 2.185 0 40 IEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)Nc1ccc(OC)cc12 9487362 QTVNMWQPISHPAW-QHCPKHFHSA-N 434.404 2.166 0 40 IEAB COc1cc(-c2nnc(SCC(=O)NC(=O)NCc3ccco3)o2)cc(OC)c1OC 9606072 BTDOHGLERIJOBW-UHFFFAOYSA-N 448.457 2.474 0 40 IEAB COc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1 9742898 BCXSSASWLOAMJD-GOSISDBHSA-N 445.541 2.383 0 40 IEAB O=S(=O)(NCc1nnnn1-c1ccc(F)c(F)c1)c1ccc(Br)cc1 10594622 RWYDRBUQEAMIQO-UHFFFAOYSA-N 430.234 2.182 0 40 IEAB CCC(CC)[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)N1CCOCC1 12910305 URAASHRYDMITRV-HRAATJIYSA-N 437.606 2.264 0 40 IEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)CCNC(=O)c2ccsc2)c(=O)[nH]c1=O 12999790 IKKWHAFOUMKBFQ-UHFFFAOYSA-N 449.577 2.180 0 40 IEAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)NC[C@@H]1CCCO1 13555219 OMSAQJHVOXKYFF-SVJMLJPDSA-N 445.585 2.471 0 40 IEAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cc1 14140422 VBXHZADMQVFZQA-NRFANRHFSA-N 430.411 2.072 0 40 IEAB COc1ccc(NC(=O)NCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 14301071 IWZLLYCNSJZHGU-UHFFFAOYSA-N 440.500 2.280 0 40 IEAB Cc1cccc(N2CCN(C(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)CC2)c1C 14400188 LFNXKUXUGPNKHN-UHFFFAOYSA-N 445.585 2.422 0 40 IEAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1 19207735 NOXCUEDPKXXNDO-UHFFFAOYSA-N 449.463 2.279 0 40 IEAB CC(=O)N1CCC[C@H]1c1nc(CN(C)C(=O)Cc2ccc(N(C)C)cc2)cc(N(C)C)n1 19709807 ADZODCFVZCBWPP-NRFANRHFSA-N 438.576 2.493 0 40 IEAB CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)cc2c1 19940708 KTOUXEFKEDDPET-HSZRJFAPSA-N 443.555 2.462 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCCC4)[nH]c(=O)c32)cc1 20677686 RTLGIERXEPQXRR-OAHLLOKOSA-N 439.472 2.001 0 40 IEAB C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1 22790469 CUBADWAPTSNUEK-AEFFLSMTSA-N 449.983 2.301 0 40 IEAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)c2)CC1 32814467 PEZYYBOHSJLXTJ-UHFFFAOYSA-N 442.541 2.002 0 40 IEAB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 40390520 FFCCHRGUAWEAME-KGLIPLIRSA-N 439.472 2.332 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 44908731 GTACRADBEAZCRT-YWZLYKJASA-N 434.514 2.114 0 40 IEAB COc1ccccc1NC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 71328383 JTFFTGNCWZHISJ-UHFFFAOYSA-N 449.423 2.439 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)c3ccc(N(C)C)cc3)C2)ncc1C(=O)N1CCOCC1 72345582 CLSPTYCJXUPPCZ-IBGZPJMESA-N 437.544 2.343 0 40 IEAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2c1 95471154 IHZRTELYJPJBAF-UHFFFAOYSA-N 428.466 2.375 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)Nc1ccc(I)cc1 100394677 ZICDEKHPZFJWES-WQXBFISLSA-N 448.260 2.283 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(C)c4C)[C@H]3C2=O)cc1OC 101169879 WTBZTOZGHURYJC-VQTJNVASSA-N 437.456 2.253 0 40 IEAB Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@@H](Oc4cc(C(F)(F)F)ccn4)C3)cc21 225737058 KZGIAJMFMKDEEN-GFCCVEGCSA-N 443.403 2.387 0 40 IEAB COC(=O)c1ccc(OC)c(NC(=O)[C@H](C)Oc2ccc(N(C)S(C)(=O)=O)cc2)c1 225850827 VELFXPMWYNOBSU-ZDUSSCGKSA-N 436.486 2.284 0 40 IEAB CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 226045109 RGXQJJYAKWSMIR-UHFFFAOYSA-N 434.514 2.368 0 40 IEAB CNC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)c2cncnc2)c1 257331057 XREZMEPXORWQSB-SFHVURJKSA-N 425.489 2.270 0 40 IEAB CCS(=O)(=O)N(CC(=O)N(C)Cc1ccc(OC)cc1)c1ccc2c(c1)OCCO2 408705612 JXYVYFMXLBOAPA-UHFFFAOYSA-N 434.514 2.281 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCc2nccnc2-c2cccs2)cc1 575619301 CKAIDUNCGNIQBG-UHFFFAOYSA-N 428.495 2.337 0 40 IEAB Cc1cc(O)nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)cc12 1167383867 GDHBGNDZPYLUKJ-BRWVUGGUSA-N 445.541 2.297 0 40 IEAB Cn1nccc1CNC(=O)[C@@H]1CN(CC2CCOCC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595970 WMWIFKYESLRYES-URVUXULASA-N 428.508 2.284 0 40 IEAB CNC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C(=O)c1ccccc1CN1CCCC1 1848352702 WZNBTOVNVZXPGQ-DEOSSOPVSA-N 434.584 2.398 0 40 IEAB Cn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1[C@@H]1COc2ccccc2O1 3477880 JBWAKHSZVNCGDH-KRWDZBQOSA-N 437.481 2.405 0 40 IEAB COc1ccc(C)cc1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 8939210 WOBMMRZPBYJJKP-UHFFFAOYSA-N 434.514 2.214 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c(C)c1 9125048 YLPZERAQWVGVMF-IBGZPJMESA-N 445.516 2.081 0 40 IEAB NC(=O)c1ccsc1NC(=O)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 9284536 NSWNAERGPGXCSG-UHFFFAOYSA-N 448.460 2.342 0 40 IEAB COc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(C)=O)c(=O)n(C)c4nc23)cc1Cl 9297171 CYISBZLWXOCIMD-UHFFFAOYSA-N 429.864 2.006 0 40 IEAB Cc1ccccc1NC(=O)CCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9507388 LNVATZBUJZZEOC-UHFFFAOYSA-N 443.548 2.491 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@H](c2cccs2)n2nnnc2N1 10232384 UQVNSFIZPAVBAK-INIZCTEOSA-N 427.442 2.077 0 40 IEAB CN(C(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 10587652 RBKVVLLNWZCLFT-QGZVFWFLSA-N 435.473 2.207 0 40 IEAB C[C@H](Sc1nncn1CCc1cccs1)C(=O)Nc1cccc(S(N)(=O)=O)c1 11107315 WQHKNQXKOIRPGZ-LBPRGKRZSA-N 437.572 2.349 0 40 IEAB NC(=O)c1cccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 11226459 FGTWYGBPYKUWMP-UHFFFAOYSA-N 433.394 2.097 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3ccc(N4CCCC4)cc3)cc2)C1=O 11858240 LFOKSJAFCIFEMQ-OAHLLOKOSA-N 449.554 2.400 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1)c1cccc(F)c1 11964038 FILMZDLMDQLQHT-UHFFFAOYSA-N 441.488 2.379 0 40 IEAB CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3ncncc3S(C)(=O)=O)C2)cc1 12154676 NWSICCDIUOTKHN-OAHLLOKOSA-N 432.502 2.468 0 40 IEAB C[C@H](NC(=O)[C@@H](C)n1cnc2ccccc2c1=O)C(=O)NCCc1c[nH]c2ccccc12 12296467 WKBONKNLKZTFQC-JKSUJKDBSA-N 431.496 2.302 0 40 IEAB biogenic O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 12324092 MSOWQGUJNZWOFJ-ZDUSSCGKSA-N 449.535 2.138 0 40 IEAB COc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1Cl 12537146 DQRGXUQODYVCDA-FQEVSTJZSA-N 445.903 2.414 0 40 IEAB Cn1c(CCC(=O)NCc2ccncc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12582788 SHKCMZRMJPQPSA-UHFFFAOYSA-N 441.557 2.392 0 40 IEAB Cc1cc(C)cc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)c1 13040071 BWOQEOUQLWOJIV-UHFFFAOYSA-N 441.509 2.418 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 13049054 VPXAKBQEPCZFTK-FQEVSTJZSA-N 446.573 2.083 0 40 IEAB Cc1cccc(N2CCN(C(=O)c3cccc(N4C(=O)CCS4(=O)=O)c3)CC2)c1C 15858513 ITMUXQNWQXTZAQ-UHFFFAOYSA-N 427.526 2.332 0 40 IEAB CC(C)c1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 19463461 PBMKZUGBXKALJQ-NVXWUHKLSA-N 429.546 2.151 0 40 IEAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O 19699625 GPTBTVVWNWSEPU-SFHVURJKSA-N 432.565 2.271 0 40 IEAB COc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)c1 20744320 CBLZKWKVIPITBC-UHFFFAOYSA-N 437.905 2.143 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3ncc(C)s3)CC2=O)cc1 23122342 WBNBSUKEELZURL-AWEZNQCLSA-N 436.559 2.474 0 40 IEAB CCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1-c1cccn(C)c1=O 23136302 XZQMBZUKPYJLFW-UHFFFAOYSA-N 426.502 2.353 0 40 IEAB Cc1cc(NC(=O)[C@H](C)SCC(=O)NCc2ccccc2CN2CCOCC2)no1 24379556 YOBNCXJTWVHJAP-INIZCTEOSA-N 432.546 2.192 0 40 IEAB CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)CC1 26109748 MJHYBNHZGCQZPY-AWEZNQCLSA-N 434.389 2.309 0 40 IEAB COc1ccc([C@@H](NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c2nccn2C)cc1 32843618 DCYJLPFKMWTBHD-LJQANCHMSA-N 439.516 2.231 0 40 IEAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCN(c3ncccn3)CC2)c2ccc(Cl)cc21 36359197 CETYXCFEHYSFQF-GOSISDBHSA-N 429.864 2.117 0 40 IEAB COc1cc2nc(CN3CCOCC3)nc(OCC(=O)NCC(C)(C)C)c2cc1OC 41105098 XNIFEVQSHFTNCK-UHFFFAOYSA-N 432.521 2.020 0 40 IEAB CCN(Cc1nc(=O)c2ccccc2[nH]1)C[C@@H](O)COc1ccc(C(C)=O)cc1OC 58140033 HJMSCMWFFNWLIA-QGZVFWFLSA-N 425.485 2.396 0 40 IEAB CC(=O)Cn1c(Br)nc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2C 69534008 MHJKZPGGPYYLBY-UHFFFAOYSA-N 443.660 2.089 0 40 IEAB CCOC(=O)C1=C(CSc2nc3ccccc3c(=O)n2CCCOC)NC(=O)N[C@@H]1C 79378961 CDLDZTWXMLRTOS-CYBMUJFWSA-N 446.529 2.044 0 40 IEAB Cc1ccc(N2CCC[C@H](C(=O)NCCn3nc(-c4ccc(F)cc4)ccc3=O)C2)nn1 90592248 NQKPGNQXJYERKF-SFHVURJKSA-N 436.491 2.181 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)CC2)cc1 95480352 HORQXMOKTWANJQ-XMSQKQJNSA-N 436.574 2.250 0 40 IEAB COC(=O)c1nn([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2ccccc12 95963958 VCUWYALMXMKOFV-CYBMUJFWSA-N 425.441 2.078 0 40 IEAB Cc1ccccc1C(=O)/C=c1\s/c(=C\c2cccs2)c(=O)n1CC(=O)NC(C)C 96920383 DNGTYEQNGPALOF-AEBOSEQSSA-N 426.563 2.297 0 40 IEAB CC(C)(C)NC(=O)[C@H]1N(C2CCCC2)C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@]12O3 100430791 HYAMMVAHJFRONE-MTVYNVTBSA-N 443.588 2.443 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cccc(C)c2)cc1 137543220 UCZOLOXDIQIXEV-UHFFFAOYSA-N 429.542 2.223 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 222456896 UMTYVNWKSYHYRL-UHFFFAOYSA-N 433.530 2.409 0 40 IEAB COc1cccc(OC)c1CNC(=O)COc1ccc(S(=O)(=O)NCC(C)C)cc1 222655077 LNQCTFKPFSMFAT-UHFFFAOYSA-N 436.530 2.333 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)cc1OC 223242373 HJGPBLAEBCUBIU-UHFFFAOYSA-N 436.530 2.000 0 40 IEAB COc1ccc(S(=O)(=O)N(C)c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2C)cc1 224325154 XHAXZPFAGLJAHF-UHFFFAOYSA-N 445.541 2.166 0 40 IEAB COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c(OC)c1OC 224659013 UIQJRMWNDMPTMG-UHFFFAOYSA-N 446.525 2.490 0 40 IEAB C[C@]12CCC3(CC1=CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C1(CO)OCCO1)OCCO3 504454981 WHPHCSOODSGESM-MBCMSYPMSA-N 448.556 2.338 0 40 IEAB in-vitro CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2N)cc1 3382169 DBMJQNKVYBGQPG-UHFFFAOYSA-N 431.543 2.245 0 40 IEAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1nnc(-c2ccc(SC)cc2)n1 3624968 YDNQXIPKFRXTGC-SFHVURJKSA-N 425.514 2.353 0 40 IEAB CO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O 4721310 WYAMNJUPQNEGOI-VCDBXAJLSA-N 436.504 2.449 0 40 IEAB biogenic,in-vitro CCc1ccc(N(CC(=O)NCc2ccccc2)C(=O)c2snc(C(N)=O)c2N)cc1 6821927 KRBDYRUTYZPQHZ-UHFFFAOYSA-N 437.525 2.350 0 40 IEAB COc1ccccc1OCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2 8910286 VITCDXWICCNHQX-UHFFFAOYSA-N 431.445 2.466 0 40 IEAB CCN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(OC)cc2)C(=O)C1=O 9599714 XPFKSIDZRXAVBS-GOSISDBHSA-N 440.525 2.125 0 40 IEAB CCOC(=O)c1[nH]c(CSc2n[nH]c(=O)n2C[C@@H]2CCCO2)c(C(=O)OCC)c1C 9669770 XYIYRPSXAQXRPE-LBPRGKRZSA-N 438.506 2.033 0 40 IEAB COc1ccc(-c2cc(C(=O)O)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1OC 9779465 OZZBOWXJYDKECY-CYBMUJFWSA-N 431.470 2.482 0 40 IEAB O=C(NCC(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1)c1ccccc1Cl 11154943 GZYLYFHAAQZTFC-UHFFFAOYSA-N 435.933 2.039 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1)c1ccc(F)cc1 11964041 MFRPSLFNCLAYPG-UHFFFAOYSA-N 441.488 2.379 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CSc3nc4ccccc4[nH]3)C2=O)cc1 12525383 LOHONKXNESRKEQ-HXUWFJFHSA-N 425.470 2.162 0 40 IEAB CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 12693940 WXLADHLKYXLISV-UHFFFAOYSA-N 427.876 2.191 0 40 IEAB O=C(CN1CC=C(c2ccccc2)CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 12732416 PKMUVNJSXNARDV-XMMPIXPASA-N 447.535 2.287 0 40 IEAB O=c1c(Cl)c(N2CCN(c3nnnn3-c3ccccc3)CC2)cnn1-c1ccccc1 13117446 SJUQEOIDRLGZCH-UHFFFAOYSA-N 434.891 2.188 0 40 IEAB Cc1ccc(Cl)cc1N1CCN(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)CC1 16551407 UKZNMHRKXKWYAS-IBGZPJMESA-N 442.025 2.442 0 40 IEAB CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)OCO2 16689295 GAIUOWGHCALPJR-VIZOYTHASA-N 427.388 2.485 0 40 IEAB CCc1ccc(CN(C(=O)C2=C[C@@H]3C=CC=C[C@@H]3OC2=O)[C@H]2CCS(=O)(=O)C2)cc1 16734918 IGOMAWOSTUZDRY-ZJOUEHCJSA-N 427.522 2.359 0 40 IEAB CC(=O)N1CCc2nc([C@@H]3CCCCN3S(=O)(=O)Cc3cccc(C)c3)[nH]c(=O)c2C1 19235089 DAHXCTFYUZQKGR-FQEVSTJZSA-N 444.557 2.040 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1C 23457480 UCTJRUCPTXYUGD-UHFFFAOYSA-N 425.551 2.051 0 40 IEAB C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 27570337 JSVPZGIPEVUKRB-JKSUJKDBSA-N 430.530 2.012 0 40 IEAB COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 32788958 XXCYMVMOMDTMOG-UHFFFAOYSA-N 446.909 2.474 0 40 IEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)C2=O 40040058 GGMCFKJPGQDTEQ-CMJOXMDJSA-N 427.501 2.314 0 40 IEAB Cc1nc(-c2ccc(CC(=O)NCCS(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cs1 48300748 GYBUDZJDZRXEEJ-HUUCEWRRSA-N 437.587 2.216 0 40 IEAB Cc1cccc(N2CCN(C(=O)c3cn(-c4cc(N5CCSCC5)ncn4)cn3)CC2)c1 49411320 WIDRYERRMIAXOH-UHFFFAOYSA-N 449.584 2.486 0 40 IEAB O=C([C@@H]1CSCN1S(=O)(=O)c1cccc(Br)c1)N1CCSCC1 62582539 AIKPSGDBFNBIGU-ZDUSSCGKSA-N 437.406 2.088 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 68851821 YEXNRPYSBKHHPB-OAHLLOKOSA-N 437.949 2.364 0 40 IEAB CCOC(=O)C1CCN(C(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)CC1 220044551 AUFGCKHOLJBGIJ-UHFFFAOYSA-N 436.452 2.273 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O 222503489 NXHOFKNVXHJDHY-OAHLLOKOSA-N 437.949 2.269 0 40 IEAB COC(=O)[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2O1 222849227 ODUFWHZJROKUMK-HXUWFJFHSA-N 446.525 2.273 0 40 IEAB CC(C)Sc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)s1 224799324 HXBFPNSKOCFJJA-UHFFFAOYSA-N 441.604 2.227 0 40 IEAB O=C(c1ccc(N2CCOCC2)cc1)N1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1 225759665 RPKQVROILBMBTQ-UHFFFAOYSA-N 434.496 2.004 0 40 IEAB O=C1CCc2cc(S(=O)(=O)NC[C@@](O)(c3ccsc3)c3ccco3)cc3c2N1CC3 244975088 IATSKGFFBIVVKJ-OAQYLSRUSA-N 444.534 2.391 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)nc2c1CCN(C(C)=O)C2 257275638 NQFDIHPGRDTNIL-LJQANCHMSA-N 449.555 2.307 0 40 IEAB O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 260903435 OWJTVSYCORPFJK-NVXWUHKLSA-N 436.917 2.449 0 40 IEAB O=C(N1CCCC1)N1CC[C@@]2(C1)CN(Cc1ccccn1)S(=O)(=O)c1ccccc1O2 306134304 NIMPMLMQUDLISB-JOCHJYFZSA-N 442.541 2.325 0 40 IEAB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cc1 408661912 WKKRCFVRXFHVAV-MRXNPFEDSA-N 440.452 2.407 0 40 IEAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCC(=O)O 409127464 HNSSDIJLXNWGNZ-QDEBKDIKSA-N 446.231 2.042 0 40 IEAB O=S1(=O)C[C@H](O)[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc3ccccc3c2)C1 575423363 PNYSRMKEQLWYBN-SFTDATJTSA-N 431.535 2.189 0 40 IEAB COc1ccc([C@H](OC)[C@H](C)NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 1637373273 OLRGPCQKRFLRHJ-DYOKRDNJSA-N 444.503 2.231 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)Nc2cc(-c3nn[nH]n3)ccc2F)c1C 1637745459 AVBJQMKAQZOPPE-UHFFFAOYSA-N 432.481 2.156 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 1889237072 KUBIGBHPIBRHMJ-ICSRJNTNSA-N 426.542 2.217 0 40 IEAB O=C(OCn1nnc2ccccc2c1=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 2662317 ODXSJCRCDSBAMD-UHFFFAOYSA-N 426.388 2.407 0 40 IEAB COCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 2938191 KQLOQSLQDIYKGJ-QGZVFWFLSA-N 441.347 2.101 0 40 IEAB CCOC(=O)C1=C(C)Nc2sc3c(=O)[nH]c(=O)[nH]c3c2[C@H]1c1ccc(C(=O)OC)cc1 8782905 YFDLDBZVLSNFAV-ZDUSSCGKSA-N 441.465 2.459 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@H]1c1ccc(OC)cc1 8964877 LGLFXGWEPQOXGU-LJQANCHMSA-N 433.464 2.476 0 40 IEAB biogenic C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C(=O)NC1CC1 9050657 PQOGAZQPJPNOCD-HNNXBMFYSA-N 428.510 2.258 0 40 IEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](NC(=O)c1ccccc1)C(C)C 9223387 AFIKKFPKTCSPOR-OAQYLSRUSA-N 436.512 2.353 0 40 IEAB COc1ccc(CCN2C(=O)N[C@](NC(=O)c3ccco3)(C(F)(F)F)C2=O)cc1OC 9419448 JCPPJDLMDWMPSC-SFHVURJKSA-N 441.362 2.080 0 40 IEAB Cc1cc(C)n2nc(SCC(=O)Nc3cccc(S(=O)(=O)N4CCCC4)c3)nc2n1 9510214 NXMOQVIBWPKFRQ-UHFFFAOYSA-N 446.558 2.256 0 40 IEAB O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(c2ccccc2F)CC1 9568779 UODBWHXWFXHXIT-MRXNPFEDSA-N 440.475 2.234 0 40 IEAB COc1cc(CC(=O)N2CC[C@@H](c3cc(O)n4nc(C)cc4n3)C2)cc(OC)c1OC 12162037 HHLXUOFJUWTQRI-OAHLLOKOSA-N 426.473 2.328 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2cnn(-c3ccccc3)c2)NC(=O)N[C@@H]1c1ccco1 12867560 SQEOZTZRZMAGFH-LJQANCHMSA-N 436.424 2.493 0 40 IEAB O=S1(=O)C[C@H](NCCc2ccc(Cl)cc2)[C@@H](S(=O)(=O)c2ccc(F)cc2)C1 13371535 YDRISKXBXWJBKO-ROUUACIJSA-N 431.938 2.251 0 40 IEAB O=c1nc[nH]c2c1nnn2CCCCCCCCCCCCn1nnc2c(O)ncnc21 16958258 VDKAOKMNJKYDBM-UHFFFAOYSA-N 440.512 2.356 0 40 IEAB CCS(=O)(=O)N1CCC[C@H]1c1nc(O)c2c(n1)CCN(Cc1ccc(OC)cc1)C2 19520326 XMHLNJDISGDNPT-IBGZPJMESA-N 432.546 2.236 0 40 IEAB CN1CCN(c2nccc(CN3CCC[C@H]3c3nc(Cc4ccc(F)cc4)n[nH]3)n2)CC1 19590154 KGMHPGICAKYTDJ-FQEVSTJZSA-N 436.539 2.414 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CN(C(=O)Cc1cccc(OC)c1)CC2 19710499 JOHQONSCLLHFLU-UHFFFAOYSA-N 437.544 2.380 0 40 IEAB CCOc1ccc(N(CC(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1 19932973 HPNVTDUTKITJEF-UHFFFAOYSA-N 428.514 2.353 0 40 IEAB Cc1cccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 21785009 KOHFHEBYLATQJT-UHFFFAOYSA-N 438.933 2.478 0 40 IEAB CCN1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)CC1 22992151 JJLWCCNFKSSYCD-QGZVFWFLSA-N 444.395 2.203 0 40 IEAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCc1nc(-c2ccc(C)cc2)no1 23844606 DRKIDOSQMOALQD-UHFFFAOYSA-N 441.440 2.202 0 40 IEAB O=C(NCc1ccccc1)NC1(C(=O)NCc2cccnc2N2CCOCC2)CCCC1 30310413 PHXCPXVKETYFIF-UHFFFAOYSA-N 437.544 2.347 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCOc3ccccc3OC)C2)cc1 31245760 ZIGDCEXPGGFUDB-KRWDZBQOSA-N 448.541 2.300 0 40 IEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC(C)C 32674457 PUBCQWBRDJDTNS-GOSISDBHSA-N 433.530 2.068 0 40 IEAB Cc1noc(-c2cccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3F)c2)n1 40152555 ZQQFGBMZXAVTKA-UHFFFAOYSA-N 446.460 2.457 0 40 IEAB C[C@H](O)[C@@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2cccs2)C1 95469030 AACGSGOAEGBBQB-WDYCEAGBSA-N 434.583 2.483 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OCC(=O)OC(C)C)c3)C2=O)o1 108119374 IROTXYYBGULQLF-YVLHZVERSA-N 442.424 2.490 0 40 IEAB CN1c2ccccc2C(c2ccccc2)=C(C(=O)NCCCN2CCOCC2)S1(=O)=O 219181068 IMGDPKUDPJWZOC-UHFFFAOYSA-N 441.553 2.064 0 40 IEAB COc1ccc(-c2nnc(NC(=O)CCN3C(=O)c4ccccc4S3(=O)=O)s2)cc1 224755874 HDIHOWMFNMCCRY-UHFFFAOYSA-N 444.494 2.387 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@]21O3 245229887 IBMQHRGDYFQPOV-DOXHZCKDSA-N 429.561 2.053 0 40 IEAB CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CCc1ccccc1[C@H]2NC(=O)CN 247977347 GFBYBDVHHHAIFG-FBILRYNDSA-N 434.584 2.392 0 40 IEAB Cc1nc(CN2CCC3(CC2)CCn2c3nc(=O)c3c2CCN(C(=O)C2CC2)C3)cs1 306138229 RSTJMPCUTGCTHH-UHFFFAOYSA-N 439.585 2.240 0 40 IEAB COc1ncccc1CN1C[C@@H](c2cccnc2)[C@]2(C1)OCCN(Cc1ccncc1)C2=O 306139313 SUKKVFXLXVYMIQ-DHLKQENFSA-N 445.523 2.277 0 40 IEAB Cn1cc(-c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cn2)cn1 575617204 UKUZKJFUXUGENL-UHFFFAOYSA-N 425.514 2.197 0 40 IEAB Cc1cc(C)n(CCOc2ccc(CN(C)C[C@@]3(O)CCN(c4ncccn4)C3)cc2)n1 585271114 RELKELUOVSFARC-DEOSSOPVSA-N 436.560 2.442 0 40 IEAB CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)Nc1c(O)n[nH]c1-c1ccccc1 647825858 LRGPLIDUGYSPSE-UHFFFAOYSA-N 425.470 2.315 0 40 IEAB C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)CC1(C)C 1693699166 HSISZWQVNIDYHW-INIZCTEOSA-N 437.610 2.211 0 40 IEAB COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 8676860 GWCLMJUMOAKDTJ-LJQANCHMSA-N 433.530 2.346 0 40 IEAB CC(=O)Nc1ccc2c(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)cc(=O)oc2c1 9284578 KAAZJIOGHADCPZ-HSZRJFAPSA-N 449.419 2.447 0 40 IEAB CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(C)c1ccc(C)cc12 9449922 CXGMZCMEADJRMJ-DEOSSOPVSA-N 432.432 2.490 0 40 IEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 9712095 FILFJDXNDDQQHE-UHFFFAOYSA-N 432.893 2.353 0 40 IEAB Cc1cc(C)nc(SCCCn2c(N3CCC[C@H](C)C3)nc3c2c(=O)[nH]c(=O)n3C)n1 10248790 LBQLKPDWOUEGQW-ZDUSSCGKSA-N 443.577 2.249 0 40 IEAB COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(CCc2ccccc2)C3=O)cc1OC 11694119 VEMRZOHUUMWQSK-UHFFFAOYSA-N 437.496 2.473 0 40 IEAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCCC1)c1cccc(N2C(=O)CCS2(=O)=O)c1 11998206 XXTYKHVTSRKERA-FQEVSTJZSA-N 445.516 2.459 0 40 IEAB CCc1nc2ccccc2n1CC(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 12142340 HCFBXYBZJCUOSS-UHFFFAOYSA-N 439.541 2.321 0 40 IEAB CNC(=O)C1CCN(C(=O)[C@H](C)SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12817095 BJNQHVDQDAITKD-LBPRGKRZSA-N 448.614 2.470 0 40 IEAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(NC(C)=O)ccc3OC)n2N)cc1 16755774 SEXBSQQONJWNSX-UHFFFAOYSA-N 442.501 2.365 0 40 IEAB CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)c(C)n1 19524654 QCCOMOZITXCXCM-SFHVURJKSA-N 448.593 2.389 0 40 IEAB Cc1c(S(=O)(=O)N2CCO[C@@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)cnn1C 19697837 SXOREGGQXVKYCS-OAHLLOKOSA-N 448.570 2.407 0 40 IEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)ccc21 20889044 OKXXGRHXUYSYGN-VMPITWQZSA-N 425.554 2.480 0 40 IEAB C[C@@H](NC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 22373557 VYBBXYBRATZITA-GFCCVEGCSA-N 446.497 2.012 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCN(Cc3ccsc3)CC2)C1=O 22792081 DWIVDNFYQRWVRZ-JOCHJYFZSA-N 442.541 2.062 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 27408366 CACMBCLWJXHAGF-UHFFFAOYSA-N 431.514 2.100 0 40 IEAB COc1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)N2CCOCC2)cc1N1CCCCC1=O 48302351 JYKPKCZEYJCOHV-YLJYHZDGSA-N 446.548 2.071 0 40 IEAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 48302389 MCZBZHUZAGLEHR-LJQANCHMSA-N 441.503 2.415 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)c2ccccc2)ccc1C 48355614 PGOKKRMTASHVIJ-UHFFFAOYSA-N 438.571 2.229 0 40 IEAB CCOc1cc2c(cc1CN1C[C@@H]3[C@@H](CC[C@@]3(O)c3cnc(OC)nc3OC)C1)OCO2 72392618 KJSPXBPGNDHINF-DJKDLEHESA-N 443.500 2.351 0 40 IEAB Cc1nc([C@@H](NS(=O)(=O)CCNC(=O)OCc2ccccc2)c2ccccc2)n[nH]1 89497079 QSXSQZVRUSDYOM-SFHVURJKSA-N 429.502 2.048 0 40 IEAB O=S(=O)(NC1CCN(c2nc(C(F)(F)F)nc3[nH]cnc23)CC1)c1ccccc1 95948764 QMMREJGQZIFNCU-UHFFFAOYSA-N 426.424 2.319 0 40 IEAB CC1([C@H]2CCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)OCCO1 96010288 GYKBUFTXJYHMOW-SJORKVTESA-N 440.537 2.228 0 40 IEAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CCC[C@H]1C 102243029 GHIZWWXABHWRDW-VKJFTORMSA-N 438.546 2.274 0 40 IEAB CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H](c3ccccc3)N3CCOCC3)cc2C[C@H]1C 105826932 KKWRJUOQXCPTEY-HXOBKFHXSA-N 443.569 2.336 0 40 IEAB COc1cc(CNC(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)cc(OC)c1OC 223731985 CCTMTZPRVRXBIH-UHFFFAOYSA-N 436.530 2.099 0 40 IEAB COc1ccc(-c2nnsc2C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 225887312 JEAVFYGXTKVLIU-UHFFFAOYSA-N 432.527 2.230 0 40 IEAB O=C(C[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1Oc1ccc(Cl)cc1)N1CCOCC1 257272777 NDVMTDWGAHUEHS-KXBFYZLASA-N 432.908 2.222 0 40 IEAB CNC(=O)c1cccc([C@@H]2CN(Cc3ccnc(N4CCCCC4)n3)CCN2C(C)=O)c1 257283304 OXSFYXLAMUGUNN-QFIPXVFZSA-N 436.560 2.232 0 40 IEAB Cc1cc(C(F)(F)F)nc([C@@H]2CCN(C(=O)COc3cccc(-n4cnnn4)c3)C2)n1 257287379 PPRKKIAKSVFPBL-CYBMUJFWSA-N 433.394 2.174 0 40 IEAB Cc1noc(C)c1[C@@H](C)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 608025570 TUCLKFLVVRIAKY-SECBINFHSA-N 443.323 2.284 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)N2CCOCC2)C12CN(Cc1ccccn1)C2 1549166753 HVKVHZBLOWUIDC-QFIPXVFZSA-N 434.540 2.143 0 40 IEAB COc1ccccc1-c1ccc(=O)n(C2CN(C(=O)c3cnn(-c4ccccc4)n3)C2)n1 1889010329 IIRUIETWRHDJOM-UHFFFAOYSA-N 428.452 2.197 0 40 IEAB Cc1c(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cccc1-c1nc2ccccc2o1 679448 VHORPYZLXGKIGN-UHFFFAOYSA-N 444.451 2.189 0 40 IEAB CCn1cc(Cl)c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 2802991 LSDWEZBKDGJBQP-CYBMUJFWSA-N 428.917 2.413 0 40 IEAB COc1ccc(S(=O)(=O)n2nc(C)c(S(=O)(=O)N3CCCCCC3)c2C)cc1 8611272 XXHGLQGLUKMSKU-UHFFFAOYSA-N 427.548 2.310 0 40 IEAB CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCCC1 9046003 UXPWCCPPBDTTOQ-ZHRRBRCNSA-N 443.544 2.400 0 40 IEAB COc1cccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCCCO4)C2=O)c1 9387878 XARLFTHEBQBUAF-JOCHJYFZSA-N 425.441 2.262 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2)C1 9445441 OWBMXIOZYUBLHI-CYBMUJFWSA-N 427.482 2.243 0 40 IEAB CCOc1ccccc1NC(=O)CN1CCC2(CC1)N=C(c1ccc(OC)cc1)C(=O)N2 9526791 SSYVQJOLBUKTKW-UHFFFAOYSA-N 436.512 2.444 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1NC(C)=O 9590916 NIRMOVYGDVORIS-UHFFFAOYSA-N 434.442 2.451 0 40 IEAB COc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCCCC1 9612741 KKAJOHXDAYMKKP-UHFFFAOYSA-N 443.576 2.034 0 40 IEAB CCOc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4cccc(OCC)c4O)nc32)cc1 9739045 FTSRDQNTIOSQBG-UHFFFAOYSA-N 435.440 2.378 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccc(OC)cc3)ccc2=O)cc1 9844516 NYKMTRGTOUGPAY-UHFFFAOYSA-N 429.498 2.296 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H](c2cccc(F)c2)n2nnnc2N1 10232353 AJAPJAAWRGECSG-GOSISDBHSA-N 439.403 2.154 0 40 IEAB CCCCOc1ccc(S(=O)(=O)NCCn2nc(-c3ccncc3)ccc2=O)cc1 11744787 BDUJXHAJMYHGGQ-UHFFFAOYSA-N 428.514 2.463 0 40 IEAB CS(=O)(=O)c1cnc(N2CCCCC2)nc1C1CCN(C(=O)c2cscn2)CC1 12133416 NAGLSPLTKAFIDT-UHFFFAOYSA-N 435.575 2.347 0 40 IEAB Cc1noc(C)c1-n1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)ccc1=O 12372270 UDYHLWIJQNCEJJ-UHFFFAOYSA-N 443.510 2.439 0 40 IEAB O=C(O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 12794427 WOTRSZBJIKNLCJ-UHFFFAOYSA-N 434.558 2.289 0 40 IEAB CC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 14665603 IHFONNXZVGENRR-UHFFFAOYSA-N 430.526 2.418 0 40 IEAB COc1ccc(-c2nn(-c3ccccc3)cc2Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 16056499 DIKPTJUZAMAPLP-UHFFFAOYSA-N 442.479 2.343 0 40 IEAB COCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCCC1)CC2 19593153 WYPHDVJINZYHSR-IBGZPJMESA-N 430.549 2.325 0 40 IEAB COCCCn1c(C)cc(C(=O)COC(=O)Cc2nn(C)c(=O)c3ccccc23)c1C 22498901 PHJMNXZDTUYYTR-UHFFFAOYSA-N 425.485 2.357 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1F)c1cccc(Cl)c1 23510995 RFJAUYMVFVKHFL-UHFFFAOYSA-N 441.912 2.342 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N(C)Cc3cc(C)on3)c2c1 25138583 WTRVQCNOISDXQP-UHFFFAOYSA-N 432.502 2.127 0 40 IEAB Cc1cc(=O)c(C(=O)NCc2ccnc(N3CCOCC3)c2)nn1-c1ccc(Cl)cc1 25290665 DJKZSSSUUFGTNZ-UHFFFAOYSA-N 439.903 2.356 0 40 IEAB Cc1csc(CC(=O)N2CCN(Cc3nc(N)nc(Nc4ccccc4C)n3)CC2)n1 32764780 DOYBVRGHZRJJFO-UHFFFAOYSA-N 438.561 2.158 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@]12CCC(=O)N1c1ccccc1S2 32845085 KALYQGMLDOYTDB-NRFANRHFSA-N 443.550 2.455 0 40 IEAB Cc1ccc(-c2noc(CN3CCN(C(=O)CN4CCCCCCC4=O)CC3)n2)cc1 32937176 LPPNWFQZNBWMSP-UHFFFAOYSA-N 425.533 2.482 0 40 IEAB Cc1ccc(S(=O)(=O)c2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2N)cc1 33301878 PAQDJEBPQPVAGW-UHFFFAOYSA-N 433.534 2.257 0 40 IEAB CC(C)Cn1c(=O)[nH]c2c(C(=O)N3CCN(c4ccccc4Cl)CC3)snc2c1=O 49409890 YQEJKCNVYAPINP-UHFFFAOYSA-N 447.948 2.418 0 40 IEAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)Nc1cccc(N2CCCC2=O)c1 58293386 SWAKGAQEUCBPJY-HNNXBMFYSA-N 430.530 2.092 0 40 IEAB Cc1sc2[nH]c(CCC(=O)NCc3ccccc3S(=O)(=O)N(C)C)nc(=O)c2c1C 65565116 LVTAOZMXWGWSRR-UHFFFAOYSA-N 448.570 2.101 0 40 IEAB CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 72304589 CYLSJQYXZDOBEO-UHFFFAOYSA-N 446.573 2.340 0 40 IEAB O=C(Nc1cc(N2CCOCC2)ncn1)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 77200520 LSQUKHUMGYHBQD-ZDUSSCGKSA-N 446.305 2.067 0 40 IEAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCCN1C(=O)Cc1cccs1 84536123 DSOXJCIWJOUHCM-CTNGQTDRSA-N 427.570 2.299 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)Oc2ccccc21 222698716 UPZTUPFGEQHMAG-XOBRGWDASA-N 432.498 2.252 0 40 IEAB CCn1cc(CN2C[C@@H](c3cccnc3)[C@]3(C2)OCCN(Cc2ccncc2)C3=O)cn1 306140383 URQGBORHBNWFET-UPVQGACJSA-N 432.528 2.090 0 40 IEAB COc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)cc1OC 390830783 NKKQOFMCLBRWIQ-LJQANCHMSA-N 425.528 2.254 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 408616300 FZBXZXPWEYUCDE-UHFFFAOYSA-N 433.530 2.166 0 40 IEAB C[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)c1ccccc1 408655796 MFVFIRJASVMLDV-RHSMWYFYSA-N 443.887 2.254 0 40 IEAB O=C(O[C@H]1C(=O)N(Cc2ccccn2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 409280404 KCACKUYJAWPKSQ-WOJBJXKFSA-N 430.416 2.402 0 40 IEAB O=C(Cc1csc2ccccc12)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@H]2C1 1549161814 LPYPNFUOQLYRBQ-GOSISDBHSA-N 425.510 2.098 0 40 IEAB CC(C)NC(=O)N1C[C@H]2CC[C@@H](CNC(=O)c3cccn(C)c3=O)N2Cc2ccccc21 1565556796 WEUMIPASXYGJFA-RBUKOAKNSA-N 437.544 2.086 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1C 3343492 GJMHZJSXBAUCEB-ZDUSSCGKSA-N 425.441 2.402 0 40 IEAB Cc1cc(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)n1CCc1cccs1 9126159 JJKVVMWJKIOFBK-UHFFFAOYSA-N 425.514 2.039 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 9225921 ALBLYKYEIVOYNR-INIZCTEOSA-N 431.514 2.142 0 40 IEAB CCCN(C)c1nc(NC(C)C)nc(N(n2cnnc2)S(=O)(=O)c2ccc(C)cc2)n1 9462698 DJGCAWXITSFQQD-UHFFFAOYSA-N 445.553 2.097 0 40 IEAB CCc1cc(=O)oc2c(C)c(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ccc12 9510380 BBKWMYHXIVPGLO-UHFFFAOYSA-N 444.509 2.049 0 40 IEAB CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1cc(Cl)ccc1C 9666308 LJEBNTOMUHIKOR-UHFFFAOYSA-N 438.937 2.195 0 40 IEAB CCN(c1ccc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc1)S(C)(=O)=O 10010038 WUELYNACYZWOJJ-UHFFFAOYSA-N 435.521 2.339 0 40 IEAB Cc1cc(C)n(-c2ccc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCO4)nn2)n1 11141970 HZCXUAJFYQFUAR-UHFFFAOYSA-N 426.458 2.448 0 40 IEAB COC(=O)c1c(NC(=O)COC(=O)c2cccc(S(C)(=O)=O)c2)sc2c1CCC2 11316801 UALVHQDSSMVEGM-UHFFFAOYSA-N 437.495 2.222 0 40 IEAB CCc1cc(CC)n(-c2nc3c(c(=O)n(Cc4ccc(OC)cc4)c(=O)n3C)n2CC)n1 11613347 VDVQMKIUXALGTB-UHFFFAOYSA-N 436.516 2.284 0 40 IEAB COc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)nn2[C@H]2CCS(=O)(=O)C2)cc1 11996948 OQXOXXRBHVEGOB-ZDUSSCGKSA-N 433.515 2.331 0 40 IEAB Cc1ccc([C@@]2(O)CC[C@@H]3CN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C[C@@H]32)cc1 12186503 FRNCRVAYVXLHAX-QRFQSNJMSA-N 428.510 2.358 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@@H](c3ccc4c(c3)OCO4)N(C)C)ccc21 12196871 SVXVQOOKQKKIMT-FQEVSTJZSA-N 445.541 2.296 0 40 IEAB Cc1occc1-c1nc(N2CCN(S(=O)(=O)N(C)C)CC2)ncc1-c1ccncc1 12222838 ZGNTXEKMGXPUMW-UHFFFAOYSA-N 428.518 2.035 0 40 IEAB O=C(c1cccc(Br)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1 12293127 XDASNTQOYHJYPY-UHFFFAOYSA-N 432.322 2.038 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1 14236622 SLWKSVLJWNZQMO-INIZCTEOSA-N 435.502 2.426 0 40 IEAB Cc1ccc(N2C(=O)C[C@@H](N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)cc1Cl 18250508 URFQSARHSUWHCR-GOSISDBHSA-N 432.952 2.086 0 40 IEAB C[C@@H](C(=O)N1CCC(c2n[nH]cc2C(=O)N2CCc3ccccc3C2)CC1)N1CCCC1=O 19077916 HSYYPSCXDJVKGJ-KRWDZBQOSA-N 449.555 2.325 0 40 IEAB CCSc1nnc(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)s1 19164074 BCPIACTZBWCNFQ-UHFFFAOYSA-N 437.572 2.450 0 40 IEAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2nn(C)cc2-c2cccnc2)CC1)c1ccccc1 19459331 LPNCYCLVEMMMHD-QGZVFWFLSA-N 439.541 2.119 0 40 IEAB COc1cc(C(=O)N2CC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)cc(OC)c1OC 19549483 HCDJPQOIMMVZGX-AWEZNQCLSA-N 436.468 2.487 0 40 IEAB CN(CC(=O)Nc1cccc([C@@H]2CCc3nncn3C2)c1)S(=O)(=O)c1ccc(F)cc1 19699088 ZFBAOPUQUBHJSI-MRXNPFEDSA-N 443.504 2.406 0 40 IEAB COc1cccc(S(=O)(=O)N2CCO[C@@H](c3c(C(N)=O)sc4ncccc34)C2)c1 19702765 LOHSPGLGTNUGAC-OAHLLOKOSA-N 433.511 2.166 0 40 IEAB COc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1 23654052 AKPWVTIXCIGAKY-FPTDNZKUSA-N 431.489 2.314 0 40 IEAB NC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)CC1 25747553 ARRKLZLOSBNCGW-UHFFFAOYSA-N 442.585 2.427 0 40 IEAB COc1nn(C)cc1C(=O)N1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 49030545 HVIRGNDVKODSRN-MRXNPFEDSA-N 445.951 2.283 0 40 IEAB COC(=O)c1cc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc(C(=O)OC)c1 54253741 FRWIWGRDVFALCW-LJQANCHMSA-N 440.452 2.016 0 40 IEAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)NCc1cccc(N2CCCC2=O)c1 58215763 ORCFHJQFPHHOGH-UHFFFAOYSA-N 449.555 2.129 0 40 IEAB COc1ccc(-c2cc3nn(CC(=O)Nc4ccc5c(c4)OCCO5)c(=O)n3c(C)n2)cc1 67226605 HVERSUQMQLPDIR-UHFFFAOYSA-N 447.451 2.285 0 40 IEAB O=C(c1cc(=O)n(CC(=O)N2CCCc3ccccc32)c2ccccc12)N1CCOCC1 67318830 XYDISFYOIOJQQY-UHFFFAOYSA-N 431.492 2.453 0 40 IEAB COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)nc2ccc(C)cn2c1=O 96114605 AMVYZXKXKLLWBO-CQSZACIVSA-N 428.441 2.429 0 40 IEAB biogenic CCc1nnc(NC(=O)CSC(=S)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)s1 113481198 DQVQHAFGZSLWAE-VXGBXAGGSA-N 435.600 2.338 0 40 IEAB COc1ccc(S(=O)(=O)NCCOc2cc(C)ccc2C)cc1N1C(=O)CCC1=O 224048342 AWWKXEHNXRJNEG-UHFFFAOYSA-N 432.498 2.323 0 40 IEAB CCOc1ccc(CN2CCc3c(nc([C@H]4CCN(C(C)=O)C4)nc3NC)C2)cc1CO 257248087 JCARJMSVVSECQE-SFHVURJKSA-N 439.560 2.303 0 40 IEAB COc1ccc(Cn2nc3n(c(=O)c2=O)CCC32CCN(Cc3ccsc3)CC2)cc1 306135220 OLDPLDTVEFGRJE-UHFFFAOYSA-N 438.553 2.461 0 40 IEAB O=C(c1ccccc1C(F)(F)F)N1CCC(Cn2nc(-n3cncn3)ccc2=O)CC1 585500908 SDIYEJIZQQECPQ-UHFFFAOYSA-N 432.406 2.395 0 40 IEAB COc1cc2c(=O)c(-c3ccc(OC(C)=O)cc3)coc2cc1OC(=O)COCCO 2060993429 LVFGOQHJVCBRJO-UHFFFAOYSA-N 428.393 2.308 0 40 IEAB O=S(=O)(N1CCOCC1)N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1 2087070609 MRVMJRRVRGVDLF-UHFFFAOYSA-N 439.541 2.448 0 40 IEAB COCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C(=O)OC)cc2)C1=O 2116966 XZZMYTZNLVZKHB-NZQKXSOJSA-N 447.491 2.286 0 40 IEAB biogenic CCOc1ccccc1NC(=O)CN1C(=O)N[C@@](CCC(=O)O)(c2ccccc2)C1=O 8844962 IJRHXMYKQCDMFY-QFIPXVFZSA-N 425.441 2.336 0 40 IEAB Cc1cccc(Cn2c(=O)c3c(nc4n3C[C@H](O)CN4c3ccc(C)c(C)c3)n(C)c2=O)c1 9129146 UJCCEOILCDXJOR-HXUWFJFHSA-N 445.523 2.383 0 40 IEAB CCN1C(=O)C(=C(C)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)N(CC)C1=S 9165089 AGSMWZFJHJZGKQ-UHFFFAOYSA-N 427.530 2.166 0 40 IEAB COCCn1c(CCC(=O)Nc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 9520215 DDWWZXOMXDBTCP-UHFFFAOYSA-N 447.923 2.413 0 40 IEAB CC1CCN(Cc2nc(N3CCN(S(C)(=O)=O)CC3)c3c4c(sc3n2)CCC4)CC1 9591533 XDMPBFQOXQHUPJ-UHFFFAOYSA-N 449.646 2.494 0 40 IEAB COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4cc(Cl)ccc4C)c(C)cn23)n(C)c1=O 9829422 UWNUNTOHVHAXFL-GFCCVEGCSA-N 429.864 2.143 0 40 IEAB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)NCc1ccco1)c1ccccc1 9974360 YOIYPGRFCNTJIU-OALUTQOASA-N 437.404 2.432 0 40 IEAB O=C(C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21)N1CCOCC1 11613394 MEHFSTSQONCSNB-AWEZNQCLSA-N 431.905 2.131 0 40 IEAB CCOc1cc(CN2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)ccc1OC 12184650 OOGPAKPOPFQHPJ-IYBDPMFKSA-N 428.533 2.349 0 40 IEAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(CC)c2nc(-c3cccs3)nc(C(N)=O)c21 12242036 PEKIOBYVPQTAQG-CYBMUJFWSA-N 442.545 2.231 0 40 IEAB O=C(NCCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Br)cc1 12880311 KLHIYWUSVKUCCG-UHFFFAOYSA-N 434.290 2.147 0 40 IEAB C[C@@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1ccc2c(c1)OCO2 12977564 VHBTWLQMEIYDHA-OAHLLOKOSA-N 432.473 2.095 0 40 IEAB CSc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)CC2=O)c1 14250826 DIWKUEYWAWOXQA-UKRRQHHQSA-N 441.509 2.431 0 40 IEAB CCC(=O)c1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 15265966 YDOGHSKPQBUSNP-FQEVSTJZSA-N 446.569 2.334 0 40 IEAB Cc1nn(C)c2nc(C3CCN(C(=O)C[C@H]4C(=O)NCCN4C4CCCC4)CC3)ccc12 19744622 XSIOMPKXQLFPAJ-NRFANRHFSA-N 438.576 2.116 0 40 IEAB C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@@H](C)[C@@H]2[C@H]1O 20467192 XIIFBTOKVDWGPQ-NMWWFTPNSA-N 443.588 2.498 0 40 IEAB biogenic,in-vitro COc1ccccc1N1C(=O)C[C@H](N2CCC(n3nnc(-c4cccs4)n3)CC2)C1=O 25174487 YXNOOQBNVHVGAR-INIZCTEOSA-N 438.513 2.379 0 40 IEAB COc1ccc2c(C)c(CCC(=O)Nc3ccc(N4CCNC(=O)C4)nc3)c(=O)oc2c1 31718396 OVHSEAXTOBCSRG-UHFFFAOYSA-N 436.468 2.013 0 40 IEAB CN(C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 32780647 TZRCPCXKBWEYGC-QAPCUYQASA-N 445.566 2.216 0 40 IEAB O=C(CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1)NCc1nnc2n1CCC2 32889123 APGOSCOLDYRWSY-UHFFFAOYSA-N 431.562 2.257 0 40 IEAB CC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cc(F)cc(F)c3)c2=O)cc1 40478099 AUSPNKVNQCQNFN-UHFFFAOYSA-N 438.394 2.156 0 40 IEAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1S(=O)(=O)N1CCOCC1 44841399 CAHFZMSUVKVBDK-UHFFFAOYSA-N 440.525 2.132 0 40 IEAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(F)cc1Br 83891638 FROLTXGUICDLSH-UHFFFAOYSA-N 431.239 2.275 0 40 IEAB O=C(Nc1ccccc1-c1ccc(=O)[nH]n1)C1CCN(c2cc(-n3cccn3)ncn2)CC1 90614069 CCQPHWIBZUXPNN-UHFFFAOYSA-N 442.483 2.268 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N[C@@H](C)COc2ccc(OC)cc2)Oc2ccccc21 218789608 VLXHGZPWRULQHE-MGPUTAFESA-N 434.514 2.196 0 40 IEAB CCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1OCC 224448311 USGYCURJHMNLMR-UHFFFAOYSA-N 436.530 2.430 0 40 IEAB Cc1ccc(CN(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)cc1 224752555 GEYTTYCTYROBGG-UHFFFAOYSA-N 442.541 2.193 0 40 IEAB Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 225569477 UFFXDMITLUGWGG-UHFFFAOYSA-N 443.573 2.044 0 40 IEAB Cn1c(=O)c2ccc([C@H]3CCN(C(=O)c4ccncc4)C3)nc2n(Cc2ccccc2)c1=O 257212128 CCBBFWAYISFWTD-IBGZPJMESA-N 441.491 2.168 0 40 IEAB COC1CCN([C@H]2[C@H](NC(=O)c3cccc(C)n3)C[C@@H](Oc3ccccc3)[C@@H]2O)CC1 257238759 HMKQBSPVJPYODK-LUKWVAJMSA-N 425.529 2.180 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1=O 643556593 LZXQWXMFRAGAQV-VWLOTQADSA-N 443.588 2.334 0 40 IEAB CC(C)CNC(=O)CN1CCOc2ccccc2Oc2ncccc2C(=O)N(C)CC1 643575608 OHQIUDYNWBZGQQ-UHFFFAOYSA-N 426.517 2.413 0 40 IEAB CCc1nnc2ccc(N3C[C@@H]4CN(S(=O)(=O)c5ccc(C)cc5C)C[C@H]4C3)nn12 1888930586 KMKIBZVRYBONRJ-IAGOWNOFSA-N 426.546 2.060 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 976552 IXRYBXCSVHORIN-DPWKNNTCSA-N 440.477 2.018 0 40 IEAB CCOC(=O)c1sc2nc([C@H](C)OC(=O)CN3CCSC3=O)[nH]c(=O)c2c1C 8718922 UGAKFSRGXCEPSL-VIFPVBQESA-N 425.488 2.243 0 40 IEAB O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9097179 WHYAJHMVYOPLHJ-UHFFFAOYSA-N 432.527 2.315 0 40 IEAB O=C(Nc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 9463753 TXHCIIWWFIEWFM-UHFFFAOYSA-N 442.497 2.374 0 40 IEAB Cn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1C(F)(F)F 9508167 FJIYQRBHTZNRLB-UHFFFAOYSA-N 449.480 2.349 0 40 IEAB CCCNC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2O1 10037745 XPYQXFSLIHQUJL-NRFANRHFSA-N 436.512 2.311 0 40 IEAB COc1ccc(OC)c(N(CC(=O)NCCCN(C)C)S(=O)(=O)c2ccc(C)cc2)c1 10111374 DNSJBZCTSMDRJZ-UHFFFAOYSA-N 449.573 2.275 0 40 IEAB COc1ccc(CN2CCC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1CO 12219501 JOFCFNHAOHBNRS-IBGZPJMESA-N 437.544 2.448 0 40 IEAB CCOc1ccc(N2CCn3c2nnc(C(=O)NCCc2cccc(OC)c2)c3=O)cc1 12234180 ZSKFXHZKNXKTQJ-UHFFFAOYSA-N 435.484 2.170 0 40 IEAB Cc1ccc(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCOCC4)cc23)cc1 12566522 UPRRSMKJMASCDX-UHFFFAOYSA-N 427.482 2.110 0 40 IEAB O=C(NCCc1nnc2ccccn12)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 12763463 GNSQTCFNDKQLBM-CYBMUJFWSA-N 428.290 2.204 0 40 IEAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 13146108 LKBGUWRDVRNOFI-UHFFFAOYSA-N 427.530 2.125 0 40 IEAB Cc1csc2nc(CNC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)cc(=O)n12 13235195 NKTGFANDFFMDKC-MRXNPFEDSA-N 425.470 2.041 0 40 IEAB CC(C)n1nc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c2ccccc2c1=O 14230467 CYVYHTZMJODJEG-UHFFFAOYSA-N 443.510 2.487 0 40 IEAB CN1CCN(N2CNC3=N[C@@H](c4ccc(Cl)cc4)n4c(nc5ccccc54)N3C2)CC1 19171506 LTKZZJFOVBYCOE-HXUWFJFHSA-N 436.951 2.395 0 40 IEAB CN1CCN(C(=O)c2ccc(=O)n(CC(=O)Nc3nccs3)c2)[C@H](c2ccccc2)C1 19751201 KBICWGJJOFIUJD-SFHVURJKSA-N 437.525 2.072 0 40 IEAB Cc1ccc(C(=O)CCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 21931438 CHAUWBRVEWKUGH-UHFFFAOYSA-N 436.555 2.357 0 40 IEAB O=C(c1cccc(S(=O)(=O)NCc2ccco2)c1)N1CCN(Cc2ccncc2)CC1 23883367 MJGKHQWZSDNXNV-UHFFFAOYSA-N 440.525 2.111 0 40 IEAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)OC 25666138 VVZDIVZRLUHQKF-IMFGXOCKSA-N 449.548 2.148 0 40 IEAB CC(C)(C)NC(=O)CN1CCCN(S(=O)(=O)c2ccccc2Br)CC1 29384039 WITHHVRREFFTQR-UHFFFAOYSA-N 432.384 2.060 0 40 IEAB NC(=O)CSc1nnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 32745349 YLQWDKWFCVJKSO-UHFFFAOYSA-N 444.007 2.210 0 40 IEAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3Cl)CC2)C1 32759363 UATVEDXMIBGYGV-GASCZTMLSA-N 431.961 2.290 0 40 IEAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCN(S(=O)(=O)c2cccs2)CC1 34800085 ATVSNMTTWCVAJQ-NSHDSACASA-N 433.477 2.499 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cc2c(s1)CCC2 35306554 QNTXVMBUPUVNJC-UHFFFAOYSA-N 435.571 2.434 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccn1 48309607 VZKKCZBITXGQQU-KRWDZBQOSA-N 445.570 2.354 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)C(C)(C)Oc1ccc(F)cc1)n2C 62580028 NTYSDJAGVSIDEN-UHFFFAOYSA-N 432.452 2.263 0 40 IEAB Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1 138549203 IPWWJNQMLCKZNW-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB CC1(C)[C@@H]2CC=C(COC[C@@H](O)CN3CCN(S(=O)(=O)c4ccccc4)CC3)[C@H]1C2 195541277 VXYHEQRLQJPEOZ-RZUBCFFCSA-N 434.602 2.363 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C(=O)N1CCCC1 223783116 ICJANOAHMXUVHD-UHFFFAOYSA-N 431.514 2.434 0 40 IEAB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 225264136 NBIHHZRGERXPGU-HXUWFJFHSA-N 444.553 2.493 0 40 IEAB COCCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@]32NC(=O)c3ccccc3N2)CC1 253595684 HKYLUSLOVIEYBY-APNMAYFZSA-N 426.561 2.155 0 40 IEAB CCS(=O)(=O)N1CCC[C@H](C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)C1 260507343 KEURFONKDOGCQB-ZDUSSCGKSA-N 426.926 2.410 0 40 IEAB CCc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)C(C)C)s1 548545047 YXBWIDOWSDOBBU-SJLPKXTDSA-N 438.571 2.426 0 40 IEAB Cc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccccc4)C3)CC2)cc1 585287180 KFXIGUHYOXEZRL-VWLOTQADSA-N 426.557 2.469 0 40 IEAB CC(C)(C)c1ccc(=O)n(C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 1775968229 TZFMFPPFQYKTCY-UHFFFAOYSA-N 433.530 2.338 0 40 IEAB Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O[C@@H](C)C(=O)NC(C)(C)C)[C@@H]4C2=O)c(C)c1 4967462 UKQQBDFNACHYKG-ZJDXGTTDSA-N 426.513 2.436 0 40 IEAB CC(C)CCNC(=O)CN(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 6133975 IJFDESMPTNVJMM-UHFFFAOYSA-N 428.468 2.263 0 40 IEAB CCOC(=O)C1=C(CSCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)NC(=O)N[C@@H]1C 9126613 XNCKSPZCHJPURO-CQSZACIVSA-N 449.529 2.037 0 40 IEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OC)c(OC)c2OC)C1=O 9324016 PGDOYYRAWMXZMF-RVDMUPIBSA-N 441.440 2.252 0 40 IEAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 12322086 WAYPQJPVLILPNY-MGPUTAFESA-N 429.904 2.333 0 40 IEAB Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1F 12745576 KGLUUAYQVMWLJE-GOSISDBHSA-N 434.489 2.375 0 40 IEAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12975150 MGWYAAXAXMPSAT-KDOFPFPSSA-N 431.961 2.480 0 40 IEAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(S(=O)(=O)NCC(N)=O)cc2)cc1 12982128 CFCDWQWMOGJAHP-FQEVSTJZSA-N 445.541 2.216 0 40 IEAB O=C([C@H]1CCCO1)N1CCc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc21 13696710 YXWBJKVLTXAKTI-LJQANCHMSA-N 430.482 2.327 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1C(=O)N1CCC(C)CC1 14399978 PLUPJUPMPHTTCP-UHFFFAOYSA-N 431.514 2.467 0 40 IEAB CCCCCCn1c(SCC(=O)N[C@H]2CCS(=O)(=O)C2)nc2ccccc2c1=O 15224226 CPRZYXIVWIDYQW-HNNXBMFYSA-N 437.587 2.372 0 40 IEAB COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cc1 17154648 HCMFCLCNTFRTHX-UHFFFAOYSA-N 438.933 2.342 0 40 IEAB CN1CCN(c2ncc(-c3cccnc3)c([C@@H]3CCCN(C(=O)c4cnccn4)C3)n2)CC1 19590121 AEGYSRGFQMIZRZ-LJQANCHMSA-N 444.543 2.100 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 19741808 KCBCXWDUAHORJY-FQEVSTJZSA-N 435.528 2.107 0 40 IEAB COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)N[C@H](C)c3ccccc3)=C2)c1 20551303 PEJCKDLKEMWOPI-CQSZACIVSA-N 429.498 2.444 0 40 IEAB Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCCN4CCOCC4)c12)OC(C)(C)CC3 20757585 UHLUPQFMJFURDI-UHFFFAOYSA-N 444.528 2.422 0 40 IEAB biogenic O[C@@H](COC(C(F)(F)F)C(F)(F)F)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 22036457 CPSYLDLIULKSGI-CYBMUJFWSA-N 444.372 2.404 0 40 IEAB O=C(NCc1ccncc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 41098185 CYRLAGCATAUKCP-GGAORHGYSA-N 442.519 2.478 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1Cl 42379733 QENSLCNQIRBVKH-UHFFFAOYSA-N 437.953 2.250 0 40 IEAB O=C(CN1CCN(c2ccc3c(c2)OCCO3)C1=O)NCc1nc(-c2ccccc2)no1 49389552 OYYYSURJTSWEGQ-UHFFFAOYSA-N 435.440 2.066 0 40 IEAB CC(C)Cn1c(O)nc2c(C(=O)N3CCN(Cc4ccccc4)CC3)snc2c1=O 67350218 NMBXDSUFZRWYDO-UHFFFAOYSA-N 427.530 2.173 0 40 IEAB C[C@H](CC(=O)N1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2)n1nnc2ccccc21 72325747 DGOGOBZLNLGZNX-OAHLLOKOSA-N 440.529 2.105 0 40 IEAB Cc1cc(C(=O)N2CCC(c3nc(N4CCC[C@@H](C)C4)ncc3S(C)(=O)=O)CC2)on1 72335950 OCRPPYWRDDPJND-CQSZACIVSA-N 447.561 2.433 0 40 IEAB Cn1nccc1C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CN(CC2CCCCC2)CC3)CC1 72398733 GOVSITOKLNUJRX-UHFFFAOYSA-N 438.576 2.462 0 40 IEAB COCCC(=O)N1CCC(c2nc([C@H]3CCCN(CC4=CCCOC4)C3)cc(=O)[nH]2)CC1 72399217 ZXVBNRBIQZERKL-FQEVSTJZSA-N 444.576 2.039 0 40 IEAB Cc1nc(NC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)n2)sc1C(=O)N(C)C 77100474 REYQDEZBOAFBFQ-UHFFFAOYSA-N 441.395 2.280 0 40 IEAB O=S(=O)(c1ccc(F)cc1)C1CN(S(=O)(=O)c2ccc(Br)s2)C1 96377738 JTNYVVIMVCEGAN-UHFFFAOYSA-N 440.337 2.497 0 40 IEAB CCc1cc(O)n2nc(C3CCN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)CC3)cc2n1 100723862 WASRHQUAEDDQNS-UHFFFAOYSA-N 442.541 2.350 0 40 IEAB Cc1c(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c(=O)n(-c2ccccc2)n1C 101765300 QFPWKMSABBFKIW-WADIDORASA-N 439.512 2.297 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1Br 102395580 KRYBGDDXRRNEJP-KBPBESRZSA-N 437.290 2.414 0 40 IEAB Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(=O)[C@@H]2CC(=O)Nc1ccc(Cl)cc1 102881613 ZLRMNBKAUMRHEN-MRXNPFEDSA-N 438.871 2.313 0 40 IEAB C[C@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(I)cc1 108157938 MMCJYQRUFIUEIT-FZMZJTMJSA-N 436.315 2.264 0 40 IEAB CN(C)c1nc(N2CCOCC2)ncc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 224347482 VWCPBYVHNGJMML-UHFFFAOYSA-N 431.440 2.199 0 40 IEAB COc1ccc(N(CCCC(=O)NCCCN2CCC[C@@H](C)C2)S(C)(=O)=O)cc1 224656737 FASCYRPZFCBSLL-GOSISDBHSA-N 425.595 2.480 0 40 IEAB CCN(CC(=O)NCc1c(OC)cccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 226070211 RKTDMWLSMIEAEM-UHFFFAOYSA-N 436.530 2.348 0 40 IEAB CCN(CC(=O)N1C[C@H](C(=O)OC)Oc2ccccc21)S(=O)(=O)c1cc(C)ccc1C 260823084 FCHZEKGPIIJUOP-LJQANCHMSA-N 446.525 2.281 0 40 IEAB C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 501930616 ZTEJAGCNJLIXRB-KBXCAEBGSA-N 446.467 2.331 0 40 IEAB C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2ccn(-c3ccccc3F)n2)C1=O 527323513 LBLLSUYANABGTR-NRFANRHFSA-N 442.472 2.382 0 40 IEAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 575425713 HNKZFYLKDRLUSG-MRXNPFEDSA-N 442.946 2.366 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C(C)=O)CC3)ccc2C)cc1 3318107 ODKLTKSACBWJMJ-UHFFFAOYSA-N 445.541 2.499 0 40 IEAB COCCNC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 8721197 XPQDPVAUVLDWIM-UHFFFAOYSA-N 430.465 2.033 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(N)=O)ccc1C 9442140 VBLMECCQOKZYQW-SFHVURJKSA-N 432.546 2.244 0 40 IEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCc1ccc(C(=O)N2CCCCC2)cc1 10460892 DXMJERULVWSVSY-UHFFFAOYSA-N 434.496 2.022 0 40 IEAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1 11212229 QEOHPQXLMYHGLI-UGSOOPFHSA-N 435.546 2.297 0 40 IEAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cc1nc2nc(C)cc(C)n2n1 12182447 GISJQYMQDITKNP-OAHLLOKOSA-N 437.529 2.164 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](c1ccccc1)N1CCCC1 12689292 WJTAIAWJXAPETA-NRFANRHFSA-N 429.542 2.483 0 40 IEAB Cc1nc2c3ccccc3nc(S[C@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)n2n1 13230439 HUSQGYGNWOUKHE-LLVKDONJSA-N 442.526 2.353 0 40 IEAB COCCN(C(=O)CNC(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 13506611 WVLWTLRNTWTHKO-OAQYLSRUSA-N 445.491 2.424 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)cc1 14248680 JVGBPOJBZIVLII-UHFFFAOYSA-N 448.589 2.294 0 40 IEAB O=C(c1cccs1)N1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 15779823 WGIGXQCCNWJZIC-UHFFFAOYSA-N 445.566 2.120 0 40 IEAB CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1=O 16145865 NACBZFNNBGZIAY-UHFFFAOYSA-N 434.496 2.060 0 40 IEAB Cc1nn2c([C@@H]3CN(C(=O)CCc4ccccc4)CCO3)ccnc2c1CN1CCOCC1 19707721 LKRDMXFTYCPQQZ-QHCPKHFHSA-N 449.555 2.403 0 40 IEAB Cc1nccn1CC1CCN(C(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 19748027 RHWCBRUYZUCAKD-GOSISDBHSA-N 434.537 2.280 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cc1 22923130 XJJBNMZPQBRGKY-SFHVURJKSA-N 430.526 2.352 0 40 IEAB COc1cc(OC)c(OC)cc1CNC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 23751538 WPRUPQPGEPRAPM-QKFKETGDSA-N 447.532 2.465 0 40 IEAB O=C(CN1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1)NC1CC1 32243637 OMNCDQIDPJMSFD-UHFFFAOYSA-N 446.345 2.404 0 40 IEAB CN(C(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O)c1ccccc1C(=O)NCc1ccco1 35294218 KCCJUBRZUCKYIX-JOCHJYFZSA-N 446.507 2.085 0 40 IEAB Cc1sc2nc(N3CCN(CC(=O)Nc4nccs4)CC3)n3ncnc3c2c1C 35375755 CJPYOTNFWYXTOR-UHFFFAOYSA-N 428.547 2.173 0 40 IEAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3[C@@H](O)[C@@]21C 50197184 KJPDWMMNIXDJJC-UYUGRFFFSA-N 428.529 2.322 0 40 IEAB CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)sc2c1 70641466 SQNYCERODFBGSY-INIZCTEOSA-N 445.522 2.066 0 40 IEAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)Cc2ccc(O)cc2)CC1 72335895 KYIDAZJQTZDCPN-UHFFFAOYSA-N 444.557 2.135 0 40 IEAB CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1nc2c(Cl)cccc2s1 77196745 PMLFGXJGGHHDDA-UHFFFAOYSA-N 438.962 2.392 0 40 IEAB Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)N(C)c1ccccc1C(N)=O 84028331 QVBUTNXLECKAIH-UHFFFAOYSA-N 427.276 2.380 0 40 IEAB CC(=O)[C@@H](NC(=O)CN1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1)C(C)C 95405699 ZXFWJKZHOAHKCO-FQEVSTJZSA-N 429.483 2.475 0 40 IEAB CC(C)C[C@H](C(=O)N(C)Cc1nnc2n1CCCCC2)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102020240 MJVGLNMZETUZHM-FGTMMUONSA-N 427.549 2.329 0 40 IEAB O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N1CC(Oc2nccs2)C1 208031277 MXOLQHRWXQCGQK-UHFFFAOYSA-N 436.342 2.408 0 40 IEAB CN(C)CCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 216337046 QFTGILNUKPIBEO-UHFFFAOYSA-N 446.411 2.059 0 40 IEAB COc1cccc(N([C@H](C)C(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)c1 220160625 JDTSJBPFHOHUPB-QGZVFWFLSA-N 447.557 2.207 0 40 IEAB C[C@@H](C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)N(c1cccc(F)c1)S(C)(=O)=O 220475576 OAQDHLUBSTZSSW-ZDUSSCGKSA-N 443.522 2.015 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222457734 ZBWAMEJTQQHELZ-GOSISDBHSA-N 431.558 2.233 0 40 IEAB COC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 225548201 GVUPUAZCJOCNGH-OAHLLOKOSA-N 428.938 2.152 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@]21O3 245230778 YQLYQETVFQLIKY-CIICBDETSA-N 443.588 2.443 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC)CC3)CC2)cc1Cl 408597758 XZDLCGMPKFHGFX-UHFFFAOYSA-N 443.997 2.304 0 40 IEAB COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3)cc2)C1 408615798 SIUBGBHGNSXALA-KRWDZBQOSA-N 425.485 2.210 0 40 IEAB CC(C)[C@@H](C(=O)OCC(=O)N[C@@H](C)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408668769 VMCLJVBGLQDUGZ-JDHSSPPPSA-N 426.513 2.463 0 40 IEAB O=C(CN1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1)Nc1cc(-n2cnnn2)ccc1F 538661950 JZWILFOTRGRIFE-INIZCTEOSA-N 447.478 2.405 0 40 IEAB O=C(C[C@]1(COc2cccc(Cl)c2)CN(C(=O)C2CCC2)CCO1)N1CCOCC1 585287173 VKZQZDVCFVYOMO-JOCHJYFZSA-N 436.936 2.365 0 40 IEAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)nn1 1888856525 NSHKDAFDKUFNBL-IRXDYDNUSA-N 430.549 2.029 0 40 IEAB COC(=O)c1ccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1 919837 WJTDXABLMOBAGH-UHFFFAOYSA-N 437.485 2.126 0 40 IEAB 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IEAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 40144197 XUEHQBWXGWHEPV-UHFFFAOYSA-N 429.480 2.377 0 40 IEAB O=C(Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O)Nc1cc(F)ccc1F 44837126 CPYCNZSYFRJMAL-UHFFFAOYSA-N 432.337 2.231 0 40 IEAB O=c1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)cn1Cc1cc(=O)n2ccccc2n1 49007441 DWISJHHFWKMLHD-UHFFFAOYSA-N 441.403 2.350 0 40 IEAB C[C@H](C(=O)N[C@H]1CCc2ccccc21)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326373 SCTYIIANCMSUBI-YIEPVFBUSA-N 433.512 2.138 0 40 IEAB COc1cccc(CN2CC3=C(C2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N3)c1 72346478 ZBFDDZBYAVXRDI-FQEVSTJZSA-N 439.468 2.371 0 40 IEAB COc1ccc(CN(C)CC(=O)N2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)cc1 72370866 QGYLXQODTORFSX-OAQYLSRUSA-N 448.527 2.161 0 40 IEAB C[C@@H](NC(=O)COc1ccccc1F)C(=O)N1Cc2ccccc2OC[C@@H]1CN(C)C 72394921 XVGAMVDAZYBJSP-AEFFLSMTSA-N 429.492 2.061 0 40 IEAB O=C(O)[C@H]1C2C[C@@H]3C[C@@H](C2)CC1(n1ncc(N2CCC4(CC2)OCCO4)c(Cl)c1=O)C3 101272380 HYXRIRSXTMQTLI-QAGIRJAMSA-N 449.935 2.476 0 40 IEAB CC[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccccc1)S(C)(=O)=O 224734229 SAIJTZNYMVLHJG-JOCHJYFZSA-N 445.585 2.380 0 40 IEAB CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 226649641 UKAHJJSTQRBPJW-NXEZDXNNSA-N 440.235 2.259 0 40 IEAB Cc1noc(-c2ccn3c(CNC(=O)c4nnn(-c5ccc(F)cc5)c4C)nnc3c2)n1 238926803 USIZDCPEYJONBU-UHFFFAOYSA-N 433.407 2.046 0 40 IEAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 245285413 XDFGTOZNSFXOJX-UGKGYDQZSA-N 441.553 2.492 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CN(C(=O)c4ccnc(NC)c4)CCO3)c2)cn1 257328782 XHCBGDAPSXVZDQ-OAQYLSRUSA-N 446.511 2.462 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408671069 YINJLSMHQVVXDT-KFMSBCHRSA-N 434.876 2.252 0 40 IEAB Cc1ccc(CC(=O)N2CCO[C@]3(C2)C(=O)N(CCN(C)C)C[C@@H]3c2ccccc2)cc1 585106739 HAJDXASMFRHZFM-BVAGGSTKSA-N 435.568 2.323 0 40 IEAB C[C@@]1(CCCC(=O)NC[C@H](O)c2cccc(OCc3ccccc3)c2)NC(=O)NC1=O 1137367577 OKVASDNRAXOARB-CVDCTZTESA-N 425.485 2.184 0 40 IEAB O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 1361830 IVKKPMMZOYVQFM-UHFFFAOYSA-N 444.561 2.070 0 40 IEAB COC(=O)[C@H](NC(=O)c1ccccc1)[C@@H](c1c(O)cc(O)cc1O)P(=O)(OC)OC 1626670 DPXHLJYLCMEQPX-IAGOWNOFSA-N 439.357 2.302 0 40 IEAB Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1 3534860 FUEGLEMNBUPQAJ-MRXNPFEDSA-N 446.554 2.290 0 40 IEAB O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)Nc1cccc(F)c1 8769297 JULYZKYHMWXHQP-UHFFFAOYSA-N 428.439 2.490 0 40 IEAB Cn1c(=O)c2c(nc(OCc3ccco3)n2Cc2cccc(Br)c2)n(C)c1=O 8926186 WFCNOSICPYPUNI-UHFFFAOYSA-N 445.273 2.417 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)c1 9245249 ZUOPXVDAWJHYHY-UHFFFAOYSA-N 430.486 2.389 0 40 IEAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 9315043 UUQNAGNQVAODIC-QGZVFWFLSA-N 430.505 2.127 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1 9492913 VEYXVBGOQXDYSX-UHFFFAOYSA-N 437.543 2.151 0 40 IEAB CC(=O)N1CC2(CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)Nc2ccccc21 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CC(C)NC(=O)c1cc([C@H]2CN(CC(=O)NCc3ccccn3)CCO2)nc2ccccc12 19759432 XHGPWFBCSRZIJH-HSZRJFAPSA-N 447.539 2.458 0 40 IEAB CC[C@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)C(=O)Nc1cc(C)on1 21760810 VMMDTSOLQDMMRJ-GJZGRUSLSA-N 439.465 2.236 0 40 IEAB COc1ccc(OC)c([C@@H](c2sc3nc(C)nn3c2O)N2CCN(C(C)=O)CC2)c1 22627514 HYVJJOSGQXWYIN-KRWDZBQOSA-N 431.518 2.076 0 40 IEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 24660952 ZGDKIADYCFTGDQ-HZPDHXFCSA-N 436.555 2.447 0 40 IEAB COc1cc(/C=c2\sc3nc(=O)c(Cc4ccccc4)c(C)n3c2=O)ccc1OC(C)=O 27022704 OCUMXTPBZKSGPJ-BKUYFWCQSA-N 448.500 2.497 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1Cn1ncc2ccccc2c1=O 40082996 MFBTZRGQPZTPBK-JOCHJYFZSA-N 428.496 2.330 0 40 IEAB COc1ccccc1CNC(=O)Cn1ccn2nc(-c3ccc4c(c3)OCO4)cc2c1=O 46005237 OEEGYCKWKVAMMW-UHFFFAOYSA-N 432.436 2.217 0 40 IEAB Cc1ccc(C2(CN3CCC(NC(=O)Cc4c(C)[nH]c(=O)[nH]c4=O)CC3)CCCC2)cc1 72393540 OGUHPKZBSAHBBJ-UHFFFAOYSA-N 438.572 2.315 0 40 IEAB CCCOc1ccc([C@@H](C)NC(=O)CNS(=O)(=O)CCCOC)cc1OCCC 89960337 NDXSQEKBWCDDEC-MRXNPFEDSA-N 430.567 2.397 0 40 IEAB CC(C)(C)CC(=O)N1C[C@@H]2[C@H](C1)c1nc(NCc3ccccn3)ncc1CS2(=O)=O 96252116 MSXNKEVSEHAFOZ-DLBZAZTESA-N 429.546 2.143 0 40 IEAB CCOc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)n2)cc1 222588984 QQIVHEDGXWFZKS-UHFFFAOYSA-N 444.513 2.381 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)COc2ccccc2C)cc1N1C(=O)CCC1=O 225714735 VPKZXTDPTRTHKO-HNNXBMFYSA-N 432.498 2.403 0 40 IEAB C[C@]1(C2CCN(C(=O)CCn3nc(O)ccc3=O)CC2)CN(c2ccc(F)cc2)C(=O)O1 257291413 QGWGCJNRZSUUKK-JOCHJYFZSA-N 444.463 2.132 0 40 IEAB CCN1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)CC1 408597986 YNNDPJHGWPPPRM-UHFFFAOYSA-N 429.970 2.104 0 40 IEAB C[C@@H]1NC(=O)C2(CCCCOCCCNC1=O)CCN(C(=O)c1cccc(F)c1)CC2 643565234 VGXSMGSYZGMKBR-KRWDZBQOSA-N 433.524 2.260 0 40 IEAB CC(=O)N1CC(C(=O)N2CCN(CC(C)C)CCCN(C(C)=O)c3ccccc3C2)C1 2037916085 MMUQMRALWRFWIZ-UHFFFAOYSA-N 428.577 2.208 0 40 IEAB CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4ccccc4)CC3)nc21 2341581 ARGUMDNARGOSPU-UHFFFAOYSA-N 438.513 2.029 0 40 IEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1nnc(N)s1 3265913 MUDBDNWFPMZQGU-UHFFFAOYSA-N 439.563 2.485 0 40 IEAB O=C1NC(=O)[C@H](CC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 4128217 CYAAMPQBSHNNKR-SFHVURJKSA-N 444.532 2.358 0 40 IEAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)OCC(=O)N1CCNC1=O 9196791 CCCKPOGOSIGMSV-QGZVFWFLSA-N 429.860 2.296 0 40 IEAB O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(c2ncccn2)CC1 9283505 WGXWRVKDWMKWNA-UHFFFAOYSA-N 426.480 2.197 0 40 IEAB CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 9403520 MJUFNQTYQUSDRU-UHFFFAOYSA-N 427.457 2.376 0 40 IEAB C[C@H](NC(=O)C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2CN1)c1ccc(Cl)cc1)C(=O)O 9435360 RZVSRXZQGHHOQZ-DCPHZVHLSA-N 443.931 2.234 0 40 IEAB CCOC(=O)c1c(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)sc(C(N)=O)c1C 9632301 ARZVWZKPHMDIOM-UHFFFAOYSA-N 447.513 2.174 0 40 IEAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(c3ccccn3)CC2)C1=O 9739778 GIAJGMSHBCBPTG-RUZDIDTESA-N 443.507 2.351 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC(=O)NC(C)(C)C)cc2)cc1 9918149 ODZMESSRRYCOJK-UHFFFAOYSA-N 445.541 2.012 0 40 IEAB Cc1ccc(-n2ncc3c(=O)[nH]c(SCC(=O)N4CC(=O)Nc5ccccc54)nc32)cc1 12675689 BNIQIAXPMVEGTE-UHFFFAOYSA-N 446.492 2.495 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(C)nn(C)c4s3)CC2)cc1 12810274 DGPNFCKZMMVYDM-UHFFFAOYSA-N 448.570 2.489 0 40 IEAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 14021079 JUNKKELMRCSPBX-KRWDZBQOSA-N 429.473 2.101 0 40 IEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cnc4n(c3=O)CCS4)cc2)C1 15823322 UCEZLUTWLSTISY-KBPBESRZSA-N 448.570 2.268 0 40 IEAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)on1 19121765 ACKVGURREIKFJW-SFHVURJKSA-N 447.561 2.474 0 40 IEAB NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cnc(N3CCOCC3)nc2)CCO1 19697873 KIEFKGBUCLCHSF-QGZVFWFLSA-N 439.541 2.200 0 40 IEAB CN1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)c3ccc4nsnc4c3)nc2)CC1 19708236 WJWFAQSCBDYJMP-HXUWFJFHSA-N 436.541 2.451 0 40 IEAB CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4cccnc4)CCO3)nc3ccccc23)CC1 19759351 BLZQEZNBIUKDSZ-QHCPKHFHSA-N 445.523 2.231 0 40 IEAB CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(CC)CC3)cc2c1 19973326 LWSCPRUAJVWJJN-FQEVSTJZSA-N 439.564 2.395 0 40 IEAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 21933120 VPZDBFWTWCWPEC-UHFFFAOYSA-N 445.585 2.149 0 40 IEAB Cc1cccc(CN2CCN(CC(=O)NCC3(N4CCOCC4)CCCCC3)CC2)c1 22784044 HPPJWZPTUQMJSD-UHFFFAOYSA-N 428.621 2.264 0 40 IEAB Cc1ccc([C@@H](CNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)N2CCOCC2)o1 25399467 VKGPZFVEVHUKQJ-IEBWSBKVSA-N 427.501 2.282 0 40 IEAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1 32900421 ONGJACMREVQUGK-UHFFFAOYSA-N 439.559 2.413 0 40 IEAB COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccccc3C)c2=O)c(OC)c1 40477184 BHDJQZMFISFZRA-UHFFFAOYSA-N 434.456 2.001 0 40 IEAB COc1cccc(CNC(=O)c2ccc(C3CCN(C(=O)c4nccn4C)CC3)nc2N)c1 72348370 PYLZNBLIDFPENC-UHFFFAOYSA-N 448.527 2.356 0 40 IEAB COC(=O)c1ccc(OC)c(CN2N=N[C@@H]3C(=O)N(c4ccc(F)c(F)c4)C(=O)[C@@H]32)c1 95481469 ICXKDMNISLCUNS-DLBZAZTESA-N 430.367 2.253 0 40 IEAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2cccs2)CC3)C1=O 96144442 WKCOKQCEUREHPS-JOCHJYFZSA-N 432.590 2.135 0 40 IEAB CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2ccsc2)CC3)C1=O 96144444 TUXMRLSSNKQKFF-JOCHJYFZSA-N 432.590 2.135 0 40 IEAB Cc1ccccc1C(=O)N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 97943484 NZLOWPRQGPWICZ-NRFANRHFSA-N 431.496 2.456 0 40 IEAB CCOc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222667749 UXSSIAMQPXDESQ-HNNXBMFYSA-N 434.514 2.500 0 40 IEAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C[C@@H]2CCCO2)N1CCN1CCOCC1 223134576 TXGIRZJFADEZMU-VLCRHTCISA-N 441.601 2.367 0 40 IEAB CC[C@@H](Oc1ccccc1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 224492087 FSPJRTJQDYAFKA-OAQYLSRUSA-N 448.541 2.060 0 40 IEAB CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc2ccc(F)cc2)[C@H]1c1ccccc1 257202608 AMOXRFOZWZGUHC-ONTIZHBOSA-N 426.492 2.173 0 40 IEAB CNc1nc([C@@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)nc2c1CN(C(C)=O)CC2 257269553 MQLQDNNWONEHEG-QGZVFWFLSA-N 443.573 2.218 0 40 IEAB CSCC[C@H](NC(=O)c1c(-n2cnnn2)sc2c1CCC2)c1nnc2ccccn12 524735427 BOPPVYSMUINFMR-ZDUSSCGKSA-N 440.558 2.479 0 40 IEAB Cn1c(C(=O)N2CCN3C(=O)OC4(CCN(C(=O)C5CC5)CC4)[C@@H]3C2)cc2ccccc21 1549160066 ACKDEVHPTVXVFP-FQEVSTJZSA-N 436.512 2.226 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]21 1889168592 CGIKTFTTYMRVFL-DZGCQCFKSA-N 429.468 2.350 0 40 IEAB CC(=O)N1CC[C@H]2CC[C@@H](CN(CC3CCOCC3)Cc3ccccc31)N2S(C)(=O)=O 2037949658 LWUACSOABMEMHQ-YADHBBJMSA-N 449.617 2.464 0 40 IEAB O=C(Nc1ccccc1)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cnc3ccccc31)CO2 2332243069 HFEUMIKGLVFCOF-KRWDZBQOSA-N 426.498 2.136 0 40 IEAB CC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)CC1 3352113 RVOFPCKYXOOPTA-UHFFFAOYSA-N 447.944 2.396 0 40 IEAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(c2nnnn2-c2ccccc2)CC1 9126198 ZXOATOYVRCZWOU-UHFFFAOYSA-N 438.435 2.192 0 40 IEAB O=C(COC(=O)CCNS(=O)(=O)c1cccs1)Nc1ccc(OC(F)F)cc1 9390428 YKPDYDIAONKHBW-UHFFFAOYSA-N 434.442 2.200 0 40 IEAB O=C(CNc1nc(Cl)nc2[nH]cnc12)N1CCN(c2nsc3ccccc23)CC1 9548051 UBTYNNHDMVSHNV-UHFFFAOYSA-N 428.909 2.377 0 40 IEAB COc1cc(-c2nnc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)o2)cc(OC)c1OC 10252630 QHMOWCHQQQBJQE-UHFFFAOYSA-N 447.469 2.347 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1 11077369 OMQMGEFRGFBRBE-UHFFFAOYSA-N 445.589 2.098 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 12817998 GDEIUGHTRCJTOP-FUHWJXTLSA-N 430.501 2.081 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2=O)cc1 13131244 NPWAUBUQFUOKFM-ZDUSSCGKSA-N 441.509 2.179 0 40 IEAB CC1(C)[C@H]2CC=C(COC[C@@H](O)CN3CCN(S(=O)(=O)c4ccccc4)CC3)[C@@H]1C2 13147668 VXYHEQRLQJPEOZ-ONTIZHBOSA-N 434.602 2.363 0 40 IEAB O=c1cccc2n1C[C@@H]1C[C@H](C2)N(c2nc(N3CCCCC3)nc(N3CCCCC3)n2)C1 13465069 RWERFBZTMRQMDB-AZUAARDMSA-N 435.576 2.465 0 40 IEAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1 13566296 DMBGGYHIUBPZSY-OAHLLOKOSA-N 447.513 2.072 0 40 IEAB COc1ccc(-c2cc(NC(=O)c3snnc3C)n([C@@H]3CCS(=O)(=O)C3)n2)cc1 13692773 XFTPLWBCUOAABM-CYBMUJFWSA-N 433.515 2.331 0 40 IEAB COc1ccccc1CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 14603621 FQIFMOSQGCGBSO-IRXDYDNUSA-N 432.542 2.466 0 40 IEAB CC(C)C[C@@H](NC(=O)C1CCC(CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 15959698 KPZYKZKTIXZRHP-ZGRYLRDCSA-N 441.569 2.438 0 40 IEAB biogenic CCOC(=O)C1=NO[C@@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 18179406 MBEUWJISCBRAQN-CYBMUJFWSA-N 434.802 2.110 0 40 IEAB O=S1(=O)CC[C@H](N(Cc2cccs2)S(=O)(=O)c2cccc3nsnc23)C1 19079164 WFVYSYGNEWBPMC-NSHDSACASA-N 429.570 2.131 0 40 IEAB O=C(C[C@H]1CCCO1)N1CCC[C@@H]1c1nn(CCO)cc1-c1ccnc(N2CCCC2)n1 19404150 HQOHOQPEUPYBRE-YLJYHZDGSA-N 440.548 2.165 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3cc(C)sc3C)CC2)cc1 19567875 DUZSPZOCRGXGMS-FQEVSTJZSA-N 437.587 2.363 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 22227656 DJRDWUNNIIPEPM-UHFFFAOYSA-N 438.571 2.309 0 40 IEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OCCO)cc1Br 28924726 FUKILFUQRFCOAT-LJQANCHMSA-N 448.317 2.157 0 40 IEAB O=C(NC1CCCCC1)c1nnsc1NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 33435738 YOUWOGSEYKZQIT-KGLIPLIRSA-N 442.545 2.414 0 40 IEAB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)NCCc2ccccc2)CC(=O)N3)cc1 40399877 OOLMVJXCDSDKKW-QGZVFWFLSA-N 433.468 2.307 0 40 IEAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCN1CCN(c2ccccc2)CC1 48263921 HGDZTOUDIKNZJU-UHFFFAOYSA-N 442.869 2.459 0 40 IEAB COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)N3CCCCC3)co2)CC1 56949778 RGRVMFVGBOJXIU-UHFFFAOYSA-N 441.528 2.362 0 40 IEAB CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)c1 58244693 LICIBYOAGUVGQW-NRFANRHFSA-N 443.569 2.337 0 40 IEAB CC(C)OC(=O)c1ccc(NC(=O)CNC(=O)N2CCN(c3ccccn3)CC2)cc1 61720498 ISLNCBXMILAEDR-UHFFFAOYSA-N 425.489 2.117 0 40 IEAB O=C(CCc1ccco1)N1CCC(C(=O)N2CCN(C(=O)CCc3ccco3)CC2)CC1 72311506 GJEZIOSNQMQYRF-UHFFFAOYSA-N 441.528 2.347 0 40 IEAB Cn1c(=O)n(C)c2cc(C(=O)Nc3ccc(-n4cc(Br)cn4)nc3)ccc21 72401894 GYLQASXSKSGQPL-UHFFFAOYSA-N 427.262 2.473 0 40 IEAB O=C1N[C@@H]2[C@H](CCCCC(=O)N3CCN(c4nc5cccnc5s4)CC3)SC[C@@H]2N1 84493537 SMTKSGJCZJXOCW-ZOBUZTSGSA-N 446.602 2.066 0 40 IEAB COc1ccc(OCCc2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)s2)cc1 95116477 SUGISFDWGFRLGM-UHFFFAOYSA-N 438.465 2.403 0 40 IEAB COc1cc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc(OC)c1 101165887 UQWSLXNFMAJWOM-ZWKOTPCHSA-N 443.847 2.289 0 40 IEAB COc1cccc(-c2noc(CNC(=O)[C@H](C)N(c3ccccc3F)S(C)(=O)=O)n2)c1 220322974 BJYDEXYGKZVAGK-ZDUSSCGKSA-N 448.476 2.355 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2cc(C)ccc2C)S(C)(=O)=O)CC1 220534135 PZQJGIKPRAYUEM-QGZVFWFLSA-N 425.551 2.149 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222984024 BLGZKBNDIRIEGC-HXUWFJFHSA-N 449.548 2.454 0 40 IEAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223177177 LBAMVERFQWLTJL-NHCUHLMSSA-N 429.590 2.224 0 40 IEAB Cc1cccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C 223924500 WYRNNRBGHWIEPF-UHFFFAOYSA-N 434.514 2.036 0 40 IEAB Cc1nonc1C(=O)NCC(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257277209 NWWMYHZVGCKOQH-OAHLLOKOSA-N 427.436 2.232 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)Cc1ccccc1 408621715 NVPCYSSEXRWBAW-MDWZMJQESA-N 427.570 2.306 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc2c(c1)OCCO2 408705245 AILFDMABEDVYGX-UHFFFAOYSA-N 440.543 2.257 0 40 IEAB O=C1[C@@H]2[C@H]3C=C[C@@](C4OCCO4)(O3)[C@@H]2C(=O)N1c1ccc(Br)c(Cl)c1 409286441 QANICRGBZKRDKC-KOFHJDLBSA-N 426.650 2.288 0 40 IEAB COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)c1 581863844 VUBDQNQATZBFKN-SFHVURJKSA-N 449.504 2.171 0 40 IEAB COc1ccc(OC)c(NC(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 3301141 DWKUOVHQAAATOR-UHFFFAOYSA-N 426.425 2.262 0 40 IEAB COCCNC(=O)[C@@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1 4093140 FSOSRSUPOINGRY-HSZRJFAPSA-N 444.495 2.363 0 40 IEAB CCOCCCNC(=O)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)CNC(C)=O 8690863 CMTXEHGJUOSCAV-NRFANRHFSA-N 431.558 2.497 0 40 IEAB CSCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)O 8893183 SGYDNARVYPYITD-OAHLLOKOSA-N 434.967 2.063 0 40 IEAB C[C@H](O)CSc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1 8934510 HDAYGVRHTVQPDN-INIZCTEOSA-N 436.537 2.466 0 40 IEAB CCC[C@@]1(c2ccccc2)NC(=O)N(CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 8943073 YKVOVMUQPPFGPI-NRFANRHFSA-N 427.482 2.079 0 40 IEAB COc1cc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)F 9144602 HKHUJMUWMIYAJO-CQSZACIVSA-N 449.472 2.125 0 40 IEAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)C(F)F 9570805 ZAFYFKRTAPKSCZ-UHFFFAOYSA-N 427.820 2.242 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)/C=C/c3ccc(C)o3)CC2)c(C)c1 9590764 LLMODNQZJPNMTH-VQHVLOKHSA-N 446.525 2.294 0 40 IEAB COc1ccc([C@H](CNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)N(C)C)cc1 9593999 FBRONZGGXWUBMF-OZIPEELISA-N 431.558 2.395 0 40 IEAB Cc1cc(C)c(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)c(C)c1 9715352 URCBGPDRKNZJNQ-UHFFFAOYSA-N 438.513 2.121 0 40 IEAB C[C@@H](NC(=O)Cn1c(=O)c(N2CCCCC2)c(N)n(C)c1=O)c1ccc2ccccc2c1 9780740 SUSDPZSCYGRSPG-MRXNPFEDSA-N 435.528 2.150 0 40 IEAB CN(C[C@H]1COc2ccccc2O1)C(=O)CNS(=O)(=O)c1ccc2ccccc2c1 9963247 VGJWPPOCOOICII-SFHVURJKSA-N 426.494 2.417 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ncc(C)s1 10627512 DNFLVSMSMBKQIE-CYBMUJFWSA-N 443.572 2.261 0 40 IEAB CCc1nnc(NC(=O)CSc2nc3c(c(=O)n2CCOC)S[C@H](C)C3)s1 11726506 LFDVGOQEYRDZMK-SECBINFHSA-N 427.577 2.071 0 40 IEAB Cc1cc(O)n2nc(C3CCN(C(=O)[C@@H](C)c4n[nH]c(=O)c5ccccc45)CC3)cc2n1 12134157 NRDNFGJEHXXKRH-AWEZNQCLSA-N 432.484 2.490 0 40 IEAB C[C@@H](C(=O)N1CCC(c2ncccc2S(C)(=O)=O)CC1)c1n[nH]c(=O)c2ccccc12 12144062 IDGLRNBRETWDSP-CQSZACIVSA-N 440.525 2.231 0 40 IEAB Cn1c(SCC(=O)NCc2ccccc2CN2CCOCC2)nnc1C(F)(F)F 12553397 MDHKWYNCWJHHCR-UHFFFAOYSA-N 429.468 2.075 0 40 IEAB O=C(Nc1ccc(Br)cc1Cl)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 12782729 GIWRYSIEBXIANU-JTQLQIEISA-N 448.726 2.207 0 40 IEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 12903967 ZYKDBAISVFSVEM-UHFFFAOYSA-N 438.450 2.214 0 40 IEAB O=C(CN1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1)NCc1ccccc1 13007301 DNVNVMHUNUPRNL-UHFFFAOYSA-N 443.551 2.435 0 40 IEAB COc1ccc(S(=O)(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1OC 13799415 KKZSFEIUJNBVBR-UHFFFAOYSA-N 447.488 2.435 0 40 IEAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N1CCN(Cc2ccccc2)CC1 14136580 OYTYVVSYRXIYDM-QHCPKHFHSA-N 438.553 2.176 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc3nnn(OCC(=O)NC4CCCCCC4)c3c2)C1 14735369 NCFRWYZQRMECLX-MRXNPFEDSA-N 449.577 2.120 0 40 IEAB O=C(Nc1ccccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 15935416 OSEQYELKCPZJJG-AWEZNQCLSA-N 446.920 2.355 0 40 IEAB Cc1cccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 19078979 GHHSMEYRMJVKEL-HNNXBMFYSA-N 445.570 2.333 0 40 IEAB CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2cnc(NC)nc2)C1 19739225 LQAQACBTNOFHLW-JOCHJYFZSA-N 426.521 2.375 0 40 IEAB C[C@H]1CN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H](C)O1 21049108 CVBWABCXXKLQLS-KBPBESRZSA-N 431.986 2.208 0 40 IEAB COc1ccc(CNC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c(OC)c1OC 22340385 FWNWMIYBNQKUME-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[nH]1 24976525 IUBWMGAYWZPBAM-SNVBAGLBSA-N 434.909 2.477 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)c1 29083033 LKJLRGULLXLKEE-FQEVSTJZSA-N 449.548 2.292 0 40 IEAB COc1cc(CN(C(=O)c2cc(S(N)(=O)=O)cn2C)C2CC2)ccc1OC(F)F 40017845 OLYIWVAUGHSRHU-UHFFFAOYSA-N 429.445 2.087 0 40 IEAB CC(C)CN(C(=O)Cn1nc(-c2ccccc2Cl)ccc1=O)[C@@H]1CCS(=O)(=O)C1 44901690 OIMUWKQEBWILDL-OAHLLOKOSA-N 437.949 2.235 0 40 IEAB CS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)cc1 48355545 QEXMPVBITDAGDX-UHFFFAOYSA-N 446.344 2.406 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)ccn1 48362621 NJGLOZXNYPXEEF-LJQANCHMSA-N 425.514 2.045 0 40 IEAB COC(=O)CN(Cc1cc(OC)cc(OC)c1)S(=O)(=O)c1ccc(OC)c(F)c1 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O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2N1Cc1ccccn1 306136982 QIESOWZWNGKKMD-VQTJNVASSA-N 440.500 2.452 0 40 IEAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(OC)cc3)CC2=O)cc1 408658320 QWQYRSRZTPJOFM-MRXNPFEDSA-N 440.452 2.407 0 40 IEAB O=C(Nc1ccc2c(c1)OCO2)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 585148450 CAWIRIBTADRSKG-UHFFFAOYSA-N 428.367 2.238 0 40 IEAB CCOC(=O)N1CCC(N2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)CC1 585287178 KFDOOKYHICSMNO-ICSRJNTNSA-N 430.904 2.277 0 40 IEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cc(C)[nH]n3)[C@@H]21 604419510 HGIUHZULQDLPHE-OAQYLSRUSA-N 447.451 2.489 0 40 IEAB Cc1ocnc1C(=O)N1CCO[C@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643556348 LGERPCANDYFSRC-HSZRJFAPSA-N 427.501 2.458 0 40 IEAB NS(=O)(=O)c1ccc(NCC(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c(F)c1 1625149891 GTOYCKVGSCZPQU-UHFFFAOYSA-N 440.460 2.233 0 40 IEAB CC(C)c1ccc(CN2CCC[C@@]3(CC(C(=O)N[C@H]4CCS(=O)(=O)C4)=NO3)C2)cc1 2056226426 RCHQSTJHGUNSSP-SIKLNZKXSA-N 433.574 2.224 0 40 IEAB NC(=O)COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2399880 RGFIBOJJHMMWEH-KKSFZXQISA-N 434.448 2.381 0 40 IEAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccc(N(C)C)cc1 3332159 LOUWNJTUZOMICB-ZDUSSCGKSA-N 439.921 2.255 0 40 IEAB O=C(Nc1nnc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)s1)c1ccccc1 9252334 HJJQDEPXZWEYSL-UHFFFAOYSA-N 447.517 2.440 0 40 IEAB COc1ccc([C@H]2CCCN2CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(OC)c1 9364463 VVUHLRCSAXWIMN-QGZVFWFLSA-N 430.505 2.127 0 40 IEAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 9425354 PHZWFULIILAWPF-ZDUSSCGKSA-N 440.905 2.473 0 40 IEAB COC[C@H](C)n1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O 9666629 RJIVTQCVZIQDAP-NSHDSACASA-N 432.527 2.495 0 40 IEAB COc1cccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c1 9699608 XSBRQTXIKQDVPY-RCDICMHDSA-N 431.489 2.314 0 40 IEAB O=C(NCc1ccccc1CN1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9730312 JIFBXXVLSIPWDF-UHFFFAOYSA-N 443.569 2.233 0 40 IEAB COc1ccc(CCN[C@H](CC(=O)Nc2ccc(NC(C)=O)cc2)C(=O)O)cc1OC 10186411 RCTZGUIVUNMNRX-GOSISDBHSA-N 429.473 2.276 0 40 IEAB COc1cc(C(=O)Nn2cnc3c(cnn3-c3ccc(C)cc3)c2=O)cc(OC)c1OC 10251439 QORGRGPVMHIUEG-UHFFFAOYSA-N 435.440 2.300 0 40 IEAB CN(C)c1ccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 11796142 GEGLMZVJXQQYBI-UHFFFAOYSA-N 430.574 2.025 0 40 IEAB CC[C@@H](C(=O)N1CCC[C@H](c2c(S(C)(=O)=O)cnc3ncnn23)C1)c1ccccc1 12158870 CHKNFKLLNGPWBQ-DLBZAZTESA-N 427.530 2.428 0 40 IEAB CC[C@]1(c2ccc(NC(=O)C(=O)N3CCN(c4ccccc4)CC3)cc2)CCC(=O)NC1=O 12325149 ZWUCNRWODPUMCJ-RUZDIDTESA-N 448.523 2.058 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 12819467 RYWYEGRFUMHGBR-UHFFFAOYSA-N 430.498 2.405 0 40 IEAB Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 13039532 LDPHHGBJFWERTE-UHFFFAOYSA-N 446.525 2.068 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3OC)CC2)cc1 13633195 GNSLGVJPHAJTRU-UHFFFAOYSA-N 447.557 2.063 0 40 IEAB CCN(C(=O)[C@@H](C)OC(=O)c1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CCS(=O)(=O)C1 16716855 JUGLKGSYCWECFY-VQIMIIECSA-N 433.530 2.070 0 40 IEAB Cn1nccc1C(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)C1 19289132 KWBHSKBTHUUFKK-HNNXBMFYSA-N 438.557 2.143 0 40 IEAB CNc1nc(C2CCN(C(=O)Cc3csc(C)n3)CC2)nc2c1CN(C(C)=O)CC2 19711396 MCUOSZFICUOKJS-UHFFFAOYSA-N 428.562 2.137 0 40 IEAB COc1ccccc1CNC(=O)c1ccc(C2CCN(C(=O)c3cnn(C)c3)CC2)nc1N 19765973 MNIUPPJEEJXEDO-UHFFFAOYSA-N 448.527 2.356 0 40 IEAB COc1cc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3ccccc3O2)ccc1OC(C)C 20110143 NIVYGLHDJVOSOJ-FQEVSTJZSA-N 434.514 2.326 0 40 IEAB O=C(CN1CCN(C(=O)Cn2ccc3cc(Br)ccc32)CC1)N1CCCC1 20729646 QXUNPSYFLQECGF-UHFFFAOYSA-N 433.350 2.170 0 40 IEAB O=C(NCCN1CCOCC1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 24061562 ZZOWXKAKMAKPHN-UHFFFAOYSA-N 441.912 2.342 0 40 IEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 35895248 RCOXOIANDIFCLC-HAGHYFMRSA-N 436.439 2.447 0 40 IEAB COc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCN(c3ncccn3)CC2)cc1 57363713 VIWXDYHVCVWODT-UHFFFAOYSA-N 446.511 2.498 0 40 IEAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCCC(=O)Nc1ccncc1 58214166 VYGSCKALRQYGSS-QGZVFWFLSA-N 430.892 2.493 0 40 IEAB CCN(CCNC(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1)c1ccccc1C 72301515 FMAQXVMNUZPJEF-QFIPXVFZSA-N 449.555 2.075 0 40 IEAB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 79192530 ZKRKUTUHDDFPRU-UHFFFAOYSA-N 444.484 2.279 0 40 IEAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)C(=O)Nc1cccc(N2CCCCC2=O)c1 90612718 LBRVMNJSKRKJDO-GOSISDBHSA-N 439.468 2.111 0 40 IEAB CNC(=O)c1ccc(C(=O)N2CCN(Cc3ccc(OCC(F)(F)F)cc3)CC2)cn1 95401027 XDDJIADNDNKQBQ-UHFFFAOYSA-N 436.434 2.340 0 40 IEAB O=C(NCCc1ccc(F)cc1)N1CC[C@@H]2CN(Cc3ccncc3)S(=O)(=O)[C@@H]2CC1 96263711 OZWDSFSWVWZWQN-TZIWHRDSSA-N 446.548 2.399 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)cc1 101167449 QALZFLJOSNPDHL-RTBURBONSA-N 435.440 2.104 0 40 IEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 223792207 LWVPKOFUVPWSAJ-UHFFFAOYSA-N 438.527 2.449 0 40 IEAB CC(=O)O[C@@H]1C[C@H]2[C@H](O)[C@]3(C(=O)[C@@H]2C)[C@H](O)C[C@@H]2C(C)(C)CC[C@@H](OC(C)=O)[C@@]2(C)[C@@H]13 245239634 LGRQSRYHHCUXCE-ZYTNNWKUSA-N 436.545 2.259 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)C2)nc2c1CN(C)CC2 257281534 OPQUPJZWCKYUOT-LJQANCHMSA-N 448.571 2.258 0 40 IEAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1OCC 408700754 LGPCJOHULHDWJE-UHFFFAOYSA-N 431.558 2.342 0 40 IEAB COc1ccc(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(OC)c1 408704384 MTEQYSPDYDSLRV-CYBMUJFWSA-N 436.486 2.268 0 40 IEAB C[C@@]1(c2ccc(-c3noc([C@H]4CCN(c5ccc(F)cc5)C4=O)n3)cc2)NC(=O)NC1=O 544913597 IFAGPLZUFHMSEL-ZHRRBRCNSA-N 435.415 2.451 0 40 IEAB C[C@](O)(Cn1ccccc1=O)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 580593234 HRLXZVFPUSVWER-VWLOTQADSA-N 431.492 2.370 0 40 IEAB CC(=O)NCCCOc1ccc(CN2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)cc1 585282201 ZJTXASZACGHIDP-ZEQRLZLVSA-N 446.519 2.107 0 40 IEAB NC(=O)CCNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1cccnc1 643584311 ZTNRMNMKEQNOEQ-UHFFFAOYSA-N 437.544 2.387 0 40 IEAB COc1cc(C(=O)NC(=S)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc(OC)c1OC 678681 OMMUTYSEGXQVHE-UHFFFAOYSA-N 429.454 2.065 0 40 IEAB CCCCn1c(N)c(N(CC(C)C)C(=O)CCCSc2nncs2)c(=O)[nH]c1=O 3357625 GUJFUFMNSQIRNB-UHFFFAOYSA-N 440.595 2.332 0 40 IEAB O=C(COCC(=O)Nc1ccc(OCCc2ccccc2)cc1)NCCN1CCCC1 4681961 URRUHJNASLKVOV-UHFFFAOYSA-N 425.529 2.475 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CSc2nnc(-c3ccco3)o2)C1=O 8705826 YWDSHVKUAYUSND-FQEVSTJZSA-N 441.469 2.396 0 40 IEAB CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCn2c1nc1ccccc12)C(=O)O 8792084 NWUYEHNODHAUEA-HOTGVXAUSA-N 447.561 2.303 0 40 IEAB biogenic CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccco1 8994984 AOVCKGOIOGCBLP-YJBOKZPZSA-N 441.484 2.209 0 40 IEAB C[C@]1(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)Cc2ccccc2C(=O)O1 9254199 XNWGFONYVGHPDH-OAQYLSRUSA-N 438.465 2.388 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(Cc2ccccc2)CC1)c1cc2ccccc2o1 12422816 CQGMYZNHUAHWQW-UHFFFAOYSA-N 427.526 2.310 0 40 IEAB Cc1nc(-c2ccc(CCNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)cc2)cs1 12621134 VOXYRSSVEFZMSG-UHFFFAOYSA-N 428.539 2.275 0 40 IEAB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C 12631171 OQZPYIQZJZSQSZ-HNNXBMFYSA-N 447.513 2.495 0 40 IEAB O=S(=O)(c1ccc(N2CCN(c3nc4ccccc4s3)CC2)nc1)N1CCOCC1 12782679 HFBXIPXWQCWWEH-UHFFFAOYSA-N 445.570 2.039 0 40 IEAB C[C@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2NC1=O 12946567 RXJNDINCAPPJQB-CYBMUJFWSA-N 449.529 2.405 0 40 IEAB COc1ccc(O)c(C(=O)c2cnn(C(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)c2)c1 13149842 GUHPJNKLBXVWOI-UHFFFAOYSA-N 430.420 2.173 0 40 IEAB CCCCN(C(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1c(N)n(CCC)c(=O)[nH]c1=O 14849498 GFGVRMZFUKKJSZ-MRXNPFEDSA-N 441.532 2.253 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc21 15359080 WYPNYMYLKVGDQQ-CQSZACIVSA-N 436.555 2.429 0 40 IEAB Cn1c(=O)c(=O)n(C)c2cc(N3CCCCC3)c(NS(=O)(=O)c3ccc(F)cc3)cc21 15734340 VWQCRJBBAPWILU-UHFFFAOYSA-N 446.504 2.167 0 40 IEAB CC(=O)N1CCC(C(=O)N2CCC(C(=O)c3cnn(-c4cccc(F)c4)c3N)CC2)CC1 19016713 ZELQLUUSQHWGPC-UHFFFAOYSA-N 441.507 2.273 0 40 IEAB Cc1noc(C)c1CC(=O)N1CCO[C@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19695586 XIKRTXNFXSLQDJ-VWLOTQADSA-N 448.523 2.386 0 40 IEAB CCn1c(CN(c2ccccc2)S(C)(=O)=O)nnc1SCC(=O)N1CCCCC1 19925830 GKPBHLXNYLILHV-UHFFFAOYSA-N 437.591 2.369 0 40 IEAB Cc1c(C)c2c(OCC(=O)NCCN3CCOCC3)cc3c(c2oc1=O)CCC(C)(C)O3 20756689 HCERAELVUYOBJP-UHFFFAOYSA-N 444.528 2.341 0 40 IEAB biogenic COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc3c(c2)OCO3)c1 22230123 IXJYAPMBNDSKBO-QGZVFWFLSA-N 432.498 2.202 0 40 IEAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)NCCCO)cc1 22232964 GIOOMBRQYNARDU-UHFFFAOYSA-N 426.922 2.184 0 40 IEAB CN1CCN(S(=O)(=O)c2ccc(SCc3noc(-c4ccsc4)n3)nc2)CC1 22894197 CVXFLBOGUPQYJG-UHFFFAOYSA-N 437.572 2.422 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCc2ccc(OC)c(OC)c2)n(C)c1 30865701 FKRAQYXOJHVJQS-UHFFFAOYSA-N 437.562 2.388 0 40 IEAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC[C@@H]1c1nnc2ccccn12 31505483 FLXCMPDZKYNUOQ-LJQANCHMSA-N 430.468 2.342 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(-c4cccc(OC)c4)cnc3c2)CC1 32102195 MAXFOSUZSPHYBP-UHFFFAOYSA-N 436.468 2.309 0 40 IEAB COC(=O)C[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(Br)cc1 32900190 FZIVAGDQRXPFQA-HNNXBMFYSA-N 430.258 2.491 0 40 IEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCC(C(=O)Nc3cccc(C)n3)CC2)C1 40154617 HBWCVDOFCQNNBB-IEBWSBKVSA-N 430.549 2.231 0 40 IEAB CN1CCN(CCCn2ccc3nc4ncnn4c(-c4cccc(Cl)c4)c3c2=O)CC1 40398105 PAMSEZAQYGBZDC-UHFFFAOYSA-N 437.935 2.397 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H](C)Oc1ccccc1C 44949875 FIZHPDASAAOHLA-MRXNPFEDSA-N 434.514 2.431 0 40 IEAB Cc1noc(C)c1COc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 57331964 OUCVDYKELKAXBM-UHFFFAOYSA-N 426.517 2.251 0 40 IEAB O=C(NCc1cccc(C(=O)N2CCCC2)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 71850234 GGZQDCSKMNBZHF-SFHVURJKSA-N 447.582 2.454 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)NC3CCCCC3)CC1)NC2=O 72327466 JTCRXZZNYQGLCR-CMJOXMDJSA-N 429.517 2.364 0 40 IEAB COc1ccc(CN2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccccc4C(=O)N3)C2)cc1OC 72334353 LPANZGPKZFMVDR-NLFFAJNJSA-N 437.540 2.339 0 40 IEAB CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(C(=O)Cc2ccsc2)CC3)C1=O 96144443 TUXMRLSSNKQKFF-QFIPXVFZSA-N 432.590 2.135 0 40 IEAB COc1ccc(CO[C@@H]2C3OC4O[C@@H]2C(O)[C@@H](O4)[C@@H]3OCc2ccc(OC)cc2)cc1 100716508 OOEMZLZGBFOQOC-JLSXGOJOSA-N 430.453 2.015 0 40 IEAB COc1cc(-c2cc(C(=O)N3[C@H]4CC[C@H]3CC(S(C)(=O)=O)C4)[nH]n2)cc(OC)c1OC 101117429 MZWAMFPERHMURV-KBPBESRZSA-N 449.529 2.283 0 40 IEAB COc1ccc(-c2noc(CNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)cc1 219980434 MPBDWAMNKJJRPL-UHFFFAOYSA-N 442.497 2.460 0 40 IEAB CCC(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)s1 224521358 XEZZODNCZGTFSI-UHFFFAOYSA-N 435.487 2.210 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1N1CCCC1=O 225002448 SIHQSOQCCVNZBP-UHFFFAOYSA-N 431.514 2.459 0 40 IEAB COc1ccc(OC[C@H](C)NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 225785878 SFYXWSUZFIRUGE-AWEZNQCLSA-N 448.497 2.103 0 40 IEAB C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@@H]1[C@H](C[C@H]3C)C1(C)C 263590229 VDJHFHXMUKFKET-YWAKHHBNSA-N 430.541 2.332 0 40 IEAB biogenic,in-vitro CCOC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 409390094 JHZFBQIPEAQTNV-LLVKDONJSA-N 437.345 2.462 0 40 IEAB N=C(N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)COc1c(F)c(F)cc(F)c1F 1772820556 KGRLRBFIDBTADP-ZDUSSCGKSA-N 432.418 2.129 0 40 IEAB Cc1nc(N2CCN(c3ncnc4c3ncn4C[C@H]3CCCO3)CC2)cc(C(F)(F)F)n1 1888913371 ASXVYUQVQYLCKR-CQSZACIVSA-N 448.453 2.449 0 40 IEAB COc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)CN(C)C)c(=O)n2C3)cc1 5413340 SFJPNLGKONOFRB-JKSUJKDBSA-N 439.516 2.008 0 40 IEAB biogenic,in-vitro CC(=O)c1ccc(N2CCN(C(=O)CCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 8608277 BMXOLGVJUKDIJX-UHFFFAOYSA-N 448.523 2.412 0 40 IEAB COC(=O)C1CCN(C(=O)CSc2nnc(Cc3cccc4ccccc34)n2N)CC1 8651520 AZWSUCMIVJUMGA-UHFFFAOYSA-N 439.541 2.240 0 40 IEAB CCCn1c(N)c(C(=O)CN[C@H](CC)c2ccc(Br)cc2)c(=O)n(C)c1=O 8937552 UPBVACIEVCLGJT-CQSZACIVSA-N 437.338 2.225 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N1CCCCC1 9043121 NADIQAMWQNCJAE-YVHKJVDXSA-N 443.544 2.354 0 40 IEAB CC(=O)c1cc2c(cc1NC(=O)CN1C(=O)N[C@](C)(c3cc(F)ccc3F)C1=O)OCO2 9414621 AVZYNVSGUGZPQC-OAQYLSRUSA-N 445.378 2.302 0 40 IEAB O=C(CSc1nnc(NC2CC2)s1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9462124 WWRGGMKEUKYVBT-HNNXBMFYSA-N 438.600 2.420 0 40 IEAB CCOC(=O)C1=C(COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)NC(=O)N[C@H]1C 9635256 WCPSUUJSGIOSNO-JTQLQIEISA-N 440.378 2.117 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)cc1 9828812 JBUSFNQARPWNKJ-UHFFFAOYSA-N 435.484 2.350 0 40 IEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(N2CCCC2=O)c(Cl)c1 11418804 YLSRQKMRIGFHLL-UHFFFAOYSA-N 426.860 2.499 0 40 IEAB O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)NCc1ccc(F)cc1 12311569 WVHULTDUFIYXNO-UHFFFAOYSA-N 440.518 2.148 0 40 IEAB COc1ccc(CN2CC3=C(C2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N3)cc1 12346594 AYGLAVYPBGRKFF-HXUWFJFHSA-N 439.468 2.371 0 40 IEAB CCn1c2ccccc2c2cc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)ccc21 12563401 JXGNFCPJUMYIOG-UHFFFAOYSA-N 430.468 2.200 0 40 IEAB COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CSc1ccc2c(c1)OCCO2 13005831 CKHFSVPKNUYYFO-UHFFFAOYSA-N 441.509 2.462 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CC1 13012850 BEKMHQDODYXKKZ-UHFFFAOYSA-N 441.557 2.488 0 40 IEAB CCOc1cc2c(cc1NC(=O)c1cc(S(=O)(=O)N3CCOCC3)cn1C)O[C@@H](C)C2 14681445 SXGQLPTYIKBYLZ-AWEZNQCLSA-N 449.529 2.020 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 17357997 HDKYRCORJCOIHY-UHFFFAOYSA-N 446.573 2.037 0 40 IEAB COc1ccc(OC)c([C@@H](C)NC(=O)COC(=O)c2ccccc2NS(C)(=O)=O)c1 19181020 RWNOACOMIAITEU-CYBMUJFWSA-N 436.486 2.110 0 40 IEAB CNc1cc([C@H]2CC(=O)N(C)C2)nc(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 19697348 KRKJLDHHFLRTTO-KRWDZBQOSA-N 443.573 2.341 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCCOc1ccc(Cl)cc1 24512280 KPMVFPCLNQIZKK-UHFFFAOYSA-N 437.949 2.148 0 40 IEAB COc1ccc(S(=O)(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)cc1Cl 35597321 DSUOJCWMQCBVPF-UHFFFAOYSA-N 436.925 2.332 0 40 IEAB O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)NC[C@H]1CCCO1 67318750 ZQUOFZGZZKQEHQ-OAHLLOKOSA-N 431.452 2.409 0 40 IEAB O=C(CCn1ncc2ccccc21)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338785 XGISVHKOMICHIT-QFIPXVFZSA-N 439.541 2.395 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCCCc2ccc(OC)c(OC)c2)Oc2ccccc21 218793243 GMQNYXREPZIAFD-NRFANRHFSA-N 448.541 2.370 0 40 IEAB CC1=C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C[C@H]1n1[nH]c(=O)n(Cc2ccccc2)c1=O 253592612 XYTLCKXGZKYPTP-SLFFLAALSA-N 430.464 2.083 0 40 IEAB Cc1cc(C)n(CCOc2ccc(CNC[C@@]3(O)CCCN(c4cnccn4)C3)cc2)n1 257238707 HMDWFPINJINIPB-DEOSSOPVSA-N 436.560 2.490 0 40 IEAB CN(CC1(O)CCN(c2cccc3nccn23)CC1)C(=O)c1cccc(OCCCN)c1 257265032 LWZHZOUQGNPYPC-UHFFFAOYSA-N 437.544 2.165 0 40 IEAB Cn1ccc(C(=O)N2C[C@@H](c3ccnn3C)[C@@]3(CCCN(Cc4ccccc4)C3=O)C2)n1 306131305 KAVZKRVMICSWNW-YADARESESA-N 432.528 2.202 0 40 IEAB O=C(c1c[nH]c2ccccc12)N1CC2(C1)[C@@H](COCc1ccccn1)CCS2(=O)=O 306132253 LCYQYAUAWXSYGL-MRXNPFEDSA-N 425.510 2.409 0 40 IEAB COc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1Br 2135732 DGPDTUIRCDQDRW-UHFFFAOYSA-N 444.332 2.232 0 40 IEAB COc1cc(OC)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1 2158839 IJQAXLCLPDDROA-KRWDZBQOSA-N 441.436 2.179 0 40 IEAB biogenic NC(=O)c1ccc(NC(=O)NCCCCCCNC(=O)Nc2ccc(C(N)=O)cc2)cc1 4015768 NRXYBLKOATVMKX-UHFFFAOYSA-N 440.504 2.388 0 40 IEAB Cc1cccc(N2CCN(C(=O)[C@H](CCC(N)=O)NC(=O)c3ccc(Cl)cc3)CC2)c1 8746104 JOSWSVQFIYJLDT-FQEVSTJZSA-N 442.947 2.361 0 40 IEAB COc1ccc2[nH]cc(CCN3C(=O)N[C@@H](CCC(=O)NCc4ccccn4)C3=O)c2c1 8765520 KWCQMNDBZUVBPP-FQEVSTJZSA-N 435.484 2.131 0 40 IEAB biogenic C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccccn2)CC1 8938361 RBQCMBBNCBHZNB-SFHVURJKSA-N 443.573 2.015 0 40 IEAB COc1ccc([C@H]2CCCN2CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1 8988354 ILXROTVLHYNIJF-AWVSAENJSA-N 444.532 2.373 0 40 IEAB C[C@H]1CCCc2sc3c(c21)-c1ncnn1-c1nnc(SCC(=O)N2CCOCC2)n1-3 9307885 BVTPHVHGSMOOGT-NSHDSACASA-N 443.558 2.281 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 9509271 OVYNKROWWCGHBI-UHFFFAOYSA-N 448.497 2.063 0 40 IEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)OCc1nc2scc(-c3ccco3)c2c(=O)[nH]1 9958076 AEQKXUWMPXHWNK-UHFFFAOYSA-N 442.453 2.152 0 40 IEAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2)C(=O)NC1CCCCCC1 10219806 FDEJWXOAJNIAEY-UHFFFAOYSA-N 434.493 2.217 0 40 IEAB COc1ccccc1N1CCN(C(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 10975706 VJOHMPOWCNPYEB-UHFFFAOYSA-N 444.484 2.227 0 40 IEAB CCN1CCN(c2ccc(Cl)cc2NC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 12543449 YHOXOOWZZKLCQH-HNNXBMFYSA-N 432.011 2.341 0 40 IEAB Cc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)N2CCOCC2)o1 12622950 VVUUQQMSYSPDBV-FQEVSTJZSA-N 447.557 2.176 0 40 IEAB O=C(CSc1nnnn1Cc1cccs1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 12677240 ZSPDXRXCDFNRQO-OAHLLOKOSA-N 449.583 2.095 0 40 IEAB COCCNC(=O)CN(C)CC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 12797332 NNDZQWLBQMGKSC-GOSISDBHSA-N 438.484 2.398 0 40 IEAB O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccnn1C1CCCCC1 12812595 VAWUKKOURWYHRM-UHFFFAOYSA-N 434.518 2.467 0 40 IEAB COc1cccc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1 13056255 XCOPKHUYXLQBNO-INIZCTEOSA-N 445.541 2.231 0 40 IEAB CC[C@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc3c2N=S=N3)CC1)C(=O)O 13625921 QWAQVSQFHMTKIR-NHYWBVRUSA-N 440.547 2.429 0 40 IEAB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 14271674 ZMDOVXBMCFIJNE-UHFFFAOYSA-N 440.525 2.253 0 40 IEAB CN1CCCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCN(Cc2ccccc2)CC4)CC1 19589192 RKKDFJTWCYRREI-UHFFFAOYSA-N 445.567 2.233 0 40 IEAB O=C(CCN1C(=O)CCNC1=O)N1CCO[C@H](c2ccc(Cc3ccccc3F)cn2)C1 19692264 GHSCYUSIKVVINF-FQEVSTJZSA-N 440.475 2.043 0 40 IEAB Cc1nc([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)ncc1C(=O)N1CCCCC1 19765714 VINWTWIPONUYGI-QGZVFWFLSA-N 432.550 2.061 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1N1CCCC1=O 19933079 SBHQCBVTPJDYLD-UHFFFAOYSA-N 429.542 2.329 0 40 IEAB CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 22228719 GGNKFISKKNTRIA-UHFFFAOYSA-N 445.541 2.086 0 40 IEAB COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(CCc4cccs4)CC3)C2=O)cc1 23375558 MJTUDUFQGGDEPA-LJQANCHMSA-N 427.526 2.027 0 40 IEAB O=C1CC2(CCCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 23730977 DTXMZXODHZZPQC-UHFFFAOYSA-N 445.994 2.375 0 40 IEAB NC(=O)c1ccc(N2C(=O)N=C(O)[C@@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1 25185389 DDMCZWSOIGUACF-VGSWGCGISA-N 436.493 2.373 0 40 IEAB CNS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)cc1 25258770 RZFKOVRYFPKDLZ-KRWDZBQOSA-N 425.457 2.266 0 40 IEAB Cc1cccc2c(=O)n(CCCC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)cnc12 32901200 NJIABCQINNXUJU-UHFFFAOYSA-N 448.523 2.274 0 40 IEAB O=S(=O)(NCc1ccnc(N2CCOCC2)c1)c1cc(Br)cnc1Cl 36397333 APNPGIWYIVPSBT-UHFFFAOYSA-N 447.742 2.208 0 40 IEAB Cc1csc(NC(=O)C2CCN([C@@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)n1 40149652 CFGLAEWNQIUNIF-LBPRGKRZSA-N 428.518 2.299 0 40 IEAB CC(C)(C)NC(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 49522756 CAQZNSKHRYOHPJ-UHFFFAOYSA-N 443.548 2.088 0 40 IEAB CCCCn1nnc(NC(=S)NC(=O)c2cccc(I)c2)n1 57316278 CSHSMDUFAKXFNY-UHFFFAOYSA-N 430.275 2.205 0 40 IEAB COc1ccc(CCC(=O)N2CCCC[C@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 72374595 BIDZMRGVDQFEFM-FQEVSTJZSA-N 436.512 2.327 0 40 IEAB Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 72393405 YOAUGZAXKHUNBU-UHFFFAOYSA-N 444.963 2.270 0 40 IEAB Cc1ccc(N2CCN(C(=O)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)c(C)c1 72404253 JBLVYYTWARPUDZ-LJQANCHMSA-N 430.574 2.439 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)CN1CCC(C(=O)Nc3cccnc3)CC1)CC2 83925374 BVTBCFNWVVJVCQ-UHFFFAOYSA-N 438.528 2.334 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4cccc(Cl)c4)[C@@H]3C2=O)cc1OC 101170080 PDHHBNXFPFCOHX-ROUUACIJSA-N 443.847 2.289 0 40 IEAB CC(C)NC(=O)c1ccccc1NC(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219435719 LLMFICPHELPLIY-UHFFFAOYSA-N 429.498 2.388 0 40 IEAB CCN(Cc1ccc(C(=O)NCCCN2CCOCC2)cc1)S(=O)(=O)c1ccccc1 224451354 OERPCVSHKGPLAE-UHFFFAOYSA-N 445.585 2.350 0 40 IEAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238825927 DTAUETMWBPFTPR-LBPRGKRZSA-N 447.344 2.407 0 40 IEAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1Nc1ccccc1)[C@H]1C(=O)N(Nc2ccccc2)C(=O)[C@H]31 245265331 GAUSSJFFZJVPNW-RKGSWTEASA-N 428.448 2.059 0 40 IEAB CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2O[C@H]3c4ccc(C)cc4OC(C)(C)[C@@H]3C[C@H]2C1 257330033 XMMVBWYJXHYCKR-QPFLDQEYSA-N 442.556 2.442 0 40 IEAB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCC[C@H](C)C1 260813037 OVQGIAGMOYQGLH-FXAWDEMLSA-N 425.595 2.478 0 40 IEAB O=C(N1CC2(C1)[C@H](COc1ncccn1)CCS2(=O)=O)C12CC3CC(CC(C3)C1)C2 306127862 GJJHQZBWQYAOEL-QQABJKMWSA-N 431.558 2.088 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 408622942 XAAUYHBHGQJWOI-UHFFFAOYSA-N 447.557 2.474 0 40 IEAB CCNC(=O)COc1ccc(NS(=O)(=O)c2cc(C(=O)OCC)ccc2OC)cc1 506705352 FRZMOJHIMIMAKX-UHFFFAOYSA-N 436.486 2.188 0 40 IEAB COc1ccc(CNC(=O)C[C@@H]2C[C@H]3O[C@H](CNCc4ccccc4C)[C@@H](O)[C@H]3O2)cc1 604381188 FKNYXBJJWNIHCD-YQSOIZMPSA-N 440.540 2.086 0 40 IEAB biogenic,in-vitro O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCN1CCOCC1 604405132 KSZKNYXUTKEMIY-HSZRJFAPSA-N 448.523 2.030 0 40 IEAB biogenic COc1ccccc1C(=O)N1C[C@@H]2OCCS(=O)(=O)N(Cc3cc(C)cc(F)c3)[C@@H]2C1 1534645882 PHECDXQGVYMCHI-CTNGQTDRSA-N 448.516 2.198 0 40 IEAB CN(C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1)S(=O)(=O)Cc1ccc(F)cc1 1565522984 DOFLQAIZMKPXOG-UHFFFAOYSA-N 432.525 2.211 0 40 IEAB CC[C@@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1cccc(F)c1 6631791 QMSLYRYVLWLSQQ-AWEZNQCLSA-N 433.509 2.448 0 40 IEAB COc1ccc(OCC(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CS(=O)(=O)C3)cc1 8910342 ABXYWWBVMJJCFG-UHFFFAOYSA-N 443.481 2.335 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)c1cc2c(s1)CCC2 9069764 LVQOOACBQZZZDG-UHFFFAOYSA-N 438.527 2.291 0 40 IEAB CC(C)CCNC(=O)Cn1c(=O)n(CC(=O)Nc2ccc(F)cc2)c(=O)c2sccc21 9410224 NHLQBEXLMNFKPN-UHFFFAOYSA-N 446.504 2.165 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)N3C[C@H](C)O[C@@H](C)C3)[C@H]2C(C)C)cc1 9426219 ISTXUHJULFKJCO-TXPKVOOTSA-N 425.551 2.213 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccccc3OC)C2)c1 10059484 AQKICULTAYYJRL-QGZVFWFLSA-N 448.541 2.430 0 40 IEAB COc1ccc(CN2CC3=C(C2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)NC(=O)N3)cc1 12346600 AYGLAVYPBGRKFF-FQEVSTJZSA-N 439.468 2.371 0 40 IEAB COC(=O)c1sccc1NC(=O)CN1CCCN(Cc2ccccc2F)S1(=O)=O 12415334 LYJVIGCEIQMNJY-UHFFFAOYSA-N 441.506 2.065 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)C3=Cc4ccccc4OC3)CC2)cc1OC 13002637 GULNCVOUBBTDCP-UHFFFAOYSA-N 444.509 2.013 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 13670828 PQYOFKGHKMAYDC-UHFFFAOYSA-N 428.963 2.485 0 40 IEAB C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(C(N)=O)cc1 14245039 RNRWQPJHQHXYLM-AWEZNQCLSA-N 440.452 2.480 0 40 IEAB Cc1ccc2c(c1)C(=O)N[C@@]1(CCC(=O)N(CC(=O)NCc3ccccc3F)CC1)O2 19218842 QGUZJGRBTAZAHC-QHCPKHFHSA-N 425.460 2.282 0 40 IEAB CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 19590940 GEQDSJLDFSIMHE-OAQYLSRUSA-N 440.463 2.309 0 40 IEAB CNC(=O)c1sc2ncccc2c1[C@H]1CN(C(=O)Cn2nnc3ccccc32)CCO1 19702962 GRTHGHAWNGOEFQ-MRXNPFEDSA-N 436.497 2.001 0 40 IEAB O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(Cc2ccccc2)CC1 19867504 BLDQNGBMAWJHKB-UHFFFAOYSA-N 433.599 2.493 0 40 IEAB CCOc1ccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1 19913218 KJNDLPSXLZUYTJ-UHFFFAOYSA-N 431.558 2.196 0 40 IEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCc1nnc4n(C)c(=O)c5ccccc5n14)(C3)C2 22038734 MITOIUDJLLFPTM-NYRSABAFSA-N 449.511 2.100 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2cc(C)ccc2OC)cc1 22229232 DRYNFCRDRRGSDA-UHFFFAOYSA-N 447.557 2.332 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N(CC)CCC(=O)Nc2ccc(C(N)=O)cc2)cc1 24453719 CRJFKJNRIDHUJR-UHFFFAOYSA-N 447.513 2.002 0 40 IEAB C[C@@H](NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1ccccc1 25100107 URVHTTRPZWYIBC-CRAIPNDOSA-N 436.464 2.496 0 40 IEAB Cc1ccc([C@H](CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)N2CCOCC2)o1 25399118 MKPOELVIFYYKRS-IBGZPJMESA-N 440.475 2.385 0 40 IEAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 27972271 XLFUQUXXUDJMSU-UHFFFAOYSA-N 443.525 2.196 0 40 IEAB COc1cccc(CCN2CC(=O)N(c3cccc(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1 63390371 SQIOGQBSNAYZOK-PMACEKPBSA-N 434.945 2.406 0 40 IEAB CC(C)OC(=O)[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@@H]1c1ccc(F)cc1 72342756 NXENEYRGDWUJLX-BOCKYXSRSA-N 445.491 2.387 0 40 IEAB CN1CCN(C(=O)COCCN2CCCC2=O)[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351393 LMDAXVGUQCLHEZ-HSZRJFAPSA-N 449.551 2.204 0 40 IEAB COc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)ccc1OCC(N)=O 72392983 LMSRNCGXBVDDCT-GOSISDBHSA-N 449.511 2.084 0 40 IEAB CN1CCN(C[C@@H](O)CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 95406734 DAGSOGKRZSKFGE-QHCPKHFHSA-N 447.583 2.279 0 40 IEAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(Cl)n(C)c1=O)c1ccccc1 96011630 ZKTMUZQBJIMIFI-CQSZACIVSA-N 440.887 2.330 0 40 IEAB O=C(NCc1ccc(OC(F)(F)F)cc1)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96124189 VIMUKIWQWXXXEB-UHFFFAOYSA-N 447.421 2.489 0 40 IEAB COc1ccccc1[C@H](C)N(C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 97674829 XQGIMGAJTJMOLQ-INIZCTEOSA-N 436.512 2.062 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3C[C@H](O)C[C@H]3c3ccc(F)cc3)C2=O)cc1 108155669 RYWZYJKJTCLJTG-MSYCTHLASA-N 425.460 2.236 0 40 IEAB CCCCNC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1 225514446 ZWQLLFQJGUNXQX-UHFFFAOYSA-N 433.530 2.484 0 40 IEAB Cc1ccc(CN2CC[C@@]3(Cc4nn(Cc5ccc(F)cc5)c(=O)c(=O)n4C3)C2)s1 306130510 JIRNUIOUBWMRII-JOCHJYFZSA-N 426.517 2.411 0 40 IEAB CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccco3)c2=O)=N[C@@H]1c1ccc2c(c1)OCO2 408731833 NFQLZBFZIAOSTG-RPXHZFJKSA-N 438.461 2.229 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccc(I)cc1 409028712 QSEIDQDCEWYANY-UHFFFAOYSA-N 444.294 2.374 0 40 IEAB O=C1NCCCCC2(CCN([C@@H]3CCCC[C@H]3O)CC2)C(=O)NCCOc2ccccc21 643568941 VNKYMDADDHEYQS-NHCUHLMSSA-N 443.588 2.481 0 40 IEAB O=C1NCCNC(=O)[C@@]2(CC=CCOc3ccccc31)CCCN(C(=O)c1ccncc1)C2 2037818651 DZCGJLIUSYBNJP-VWLOTQADSA-N 448.523 2.189 0 40 IEAB COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1 2723497 GOZMOXJDBDJAKT-UHFFFAOYSA-N 444.469 2.018 0 40 IEAB COC(=O)c1ccc([C@H]2[C@H](C(=O)OC(C)C)C(=O)C[C@](C)(O)[C@H]2C(=O)OC(C)C)cc1 4112402 CZCYWGTVNNUEQB-LVBDUCALSA-N 434.485 2.416 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 9518852 ZKTVXKFUOXPALC-UHFFFAOYSA-N 433.464 2.492 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1F 9650550 FJGUABGGBWDNGU-UHFFFAOYSA-N 437.474 2.496 0 40 IEAB O=C1NC(=O)c2cc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)ccc21 12466486 DQBOZFDVOOBMIA-LBPRGKRZSA-N 439.902 2.077 0 40 IEAB C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N[C@H]2CCCc3ccccc32)C1=O 16695004 IURCCSCEFQMODC-MHECFPHRSA-N 435.480 2.462 0 40 IEAB Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H](C)CN3CCOCC3)C1)N2 19127240 YTRXWUABUZDPQG-LEUOFYLZSA-N 425.524 2.389 0 40 IEAB O=C(c1cccnc1)N1CCO[C@@H](c2c(C(=O)N3CCOCC3)sc3ncccc23)C1 19696322 VBOGGZFZSVUDII-QGZVFWFLSA-N 438.509 2.377 0 40 IEAB Cc1nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nc2c1CCCN2Cc1ccccn1 19752617 VDXBZIKKSXSNER-QGZVFWFLSA-N 430.578 2.119 0 40 IEAB CC(=O)Nc1cccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)c1 20804108 DNYZOFRRAQGYEY-UHFFFAOYSA-N 443.935 2.493 0 40 IEAB CCn1nnc2cc(C(=O)OCC(=O)c3ccc4c(c3)CCCN4S(C)(=O)=O)ccc21 21340816 NYNNIZOSKVQQON-UHFFFAOYSA-N 442.497 2.203 0 40 IEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 21962698 KQJBQMJZSCTQCG-UHFFFAOYSA-N 434.468 2.478 0 40 IEAB O=C(c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCN(Cc2cccs2)CC1 22002297 WUHFDUWPLCNOOZ-GOSISDBHSA-N 449.598 2.163 0 40 IEAB COc1ccc(OC)c(N(CC(=O)N[C@@H](C)COc2ccc(C)cc2)S(C)(=O)=O)c1 22333950 UFGVBAIHPBRVGD-INIZCTEOSA-N 436.530 2.362 0 40 IEAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 25378618 DPYANTLAOFTVRG-GOEBONIOSA-N 431.352 2.288 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)C2)s1 31044081 GCQSTLYGULMLMK-HZPDHXFCSA-N 436.555 2.413 0 40 IEAB Cc1ccc(OC(F)F)c(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c1 31709223 OMXBYEZBWRACRG-UHFFFAOYSA-N 426.441 2.426 0 40 IEAB O=C(O)/C=C/C(=O)Nc1ccc2c([C@H](C(=O)O)N3CCN(c4ccccn4)CC3)c[nH]c2c1 31818155 ZIGSKPHCQQLLMF-XYXUZSOXSA-N 449.467 2.090 0 40 IEAB O=C(C[C@@H]1C(=O)N(CCCN2CCOCC2)c2nc3ccccc3n21)NCc1ccccc1 39964050 QRVPWRSYKWHEMD-JOCHJYFZSA-N 447.539 2.353 0 40 IEAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)[C@H](Cc1ccccc1)NC(N)=O 40069454 OAKXLAIRFMSBNZ-KRWDZBQOSA-N 436.434 2.217 0 40 IEAB COc1ccc(C[C@@]2(C)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1OC 40160324 OKZGRMDNKNBBPI-HSZRJFAPSA-N 443.475 2.055 0 40 IEAB COc1cccc(Cn2nnc3c(=O)n(CC(=O)NCc4ccc(Cl)cc4)cnc32)c1 40478155 YQTSMYPNZWHKSK-UHFFFAOYSA-N 438.875 2.015 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCC[C@@H]1CCCCN1S(=O)(=O)c1cccs1 42381721 NNYZZENUWJBHGZ-AWEZNQCLSA-N 433.577 2.265 0 40 IEAB COCCOc1ccc(NC(=O)N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cn1 57508544 YWMDJBSAVGIWCX-UHFFFAOYSA-N 448.545 2.344 0 40 IEAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)no1 58311463 XEFLXCGJRKPZTI-CQSZACIVSA-N 446.529 2.170 0 40 IEAB O=C(NCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C1CCCC1 60334853 OANAWRFJRLFNKO-KRWDZBQOSA-N 436.350 2.476 0 40 IEAB Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCCN3C(=O)c3cccnc3)nc2n(C)c1=O 72380140 JBZOKJKZZAELBW-HNNXBMFYSA-N 447.417 2.413 0 40 IEAB Cc1cc(C)nc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)n1 89643260 QNSGKGLSGUJUDM-UHFFFAOYSA-N 434.587 2.335 0 40 IEAB Cn1cc(NS(=O)(=O)c2cc3[nH]c(=O)[nH]c3cc2Br)c(C(F)(F)F)n1 95939642 VMDNTSRSINHAON-UHFFFAOYSA-N 440.201 2.172 0 40 IEAB COc1cccc(C(=O)N2CCC3(CC2)O[C@H](C(=O)NCC(C)C)Cn2ccnc23)c1 96263058 RQNSJBBSSJNDCV-IBGZPJMESA-N 426.517 2.194 0 40 IEAB Cn1cc(S(=O)(=O)NC[C@H]2CC[C@H](c3cc(C(N)=O)c4ccccc4n3)CC2)cn1 100658034 OEWLCXNJJIESRM-GASCZTMLSA-N 427.530 2.320 0 40 IEAB CCOC(=O)c1ccc(N2C(=O)C[C@H](Sc3nnc4nc(C)cc(C)n34)C2=O)cc1 102242823 AQMJRAVKRCQDFP-HNNXBMFYSA-N 425.470 2.342 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2C)cc1 224209152 ZLBKKCZMINBQGW-UHFFFAOYSA-N 429.542 2.466 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc3c(c2)sc(=O)n3C)Oc2ccccc21 225045964 UHXGAYZNQNRATR-INIZCTEOSA-N 433.511 2.156 0 40 IEAB CS(=O)(=O)N(CC(=O)NC[C@@H]1COc2ccccc2O1)c1ccc(C(F)(F)F)cc1 225273506 FRZOEYGZZGJFOA-OAHLLOKOSA-N 444.431 2.428 0 40 IEAB Cc1nc(C)n(CC(=O)N2CCO[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)n1 257270192 MTCUFKSAEGPCPY-FQEVSTJZSA-N 444.923 2.493 0 40 IEAB CC(C)Cc1cc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c(O)nc(O)nc2O3)nc(O)n1 257344588 ZXXUBSAKWLEYDP-ASSNKEHSSA-N 429.477 2.191 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1 408554478 SERJGTVTQJQZGH-NSHDSACASA-N 426.878 2.441 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1c[nH]cc(Br)c1=O 535643248 KYCBUUDJZAUOBW-HNNXBMFYSA-N 435.253 2.444 0 40 IEAB CN1c2ccc(F)cc2N(CCNC(=O)c2cc(-c3ccc(F)cc3)nn2C)S1(=O)=O 575613565 TWEUHNJKKSKQJN-UHFFFAOYSA-N 447.467 2.296 0 40 IEAB Cn1c(C(F)(F)F)nn(C2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)c1=O 575614836 KADYXXKKSQKUNA-ZDUSSCGKSA-N 447.458 2.164 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 585305236 VBMVLEFESOYRJS-CQSZACIVSA-N 429.420 2.444 0 40 IEAB CCc1cc(C(=O)N2CCO[C@@]3(CCCCc4ccccc4OCCNC3=O)C2)no1 643556567 NAEHZNSLRSYIDN-QHCPKHFHSA-N 427.501 2.370 0 40 IEAB O=C1NCCc2ccc(CNc3nccnc3NCc3ccc4c(c3)C(=O)NCC4)cc21 680960989 GPWDZCQPARBVOK-UHFFFAOYSA-N 428.496 2.273 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)N(C)C 3344777 WGYYMJYMPHFQOW-HOTGVXAUSA-N 443.566 2.238 0 40 IEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 3426134 YUUDIJFGBNFJAV-GOSISDBHSA-N 449.507 2.385 0 40 IEAB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cn1)NCc1ccc2c(c1)OCO2 9111811 IAZCIODYOXPGGQ-UHFFFAOYSA-N 435.527 2.003 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)/C=C/c1ccccc1 9612387 VZUOJCDNZHVDMT-NTEUORMPSA-N 438.527 2.129 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C 9643363 CHZBPAMLXVDAEF-CYBMUJFWSA-N 436.486 2.097 0 40 IEAB Nc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2nc3c(cc12)CCCC3 9804782 RNCVWHSSMMYWAS-UHFFFAOYSA-N 430.555 2.377 0 40 IEAB CN(C(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 10587656 RBKVVLLNWZCLFT-KRWDZBQOSA-N 435.473 2.207 0 40 IEAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc2cccnc12 11858368 XESFBTDQLUGQEG-UHFFFAOYSA-N 447.494 2.111 0 40 IEAB C[C@H](Sc1nnc(N2CCOCC2)n1-c1cccc(F)c1)C(=O)NC[C@H]1CCCO1 12554120 AKQVKENAUNRLCD-WMLDXEAASA-N 435.525 2.019 0 40 IEAB CN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 12794863 YVYJOLODKAXTKI-FUHWJXTLSA-N 434.489 2.277 0 40 IEAB CCC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 13039941 METYCDWHCWJLQT-AWEZNQCLSA-N 437.484 2.196 0 40 IEAB O=C(CCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)N[C@H]1CCS(=O)(=O)C1 13574811 YPBORMQLVTVVNA-CJAAZZPWSA-N 428.919 2.070 0 40 IEAB COc1ccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 13629484 PEMPUSWKLVYUEH-DLBZAZTESA-N 445.541 2.239 0 40 IEAB CC(=O)c1cccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)c1 14155593 BAWCIPKADZDPMG-UHFFFAOYSA-N 431.514 2.432 0 40 IEAB CC(C)c1cc(C(=O)N[C@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)on1 19452999 ILTXPFRMIZXUMU-LJQANCHMSA-N 437.500 2.432 0 40 IEAB CNc1cc([C@@H]2CC(=O)N(C)C2)nc(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 19697349 KRKJLDHHFLRTTO-QGZVFWFLSA-N 443.573 2.341 0 40 IEAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(C(=O)Cn2cccnc2=O)CCO1 19697906 ILWHVSGXCXSGOJ-INIZCTEOSA-N 440.525 2.196 0 40 IEAB CC(C)OCCCNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 20897947 RVJISXDXSRXUPX-UHFFFAOYSA-N 428.551 2.228 0 40 IEAB CCN(c1cc(OC)c(OC)cc1C(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O 22252194 XHLSPKCNDAYNFU-UHFFFAOYSA-N 436.486 2.148 0 40 IEAB O=C(CSc1nnnn1C1CC1)N1CCN(Cc2ccc(Br)s2)CC1 23805158 DNSLVQVPPLVTND-UHFFFAOYSA-N 443.396 2.269 0 40 IEAB CCOC(=O)N1CCC(NC(=O)CSc2nnc(C)n2-c2ccc(OC)cc2)CC1 33028318 TUKUWLBOPCGPLX-UHFFFAOYSA-N 433.534 2.414 0 40 IEAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1sccc1S(=O)(=O)N1CCCCC1 40145643 CAMQTKMGDYFOIX-OAHLLOKOSA-N 435.575 2.112 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(-n4cccn4)cc3)CC2)s1 46812944 AMFYPZOEJNAQRA-UHFFFAOYSA-N 430.555 2.318 0 40 IEAB CN(Cc1nnc2n1CCCCC2)C(=O)CNC(=O)c1ccc(Br)s1 48301192 KAQXMGLVIRGCJB-UHFFFAOYSA-N 426.340 2.217 0 40 IEAB CCOC(=O)c1cnn(-c2ccc(NC(=O)NCC(=O)N(C)C)cc2)c1C(F)(F)F 48356339 OVSNYPPMURGNDQ-UHFFFAOYSA-N 427.383 2.278 0 40 IEAB CCN(Cc1ccccc1)C(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O 49409160 MEFSBCNNJFEWKH-UHFFFAOYSA-N 431.558 2.318 0 40 IEAB Cc1cc(C)n(C(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cn3)cn2)n1 49420838 HWWINXCBDYFGPE-AWEZNQCLSA-N 428.518 2.190 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)cc1 58266573 VSHJNJSIUNZWGC-UHFFFAOYSA-N 431.624 2.210 0 40 IEAB COc1ccc(N2C[C@H](C(=O)NCCCC3(C4OCCO4)CCOCC3)CC2=O)cc1 72297912 ODLSNAGBWGHZDB-QGZVFWFLSA-N 432.517 2.114 0 40 IEAB CCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)[C@H](COC)Cc1ccccc1 72309415 GAYVGKFNXAUBIK-PMACEKPBSA-N 448.589 2.069 0 40 IEAB COC(=O)/C=C/[C@@H](O)[C@@H](O)CC/C(C)=C/[C@@H]1C=C(C)[C@@H](C)[C@H]2[C@H](CC(C)C)NC(=O)[C@@]21O 72320202 YUXUTEAAGHFKKH-OKRKBIJTSA-N 449.588 2.268 0 40 IEAB biogenic,in-vitro O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)N1CCN(Cc2nc3ccccc3s2)CC1 95947944 WLQAEFZINLYZBB-IRXDYDNUSA-N 438.553 2.282 0 40 IEAB O=C([C@@H]1CCCO1)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 96263547 CUXPIDSFMJILKL-IBGZPJMESA-N 434.558 2.268 0 40 IEAB Cn1cccc1C(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 96263958 KLVUIUVKFYJPSI-HKUYNNGSSA-N 429.542 2.492 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 222457931 FLLTZSDNKVUDCN-SFHVURJKSA-N 431.558 2.233 0 40 IEAB CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 223020857 VTMYGBCMJFGSGA-UHFFFAOYSA-N 437.543 2.024 0 40 IEAB O=C(NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N2CCOCC2)CC1)c1n[nH]c2c1CCC2 257312111 UMONYMPTWBIOJQ-TZBSWOFLSA-N 438.572 2.202 0 40 IEAB Cc1nn(C)cc1C(=O)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257342486 ZOWHDDZIRNMALO-LSQMVHIFSA-N 440.588 2.157 0 40 IEAB C[C@@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O 408621184 OOXOAJKTFXIHLH-FUHWJXTLSA-N 445.541 2.389 0 40 IEAB COC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 408660631 BLOPUWWIBFIHNK-UHFFFAOYSA-N 441.440 2.332 0 40 IEAB CCOC(=O)COc1ccccc1/C=C1/NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 409096901 LLRCJRHQZZVBEN-LDADJPATSA-N 437.452 2.468 0 40 IEAB Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1 409412350 UVWCJJHDNUIQOM-QGZVFWFLSA-N 445.541 2.261 0 40 IEAB C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1nc2ccccc2s1 1146987510 VSAXUAOYLHLFFM-MLGOLLRUSA-N 428.489 2.216 0 40 IEAB O=C1COc2ccccc2CC=CCC2(CCN(S(=O)(=O)N3CCCC3)CC2)CN1 2037818709 QUWICEOADGCAKR-UHFFFAOYSA-N 433.574 2.107 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@H]4C3)ncn2)n1 2086896635 GTTXQSRXCAHLQK-CALCHBBNSA-N 442.520 2.175 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@H]1c1ccccc1OC 2249777 SAFPDBRESLLUKB-LJQANCHMSA-N 433.464 2.476 0 40 IEAB COc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[nH]2)c1 2712448 WYVGLTMIAMEJEI-UHFFFAOYSA-N 431.499 2.405 0 40 IEAB COC(=O)[C@@](NC(=O)C(F)(F)F)(c1c(C)n(C)n(-c2ccccc2)c1=O)C(F)(F)F 3103064 IOCQQAYXCBYNIS-HNNXBMFYSA-N 439.312 2.094 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)CC1 8816294 VPRAQOKGVXTQMK-UHFFFAOYSA-N 437.562 2.311 0 40 IEAB O=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(O)=Nc2ccccc21 9059082 VXFKEANCXNFNSU-HKUYNNGSSA-N 436.468 2.491 0 40 IEAB biogenic COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc4c(c32)CCCC4)c(OC)c1 9410504 PLTKMLHPBUVGDE-UHFFFAOYSA-N 429.498 2.296 0 40 IEAB COc1ccc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc1OC 9526755 QBSCJJGPUMNSCL-UHFFFAOYSA-N 436.512 2.362 0 40 IEAB Cc1cc(OCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1Cl 9728392 CCUQRMRMVREEJS-UHFFFAOYSA-N 440.905 2.459 0 40 IEAB CN(C)CCNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 10111523 BXYIUVWCUARSJN-UHFFFAOYSA-N 440.363 2.322 0 40 IEAB COCCn1cnc2c1c(=O)n(CC(=O)Nc1c(C)cc(C)cc1C)c(=O)n2CC(C)C 10579604 XMSUGDVQVSRTBR-UHFFFAOYSA-N 441.532 2.226 0 40 IEAB COc1cc(NC(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)cc(OC)c1OC 12005995 CDDYQVMYQQJEPA-GFCCVEGCSA-N 434.470 2.277 0 40 IEAB C[C@@H](Cc1cccs1)NC(=O)CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2 12086637 GICJWAIJAMNLJC-HJPURHCSSA-N 441.553 2.369 0 40 IEAB COc1cc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc(OC)c1OC 12507748 IPKYDCIGLZAXTC-LJQANCHMSA-N 425.445 2.320 0 40 IEAB CN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1N1CCCCC1 12549155 DJNKIHIWFWOEAG-UHFFFAOYSA-N 430.574 2.073 0 40 IEAB CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4cccn4)nn3)CC2)cc1 13009214 DKEPGUNVNFDUPA-UHFFFAOYSA-N 442.545 2.352 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@@H](C(=O)O)C2)c1 13171263 DWTJCYJLXLIWAN-GFCCVEGCSA-N 447.351 2.416 0 40 IEAB CN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14198784 XPKNSAYODBOXPW-UHFFFAOYSA-N 432.402 2.391 0 40 IEAB CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)CN21 15708649 FKSZDXDYAWWURP-KSZLIROESA-N 435.956 2.051 0 40 IEAB biogenic,in-vitro CCCn1nnnc1NC(=S)NC(=O)/C=C/c1cc(Br)ccc1OC 17094284 IJEAGOOTBJQGEW-QPJJXVBHSA-N 425.312 2.381 0 40 IEAB O=C(c1ccco1)N1CCN([C@@H](c2ccccc2F)c2nnnn2C[C@H]2CCCO2)CC1 19347847 HQHGFIXEFFYWIC-UZLBHIALSA-N 440.479 2.132 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N4CCC(C)CC4)CC3)c(=O)c2c1C 19561437 VSQJPXCBHIQJIM-UHFFFAOYSA-N 432.590 2.160 0 40 IEAB Cc1nc(C)n(CC(=O)N2CCO[C@@H](c3c(C(=O)NC(C)C)sc4ncccc34)C2)n1 19703118 ZVVUGGZCLIMRHU-MRXNPFEDSA-N 442.545 2.243 0 40 IEAB Cn1c(=O)c2ccc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)nc2n(C)c1=O 19743479 FZQHTDRGHYARQH-HNNXBMFYSA-N 431.496 2.062 0 40 IEAB CC(C)(C)C(=O)NCc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)s1 23273327 ZMGZXZHBQRBGHU-GJZGRUSLSA-N 448.541 2.312 0 40 IEAB Cn1ccnc1[C@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccc(F)cc1 28107370 YJNCSHXNUBLHKP-HXUWFJFHSA-N 434.479 2.119 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cccc2c1 32905392 IIFDBPRFMKFAGF-UHFFFAOYSA-N 445.566 2.380 0 40 IEAB O=C1CCC(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)=NN1c1ccccc1 32983141 PTJFAHKHOZHEDT-LJQANCHMSA-N 425.510 2.385 0 40 IEAB NC(=O)C1CCN(C(=O)c2cc(Br)ccc2I)CC1 33002151 AVHAKEOCTSXFDL-UHFFFAOYSA-N 437.075 2.391 0 40 IEAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)n1 36358446 VEJCPWKJDGCHBU-MRXNPFEDSA-N 428.514 2.166 0 40 IEAB O=C(Cc1csc(-c2ccccn2)n1)NCCS(=O)(=O)N1CCc2ccccc21 48236772 JTSGDEGDDCEGFL-UHFFFAOYSA-N 428.539 2.256 0 40 IEAB CN(C(=O)Cn1c(=O)n(C)c(=O)c2sc(N3CCCC3)nc21)c1cccc(Cl)c1 57520719 HOEQDTQGAJNVTA-UHFFFAOYSA-N 433.921 2.073 0 40 IEAB CC(C)(O)CN1CCN(c2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)CC1 58267730 FQBFLHUMXAQEPN-UHFFFAOYSA-N 431.846 2.193 0 40 IEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCCc1cc(F)cc3c1OCOC3)C2=O 58394112 BBOCSSLTCWSUSM-FATZIPQQSA-N 447.507 2.488 0 40 IEAB CCc1nnc(O)c(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1CC 83817615 XJTBSCFVADGTSZ-UHFFFAOYSA-N 431.924 2.039 0 40 IEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(CN2CCCC2=O)c1 84374445 ZLUUZCNLJJWZMH-UHFFFAOYSA-N 427.505 2.185 0 40 IEAB C[C@H](C(=O)NCc1ccccc1F)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 89478918 RYKZSSLBJSLRGU-QGZVFWFLSA-N 428.508 2.238 0 40 IEAB CC(C)CCC(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CCN(C)C)[C@H]2CC1 96145912 QCNWLHWDBBXHLX-OALUTQOASA-N 437.606 2.427 0 40 IEAB COC(=O)Cn1/c(=N/C(=O)c2sc(C)nc2C)sc2cc(S(C)(=O)=O)ccc21 100877931 NBOLWNRWCRYETO-ZPHPHTNESA-N 439.540 2.094 0 40 IEAB CCOc1ccc(-c2noc(CNC(=O)CN(C)S(=O)(=O)c3ccccc3)n2)cc1 225809965 CSFLXYNVCGQIFM-UHFFFAOYSA-N 430.486 2.072 0 40 IEAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)C2)on1 253600544 SBOSVFAJZBHCFC-BRTDJILXSA-N 449.511 2.177 0 40 IEAB CN(C[C@@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)CC1(CC(=O)O)CCCC1 257223053 DVSAHJIUXRUQRD-QHCPKHFHSA-N 426.517 2.455 0 40 IEAB CCn1cc(CN2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@H]3C2)cn1 306141974 WLSPFYIXCVGNEJ-PMACEKPBSA-N 439.541 2.134 0 40 IEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 408613075 ZTNOSZCHZIPJEH-MBNRZODZSA-N 443.569 2.220 0 40 IEAB C[C@H]1Cc2cc(-c3nc(-c4cnc(NCC(F)F)cn4)no3)ccc2N1S(C)(=O)=O 564454019 MCQBGZCLZVKMIP-JTQLQIEISA-N 436.444 2.581 0 40 IEAB O=C(Cc1ccccn1)N1CCO[C@]2(C1)C(=O)N(CC1CCOCC1)C[C@@H]2c1ccccc1 585106951 LVJCIGDAXAUHOC-BVAGGSTKSA-N 449.551 2.274 0 40 IEAB Cc1ccc(-c2ccc(C[C@@H]3C(=O)NCCN3C(=O)COCCN3CCCC3=O)cc2)cc1 585168997 IKUPHFFZXHMECS-HSZRJFAPSA-N 449.551 2.171 0 40 IEAB CC(=O)NCCCOc1ccc(CN2CCOC[C@](O)(COc3ccc(F)cc3)C2)cc1 585280235 KFSFLSXRGFRDLY-DEOSSOPVSA-N 446.519 2.373 0 40 IEAB O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1775995061 VSIDAPBRBQOKDU-IBGZPJMESA-N 442.560 2.000 0 40 IEAB O=C(NCc1ccon1)[C@@H]1C[C@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226496 SHTCMMFYXIKYAB-PKOBYXMFSA-N 425.407 2.370 0 40 IEAB Cc1cc(NC(=O)CSc2nnc3n(CC(=O)N4CCCC4)c4ccccc4n23)no1 1325769 SJIIKOIJEIMBGP-UHFFFAOYSA-N 439.501 2.334 0 40 IEAB CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1 1363881 LNCPRLKELKBIKL-KRWDZBQOSA-N 440.529 2.264 0 40 IEAB COc1cccc(NC(=O)COC(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 2654209 SOGNNENMWYGYDT-UHFFFAOYSA-N 445.497 2.245 0 40 IEAB COc1cc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=S)[C@H]2C)OCO4)cc(OC)c1OC 6003219 JUNCLJIIVWLKKX-RHSNALOTSA-N 447.513 2.265 0 40 IEAB CCCCNC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O 8217099 SUHPTWSDWWVZSM-UHFFFAOYSA-N 425.533 2.370 0 40 IEAB Cc1ccc(C)c(-n2cnnc2SCC(=O)N2CC(=O)NC(=O)C23CCCCC3)c1 9117653 YHIKJBRKFNPUMW-UHFFFAOYSA-N 427.530 2.164 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)Cc1ccc(OC)c(OC)c1)n2CC 9646767 CIDARAPHCRAARX-UHFFFAOYSA-N 444.488 2.009 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)NCCC(=O)O)c2C)cc1 9849119 XKWRKFGCIHNWCC-UHFFFAOYSA-N 440.543 2.190 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)CC1 10544418 CBZHQHOJZAUNSB-ZDUSSCGKSA-N 446.953 2.305 0 40 IEAB Cn1c(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)n(Cc3ccccc3)c2n(C)c1=O 11845081 JHTCUWQRWMFMLG-UHFFFAOYSA-N 432.436 2.068 0 40 IEAB C[C@@]1(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)CCS(=O)(=O)C1 13120650 ZYXDSRRKUSCGFG-HXUWFJFHSA-N 446.554 2.372 0 40 IEAB COc1cc(Br)c(CC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1OC 17894151 SFTHBKMQHVHAPT-UHFFFAOYSA-N 443.294 2.320 0 40 IEAB COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)[C@@H](C)N2CCOCC2)c1 19080277 CKGFIBPRIMRKBL-GOSISDBHSA-N 435.528 2.458 0 40 IEAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)c3cnccn3)CC2)n1 19758735 MXMKEZWZZDZLOL-UHFFFAOYSA-N 436.491 2.374 0 40 IEAB COc1ccc(CN(C[C@H](O)COc2ccccc2OC)[C@@H]2CCS(=O)(=O)C2)cc1 20718668 FKTFMWJUZDFPSK-MOPGFXCFSA-N 435.542 2.133 0 40 IEAB COCCNC(=O)Cn1nc2c(c1NC(=O)c1cc(-c3ccccc3)on1)CSC2 23139043 HCPKQQKAEMIDSW-UHFFFAOYSA-N 427.486 2.300 0 40 IEAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)n(N)c2=O)cc1 27546254 VJYVGQKBCQTBPV-UHFFFAOYSA-N 425.514 2.381 0 40 IEAB CC(C)CN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1nc2ccccc2s1 69413746 FYBLLMQPSGKPTC-AWEZNQCLSA-N 448.570 2.451 0 40 IEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(CN2CCOC2=O)c1 84374446 AZKXJEACGVFNAS-UHFFFAOYSA-N 429.477 2.015 0 40 IEAB Cc1cccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1 89669047 BEFUFAKJRARZTJ-UHFFFAOYSA-N 427.482 2.435 0 40 IEAB O=C(NCC(=O)N1CC[C@@H](n2ncc3ccccc32)C1)c1ccc(N2CCCC2=O)cc1 96004840 LPRMUKBAGCIHNB-HXUWFJFHSA-N 431.496 2.367 0 40 IEAB O=C(c1ccccc1)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ccccn3)C[C@@H]2C1 96251483 RUFQWRVYHRIWBL-OFVILXPXSA-N 434.540 2.299 0 40 IEAB COc1ccc(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 105548035 JAZJNHQFZYYYHI-NEPXVJNWSA-N 436.574 2.200 0 40 IEAB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2nnc(C)s2)cc1 139123746 FPSMHGYNSCXYOL-UHFFFAOYSA-N 434.474 2.314 0 40 IEAB COc1ccc(CNC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c(OC)c1OC 220139381 DSNCNEIRROOJEI-HNNXBMFYSA-N 436.530 2.492 0 40 IEAB CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CN(C)S(C)(=O)=O 223329627 XRPGTEMXSFFWGN-QFIPXVFZSA-N 445.585 2.420 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224020906 UXJPPVJNECUXHN-KRWDZBQOSA-N 447.557 2.015 0 40 IEAB Cc1cccc(CS(=O)(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 224310394 NNWVFYHBLZVIJL-UHFFFAOYSA-N 438.571 2.278 0 40 IEAB COCCN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@]2(C)C[C@@]32NC(=O)c3ccccc3O2)CC1 253595940 LGYOZQTWGYVOCF-APNMAYFZSA-N 427.545 2.122 0 40 IEAB Nc1ncnc2c1ncn2[C@H]1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC[C@@H]1O 257206150 BCBQZZMICKIWRZ-PMACEKPBSA-N 449.559 2.233 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2CN(C(=O)c3cnc(C(C)C)nc3)CCN2C)cc1C 257236745 HDOWOGXXUXGVPJ-FQEVSTJZSA-N 439.560 2.032 0 40 IEAB CS(=O)(=O)N1CC[C@H](C(=O)NCc2nc(-c3cccs3)no2)Oc2ccccc21 260511580 QRDBOSNYZSNYEF-CQSZACIVSA-N 434.499 2.032 0 40 IEAB COCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C)ccc1OC 408589397 HJNDMQHJADQWMB-UHFFFAOYSA-N 436.530 2.360 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 408626737 WGWVWQVDVVXQOD-INIZCTEOSA-N 435.521 2.240 0 40 IEAB CCOC(=O)C1CCN(C(=O)c2ccc(OCC)c(S(=O)(=O)NC(C)C)c2)CC1 408700886 NNZRZNNZIRJCPN-UHFFFAOYSA-N 426.535 2.187 0 40 IEAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccc(OC)cc1 408710175 RETMVCWBACIVRM-GOSISDBHSA-N 438.528 2.164 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(Cc1cccn1C)C2 1549167623 QKCZSKQYPHVVSH-JOCHJYFZSA-N 436.556 2.086 0 40 IEAB O=S(=O)(c1ccccc1)N1CCCN(c2ccc3nnc(-c4cccnc4)n3n2)CC1 1775972450 GWGBTVKUNABTER-UHFFFAOYSA-N 435.513 2.087 0 40 IEAB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 3313156 UHWCRTMQKQSJHE-UHFFFAOYSA-N 433.873 2.260 0 40 IEAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3407677 XZMBCHYDSYWRQB-FQEVSTJZSA-N 447.557 2.258 0 40 IEAB COc1cc2c(c(OC)c1OC)-c1ccc(NCCN)c(=O)cc1[C@@H](NC(C)=O)CC2 4024617 BANVSFVHMXJHDU-KRWDZBQOSA-N 427.501 2.234 0 40 IEAB biogenic O=C(CN(Cc1cccs1)C(=O)CN1C(=O)COc2ccccc21)NCc1ccco1 4356387 LYGXRMXSEPNATM-UHFFFAOYSA-N 439.493 2.412 0 40 IEAB CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N1CCC[C@@H]1C(=O)O 8876875 MKGAFIGIUOMEDF-SQNIBIBYSA-N 430.505 2.280 0 40 IEAB biogenic CCOC(=O)c1sc2ncn(CC(=O)c3ccc4c(c3)N(C)C(=O)CO4)c(=O)c2c1C 9043931 BWIHKUJBHAGSEC-UHFFFAOYSA-N 441.465 2.181 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1Nc2ccccc2NC1=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 9060692 RRRCZLRUTYKLJR-JVPBZIDWSA-N 443.592 2.376 0 40 IEAB CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)c1 9254550 FZZWVLWZVRFIDI-UHFFFAOYSA-N 447.245 2.373 0 40 IEAB O=C(CSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCO2)c1ccccc1 9411127 RNRGOLUMJMSZCR-HZPDHXFCSA-N 430.507 2.373 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1F 9572660 CYQOPEXFWREQHU-UHFFFAOYSA-N 437.474 2.496 0 40 IEAB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)N[C@@H]1CCS(=O)(=O)C1 9612544 ANXPPVHALOTUBI-OAHLLOKOSA-N 437.901 2.379 0 40 IEAB CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4ccc(OC)c(OC)c4)c3n2)cc1 9739413 PXGWLDHVSRFZQH-UHFFFAOYSA-N 435.440 2.291 0 40 IEAB Cc1cc(C)n(-c2ccc(SCC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)nn2)n1 11139564 SQKNTVULEQTNNF-UHFFFAOYSA-N 440.485 2.491 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)CCc3ccccc3F)CC2)cc1 12803455 OLEIFFNIHYDOGH-UHFFFAOYSA-N 433.505 2.283 0 40 IEAB Cc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 12876350 QDVYOADVSGIQBI-UHFFFAOYSA-N 428.308 2.201 0 40 IEAB COc1ccc(N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc2ccccn2)c(OC)c1 13501424 DGPHQCRSCONQTB-UHFFFAOYSA-N 428.489 2.375 0 40 IEAB Cc1sc2ncn(CC(=O)NC[C@H](c3ccc(F)cc3)N3CCOCC3)c(=O)c2c1C 14241210 MDTHOAWZTRWHMP-GOSISDBHSA-N 444.532 2.404 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1 16428063 OIABMAFKNJXVNN-UHFFFAOYSA-N 447.532 2.338 0 40 IEAB O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1CC1CCN(c2ncccn2)CC1 19700711 POFAZDOLOCIWNQ-UHFFFAOYSA-N 434.544 2.280 0 40 IEAB CNc1nc(C2CCN(C)CC2)nc2c1CN(C(=O)CC1(NC(C)=O)CCCCC1)CC2 19711369 QKJUGUBAJJUNSM-UHFFFAOYSA-N 442.608 2.441 0 40 IEAB Cn1cc(C(=O)N2CC[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)ccc1=O 19762600 DSYDJRYQVQLAKF-QGZVFWFLSA-N 446.507 2.036 0 40 IEAB COC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)c1C 20061570 VQIWYWGJPVCVJB-UHFFFAOYSA-N 432.498 2.363 0 40 IEAB CCOc1ccc(NC(=O)CN(C)C(=O)Cn2c(=O)n(C)c3ccccc32)cc1OCC 22020075 STHVKVFFZRWMGZ-UHFFFAOYSA-N 440.500 2.235 0 40 IEAB Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1C(C)C 23641217 JKUVGQFSXUMOSN-UHFFFAOYSA-N 447.557 2.376 0 40 IEAB Cc1cccc(N2CCN(C(=O)Cn3c(CS(C)(=O)=O)nc4ccccc43)CC2)c1 27164287 MJWWIZUMIUUJAE-UHFFFAOYSA-N 426.542 2.238 0 40 IEAB CSc1ncc(Br)c(C(=O)NC[C@H](c2ccco2)N2CCOCC2)n1 28291214 FURWPCSWGOWERX-GFCCVEGCSA-N 427.324 2.357 0 40 IEAB CC(C)N(C)C(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 40090116 IOOXMPIAXCQECH-UHFFFAOYSA-N 435.590 2.193 0 40 IEAB Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(C(=O)c2cccn(C)c2=O)CC1 43959897 ATEZCSIDFIAUND-UHFFFAOYSA-N 437.949 2.178 0 40 IEAB O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 61718504 DHGVRYKLVNILIC-LJQANCHMSA-N 441.484 2.270 0 40 IEAB COc1ccc(-c2cc(C(=O)NCCc3ccncc3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 79492610 PDOVXJKXPAPACK-GOSISDBHSA-N 440.525 2.286 0 40 IEAB NC(=O)CC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccsc1 96012416 ANYMFKJTGSKPMX-CYBMUJFWSA-N 435.449 2.318 0 40 IEAB CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(C(=O)c2ccnc(OC)c2)C3)c(OCC)n1 100152916 NUNZDIYPWJZZCS-IAGOWNOFSA-N 442.516 2.438 0 40 IEAB CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 100772692 KPZYKZKTIXZRHP-WCXIOVBPSA-N 441.569 2.438 0 40 IEAB CN1CCC(Oc2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 219271852 VDMHDEPLXOXIGD-NRFANRHFSA-N 445.541 2.325 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 222732711 XXMXJYGDFJFORN-KRWDZBQOSA-N 443.569 2.223 0 40 IEAB CN1CCN(C(=O)Cn2ccc3ccccc32)C[C@H]1C(=O)NCc1ccc2c(c1)CCCO2 257210174 BTNVEWDEBKKJRJ-QHCPKHFHSA-N 446.551 2.425 0 40 IEAB O=C(C[C@H]1CN(C(=O)CCCc2cn[nH]c2)CC[C@@H]1Oc1ccccc1)N1CCOCC1 257342228 ZNQWOIFTSPPWIY-UNMCSNQZSA-N 440.544 2.277 0 40 IEAB Cc1cccc(CN2C[C@H]3[C@@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccn2)n1 306136380 PSADTBGMCQALML-VQTJNVASSA-N 437.525 2.016 0 40 IEAB O=S1(=O)C[C@@H](Nc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)[C@@H](O)C1 575421582 KCQRTBYVZLSHAR-UXHICEINSA-N 432.523 2.210 0 40 IEAB CC(=O)N1CC(=O)N2CC[C@@H](CC(=O)NC3CC3)[C@@H](C=CCOc3ccccc3C1)C2 958317797 OBKFFSQLJVMVPG-OALUTQOASA-N 425.529 2.117 0 40 IEAB CCOC(=O)Cn1nnnc1CN(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 927677 MWYYQPZPGHBMCL-UHFFFAOYSA-N 440.504 2.031 0 40 IEAB COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)o2)c(OC)c1 2723505 SECIMESFPKEKRM-UHFFFAOYSA-N 432.458 2.256 0 40 IEAB CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)[C@@H](C)CC)ccc12 8951919 BSVYXBFIVHCHTL-FPTDNZKUSA-N 446.500 2.246 0 40 IEAB biogenic COc1ccc([C@@H]2CCCN2CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(OC)c1 9364462 VVUHLRCSAXWIMN-KRWDZBQOSA-N 430.505 2.127 0 40 IEAB CCOc1ccc(-n2nnnc2CNC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 9571419 RVGYNDOATHZEPV-UHFFFAOYSA-N 428.449 2.409 0 40 IEAB COc1ccc(-c2nnc3ccc(OCCNS(=O)(=O)c4ccccc4)nn23)cc1 11694563 HVLJTZWIANIKGJ-UHFFFAOYSA-N 425.470 2.157 0 40 IEAB O=C(c1cn2ccc(Cl)cc2n1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 11866163 BHIHUOBEXZBRHV-GOSISDBHSA-N 426.860 2.112 0 40 IEAB CCOCCn1c(=O)c2c(nc(-n3nc(C)cc3C)n2Cc2ccccc2C)n(C)c1=O 12231689 XLXJJKZLKARLLR-UHFFFAOYSA-N 436.516 2.092 0 40 IEAB COc1cc(OC)c(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1NC(C)=O 12485113 VBLHXYCFXBLZLD-UHFFFAOYSA-N 435.502 2.300 0 40 IEAB CCc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 12508113 DSIGCADLJXBXFX-UHFFFAOYSA-N 440.543 2.079 0 40 IEAB O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)c1cccc(Br)c1 12809343 XZOVMKPQHNLCPQ-UHFFFAOYSA-N 439.331 2.400 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCN1CCSC1=O 12985523 VJDKVIOSSLZNMP-UHFFFAOYSA-N 427.548 2.367 0 40 IEAB O=C(CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)NCc1ccccc1Cl 12996873 HBYHQXBRQCBTHP-UHFFFAOYSA-N 439.940 2.492 0 40 IEAB COc1cc2c(cc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O)oc1ccccc12 13015238 ZMOLUMOCFQXIDH-UHFFFAOYSA-N 439.424 2.407 0 40 IEAB Cc1cccc(-n2ncc3c(=O)n4c(nc32)SC[C@H]4CC(=O)NC[C@@H]2CCCO2)c1 14009975 BBFJAHQICJVCGR-CVEARBPZSA-N 425.514 2.223 0 40 IEAB CC[C@]1(C)NC(=O)N(NC(=O)COc2ccc(Br)cc2Br)C1=O 14170494 HGXSDQKBGLDSPW-AWEZNQCLSA-N 449.099 2.342 0 40 IEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1c(C(=O)N3CCOCC3)oc3ccccc13)CS2 14672474 IGMQASDDVRTHJS-SPLOXXLWSA-N 429.498 2.298 0 40 IEAB CCCCN(C(=O)c1cc(=O)[nH]c2ccccc12)c1c(N)n(CCCC)c(=O)[nH]c1=O 15924669 FFYDGBISCLVFRO-UHFFFAOYSA-N 425.489 2.207 0 40 IEAB COc1cc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)o2)cc(OC)c1OC 16047924 DAKUWKDMNDBCTO-UHFFFAOYSA-N 447.469 2.483 0 40 IEAB Cc1ccc(NC(=O)C(=O)NCCOC(=O)CCn2c(=O)sc3ccccc32)cc1 16292993 VQEJPCHDQMFMRM-UHFFFAOYSA-N 427.482 2.060 0 40 IEAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@H]3CCCN(C(=O)c4ccnn4C)C3)n2)CC1 19085343 PMYOFJHQFLVWKL-KRWDZBQOSA-N 440.548 2.298 0 40 IEAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)CCCN2CCCC2=O)cnn1-c1ccc(F)cc1 19337055 SDIFAFGNWITQHM-SFHVURJKSA-N 427.480 2.170 0 40 IEAB COc1ccc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1OC 22795081 AISCWSGGZCGLQV-IBGZPJMESA-N 437.537 2.110 0 40 IEAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 23907791 MWQKGHMZZCUIMR-GOSISDBHSA-N 425.510 2.440 0 40 IEAB CN(C)[C@H](CNC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1ccccc1Cl 29051689 RHECOGQZLLLIIC-RBUKOAKNSA-N 431.899 2.318 0 40 IEAB COc1ccc(OC)c(CN2CCN(C(=O)CCNC(=O)c3ccccc3C)CC2)c1 29986065 HHFZXVWSBASDFK-UHFFFAOYSA-N 425.529 2.477 0 40 IEAB CS(=O)(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1 32074797 NYJJVVFNMRZYHV-OAQYLSRUSA-N 443.525 2.450 0 40 IEAB Cc1cccnc1NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 36365524 JBPUMRNRGSBOMB-INIZCTEOSA-N 428.514 2.166 0 40 IEAB COc1ccc2[nH]cc(CCNC(=O)c3nc(COc4ccccc4C(N)=O)no3)c2c1 40313332 QGXRBRSBMWWAQR-UHFFFAOYSA-N 435.440 2.210 0 40 IEAB biogenic C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc3ccccc3n2)CC1 72308518 AXSYRFNOBIPROF-MRXNPFEDSA-N 439.541 2.031 0 40 IEAB CCc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)sc1C 89282993 HZIBMWXQOQSTAT-UHFFFAOYSA-N 436.555 2.309 0 40 IEAB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1)[C@@H]1CCCO1 89942869 LMNVTENVGCBCGN-XIRDDKMYSA-N 430.954 2.485 0 40 IEAB O[C@@H](CNc1nccnc1NC[C@@H](O)COc1ccc(F)cc1)COc1ccc(F)cc1 95467696 LQILZNIGRVPLOX-HDICACEKSA-N 446.454 2.458 0 40 IEAB CCOc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C(=O)OC)cs2)cc1OCC 97228388 UGORBZFEQOYMDI-UHFFFAOYSA-N 442.515 2.249 0 40 IEAB CCCC(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C2CCOCC2)CC4)C1 100233605 OHZLPRUHBSUSON-INIZCTEOSA-N 427.549 2.478 0 40 IEAB COc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4c(C)cccc4C)[C@@H]3C2=O)cc1OC 101169871 OIARBKWZGGVYJN-PMACEKPBSA-N 437.456 2.253 0 40 IEAB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCC(=O)N[C@H](Cc1ccccc1)C(C)=O)(C3)C2 101810935 ATXJQVXAQZGLQF-PDPRIULTSA-N 440.540 2.321 0 40 IEAB CCOC(=O)/C=C1/SCC(=O)N1CC(=O)NCCc1ccc(OCC)c(OCC)c1 104897428 FQYYSTGHGYUHTC-UDWIEESQSA-N 436.530 2.123 0 40 IEAB CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226402451 IRNJOXDPFSPIHX-VHKGBJFMSA-N 440.471 2.385 0 40 IEAB C[C@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)COC[C@H]2CCCO2)C[C@@H](C)O1 248327619 ANGNOGMICNTHIG-NTDBWNAOSA-N 432.565 2.416 0 40 IEAB CCCS(=O)(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3ccncc3)C2=O)C1 306134330 NJGXLSXJKULORJ-SIKLNZKXSA-N 445.589 2.417 0 40 IEAB CC(=O)c1ccc(NC(=O)CN2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc1 585148494 KYEKOPWRLUXYBG-UHFFFAOYSA-N 440.422 2.119 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 2629200 JFTYIBGXPDFUDD-UHFFFAOYSA-N 439.559 2.220 0 40 IEAB Cn1cc(CNC(=O)CSc2nnc(-c3cc(Br)cs3)n2C)cn1 2791671 LLXHRXFMBLRYEA-UHFFFAOYSA-N 427.353 2.448 0 40 IEAB Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccc(Cl)cc3)n2C)s1 9263955 PTGVGUXBGBTZJL-UHFFFAOYSA-N 437.938 2.289 0 40 IEAB COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCCCC(=O)O 9330936 VWYXRMOVKHQPQH-WJDWOHSUSA-N 426.425 2.176 0 40 IEAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(Cc3ccc4c(c3)OCCO4)o2)cc1 9813438 VAIBQZAYIWOWAV-UHFFFAOYSA-N 443.481 2.406 0 40 IEAB Cc1noc(C)c1S(=O)(=O)Nc1cc(-c2ccccc2)nn1[C@H]1CCS(=O)(=O)C1 11795937 KLCLQTLAMNDMAT-HNNXBMFYSA-N 436.515 2.315 0 40 IEAB COc1ccc2c(c1)O[C@@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)[C@@]2(O)c1ccccc1 12872145 LMUGJHPMSJBXEO-WIOPSUGQSA-N 448.475 2.270 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1CCN([C@@H]2CCS(=O)(=O)C2)CC1 12973074 VZGWHBDRULWZAJ-HXUWFJFHSA-N 430.574 2.004 0 40 IEAB COc1ccc(Cn2nnnc2SCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 13128210 NEDRRBOPMUHGKL-UHFFFAOYSA-N 438.513 2.353 0 40 IEAB CC[C@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 13287471 VELULQHFLLUZCG-MELADBBJSA-N 446.953 2.209 0 40 IEAB CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N3CCN(c4ccccc4F)CC3)c2)C1=O 15858618 YNXKSNREXNVZPB-UHFFFAOYSA-N 445.516 2.491 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)NCCN(C(C)C)C(C)C 19079456 HSQLHHUSCYSFCZ-KRWDZBQOSA-N 441.623 2.229 0 40 IEAB CCn1cc(S(=O)(=O)NCc2ccc(-c3ccc(C(=O)NC)c(C)n3)cc2)c(C)n1 19700588 DDAWTYPQRYCYDE-UHFFFAOYSA-N 427.530 2.420 0 40 IEAB CN1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4ccncc4)CCO3)nc3ccccc23)CC1 19759177 KZEJBBKRIOOAMY-HSZRJFAPSA-N 445.523 2.231 0 40 IEAB CC(C)[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1nnc2ccccc2c1=O 20547978 FZYLSPWAWDLRHN-QFIPXVFZSA-N 449.511 2.062 0 40 IEAB CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1 22224537 NRPCHDXLXKPJJU-NRFANRHFSA-N 430.411 2.072 0 40 IEAB CCc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1 23805793 YTSCHCIDUYIURX-HSZRJFAPSA-N 439.468 2.207 0 40 IEAB COc1cc(C(=O)OCC(=O)N(C)[C@@H]2CCCc3ccccc32)ccc1OCC(N)=O 25177360 ORYNHKWIVGLVCD-GOSISDBHSA-N 426.469 2.252 0 40 IEAB CCOC(=O)C1=C(CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)NC(=O)N[C@H]1c1ccco1 31801587 WJCBJGARSLBHEB-UGSOOPFHSA-N 438.440 2.308 0 40 IEAB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N4CCC[C@H](C(N)=O)C4)c23)C1 40160663 ZFMICXHWTHOCBP-GJZGRUSLSA-N 429.590 2.350 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C 44841936 JUAAIRDTICOCFG-UHFFFAOYSA-N 436.509 2.217 0 40 IEAB COCCc1noc(-c2ccc(=O)n(CC(=O)Nc3cccc(Br)c3)c2)n1 49007566 LWEIWNAOOVMMRD-UHFFFAOYSA-N 433.262 2.488 0 40 IEAB Cc1ccc(N2C(=O)CN(Cc3ccc4c(c3)OCO4)[C@H]3CS(=O)(=O)C[C@H]32)cc1C 55387481 BDFSGXRINWTNIS-RBUKOAKNSA-N 428.510 2.047 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3ccccc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 55408657 YMTMEEOVMZDXJK-RBUKOAKNSA-N 434.945 2.406 0 40 IEAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)C1 58202095 UTUIZXGSUGQFHM-OSPHWJPCSA-N 440.544 2.139 0 40 IEAB O=C(Cn1nc(N2CCOCC2)ccc1=O)NCCC(c1ccccc1)c1ccccc1 61717961 YHZISTUHVOEBRL-UHFFFAOYSA-N 432.524 2.418 0 40 IEAB Cc1cc(NC(=O)CN2CCN(C(=O)COc3ccc(Cl)c4cccnc34)CC2)no1 71808712 LNXJEMCYWZLBLD-UHFFFAOYSA-N 443.891 2.346 0 40 IEAB Cc1cccnc1Nc1cccc([C@H]2CCCN(CC(=O)N3CCC(C(N)=O)CC3)C2)n1 72376022 OBMDANWUYMDBES-IBGZPJMESA-N 436.560 2.432 0 40 IEAB O=C(C[C@H]1C=CCC1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1 72398892 KLGVZCLRDHWJCB-KRWDZBQOSA-N 426.561 2.369 0 40 IEAB Cc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc(S(=O)(=O)N(C)C)c1C 95424592 SUOAMFQFIGDKJF-IBGZPJMESA-N 443.525 2.461 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O 222600691 NRRFNDWKOBIPCS-QGZVFWFLSA-N 449.548 2.372 0 40 IEAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 224083086 NUWYRUXXZTXGAI-LJQANCHMSA-N 445.585 2.211 0 40 IEAB C[C@@H](N)C(=O)N1CCC2(CC1)CO[C@@]1(C)CC[C@H]3OC(C)(C)[C@H](O)CC[C@]3(C)O[C@@H]1C2 257214182 CKXMBUNYPVMHLI-WYIZHRONSA-N 438.609 2.378 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 408591500 JFXYARCSOKGOMW-KRZKXXONSA-N 431.533 2.350 0 40 IEAB NC(=O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 409156423 SFXPSSVPBHHCGM-CXUHLZMHSA-N 429.429 2.365 0 40 IEAB O=C(c1ccc2n[nH]cc2c1)N1CCC[C@H](C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1 606886240 CLRMAQGENIZZBY-ZDUSSCGKSA-N 447.421 2.068 0 40 IEAB O[C@H]1CN(Cc2cccc(Cl)c2)CCCCc2ccccc2OC[C@@H](O)[C@@H](O)[C@@H]1O 643583853 DLBFCQCGCJTOFE-KKSHJYNMSA-N 435.948 2.001 0 40 IEAB COCCn1cnc2c(N3C[C@H]4CN(c5ncnc(C(C)C)c5F)C[C@H]4C3)ncnc21 1888913895 KWPNSIPOJDPCMB-GASCZTMLSA-N 426.500 2.098 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1 728672 KPZQILWHGVRZOB-CNSVBDKNSA-N 448.500 2.334 0 40 IEAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 3372918 NJDZCUPFOGCKHQ-UHFFFAOYSA-N 430.372 2.486 0 40 IEAB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)OCC(=O)NC(=O)c1cccn1C 3375819 BSWPOQOJKZQRNT-QHCPKHFHSA-N 449.507 2.361 0 40 IEAB COc1ccc(OC)c(NC(=O)C[C@@H]2C(=O)NCCN2C(=S)Nc2ccccc2)c1 9347783 JALQRQTURJIMAZ-QGZVFWFLSA-N 428.514 2.230 0 40 IEAB Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1CCCN1CCC(Cc2ccccc2)CC1 9421163 AWTRALLYDWMAQB-UHFFFAOYSA-N 448.571 2.340 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COc1ccc(C(C)=O)cc1OC 9631992 SIPXWRNKZPKJOJ-UHFFFAOYSA-N 436.486 2.174 0 40 IEAB Cc1ccc(NC(SCC(=O)N2CCCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 9974326 NYROQOGNGKDCED-UHFFFAOYSA-N 430.530 2.415 0 40 IEAB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)C1=O 12633691 QHEQMLOOAVHFMG-HSZRJFAPSA-N 434.452 2.142 0 40 IEAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N 12715542 GKDOMOOAVQWDRB-CYBMUJFWSA-N 429.546 2.304 0 40 IEAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 13029925 UNGDWZJCVWVBQW-LJQANCHMSA-N 449.598 2.336 0 40 IEAB Cc1ccnc2nc(C(=O)Nc3nc(-c4ccc(N(C)S(C)(=O)=O)cc4)cs3)nn12 15514518 NXIBGCOTRVLELF-UHFFFAOYSA-N 443.514 2.204 0 40 IEAB Cn1c(=O)c2ccccc2n2c(CN3CCC(C(=O)Nc4ccccc4O)CC3)nnc12 16930327 JVMJGGHMCDWZAF-UHFFFAOYSA-N 432.484 2.138 0 40 IEAB O=S(=O)(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 18940541 BHJZYLQLFQBGED-LFIBNONCSA-N 432.567 2.482 0 40 IEAB COc1ccc2c(c1)C(=O)N(CC(=O)N1CCCC[C@@H]1C)C[C@@]1(CCC(=O)N(C)CC1)O2 19496264 UDAASQOSZPENSQ-XDHUDOTRSA-N 443.544 2.312 0 40 IEAB O=C(Cc1ccccn1)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1 19695591 YYEZBZZJRRXBGS-RUZDIDTESA-N 430.508 2.176 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3cccc(OC)c3)C1)C2=O 19699984 AMJHUVGSMOROMS-GOSISDBHSA-N 428.533 2.096 0 40 IEAB CN(C)C(=O)c1ccc(C2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)nc1N 19765945 TVTDOYJHGIJRQO-LJQANCHMSA-N 449.555 2.120 0 40 IEAB O=C(O)C[C@@H]1CCN(C(=O)c2ccnc(Cl)c2)C[C@@H]1CCN1CCC(C(=O)O)CC1 20462870 FGHCRJUJJIWBES-RDJZCZTQSA-N 437.924 2.475 0 40 IEAB biogenic,in-vitro CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)c1 21869094 CUQKWSLAFLUOOO-GFCCVEGCSA-N 436.452 2.331 0 40 IEAB COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 22227092 FTQXVJCXTCVEKL-UHFFFAOYSA-N 438.933 2.342 0 40 IEAB CCN(CC)C(=S)SCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 24866063 IBOMJTJFZLVPCI-UHFFFAOYSA-N 432.637 2.301 0 40 IEAB CCc1cccc(C)c1NC(=O)Cn1cccc2c(=O)n(Cc3cccnc3)c(=O)nc1-2 32616276 VWJLMNDJSJMLOK-UHFFFAOYSA-N 429.480 2.463 0 40 IEAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 35313232 XPWQOLVPEJXEGD-UEHPKLIBSA-N 429.561 2.053 0 40 IEAB O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)NCc1ccccc1 35315808 JJVADLROQPDYGP-UHFFFAOYSA-N 434.489 2.474 0 40 IEAB CC(C)CCNC(=O)Cn1nc2n(Cc3cccs3)c(=O)c3sccc3n2c1=O 65305410 QUJRFTQUXNXBQI-UHFFFAOYSA-N 431.543 2.145 0 40 IEAB COCCc1ccc(OC[C@@H](O)COC[C@H](O)COc2ccc(CCOC)cc2)cc1 67665193 HHZVYUDYADUPTD-VXKWHMMOSA-N 434.529 2.261 0 40 IEAB in-vitro Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccccc1Br 72297075 IWBAYEZVLPOHQB-CMPLNLGQSA-N 443.367 2.344 0 40 IEAB C[C@H](C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2ccccc2N1)n1nc2ccccc2n1 72325354 JJKCQGMJQDQRJQ-VOIUYBSRSA-N 446.511 2.326 0 40 IEAB CC(C)(C)OC(=O)N1CCN(C(=O)CC[C@@H]2N=C(O)N(CCc3ccccc3)C2=O)CC1 95473390 BSDTYZHWAXYPMQ-SFHVURJKSA-N 444.532 2.213 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)NCCn3ccnc3-c3ncccn3)n(C)n2)c1 96103907 AUFWHVAZKJAICJ-UHFFFAOYSA-N 433.472 2.188 0 40 IEAB N=c1oc2c(I)cc(I)cc2cc1C(N)=O 98212168 HWARNFPBPIENKE-UHFFFAOYSA-N 439.978 2.220 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223672552 LBPIGJDBLAPVAI-YSIASYRMSA-N 425.529 2.190 0 40 IEAB COc1ccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)cc1 224765255 UJOUQFJZLXSPGP-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB CCOC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(OC)c(OC)c1 224809226 MALROGKHMWWJQN-UHFFFAOYSA-N 437.470 2.233 0 40 IEAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3nccs3)C[C@H]2N1Cc1ccccc1 306137313 QSKYBBBQYFVCFN-SJORKVTESA-N 428.539 2.374 0 40 IEAB C[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1)c1ccccc1 408655795 MFVFIRJASVMLDV-PBHICJAKSA-N 443.887 2.254 0 40 IEAB O=C(Nc1ccc(F)cc1)N1CC2(C1)CN(C(=O)c1ccccc1F)C[C@@H]1COCCN12 604381828 QMOSVBUESIYKHF-GOSISDBHSA-N 442.466 2.408 0 40 IEAB biogenic,in-vitro CC(C)c1ncc([C@@H]2[C@H](O)[C@@H](C(=O)N3CCOCC3)C[C@H]2NCc2cccc(F)c2)[nH]1 2332241795 JDRHTXBGENNGQL-UYWIDEMCSA-N 430.524 2.154 0 40 IEAB COc1ccc(N([C@H](C)C(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1 916507 ZHTGAGBKMYFXEO-MRXNPFEDSA-N 435.521 2.338 0 40 IEAB CCS(=O)(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(OC)c(OC)c3)cc2C1 8840340 MDKKDSVZSVLPLI-UHFFFAOYSA-N 440.543 2.212 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 9120447 CZVUOBJDRHEHBY-UHFFFAOYSA-N 447.542 2.461 0 40 IEAB COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2cc(O)ccc2O)cc1 9429086 ICDHQBBISKQVFW-JOCHJYFZSA-N 449.463 2.245 0 40 IEAB Cc1c(CCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c(=O)oc2c(C)c(O)ccc12 9449176 OLTDGLUTIWLUST-UHFFFAOYSA-N 430.482 2.012 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccccc1 9667976 NVJHHKCEOKIILI-KRWDZBQOSA-N 431.514 2.000 0 40 IEAB O=C(CNc1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc(N2CCOCC2)cc1 9696696 XLOLIMAEVLFHQU-UHFFFAOYSA-N 444.557 2.358 0 40 IEAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 9767815 OTAOLTLVXZSRJL-UHFFFAOYSA-N 443.569 2.233 0 40 IEAB Nn1c(Cc2ccccc2F)nnc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 9799389 RHTIDZNWXDIQRI-LJQANCHMSA-N 427.505 2.414 0 40 IEAB COc1ccc(N(C)c2nnc(-c3ccc(NC(=O)C(=O)NC[C@H](C)O)cc3)s2)cc1 11797290 PVZUFSHAUDDZER-ZDUSSCGKSA-N 441.513 2.417 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 12122797 AROZOXJSFGSTMN-QGZVFWFLSA-N 430.526 2.324 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3cc(OC(C)C)nc(C)n3)CC2)cc1OC 12224922 RXYAEJYGHRMBED-UHFFFAOYSA-N 436.534 2.100 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2c(C)cccc23)c1 12890062 NRVIXZWDGPUGHO-BYPWWNMNSA-N 425.485 2.157 0 40 IEAB biogenic CCOc1ccccc1N(CC(=O)NCCOC)C(=O)CCC(=O)Nc1nccs1 13501895 DVRKWVMDEIZJCR-UHFFFAOYSA-N 434.518 2.056 0 40 IEAB COC(=O)c1ccc(NC(=O)CSc2n[nH]c(=O)c3cc(-c4ccco4)nn23)cc1 16844475 BFRSZDMSTBXXMZ-UHFFFAOYSA-N 425.426 2.195 0 40 IEAB CCOc1ccccc1-n1c(=O)[nH]c(O)c([C@@H]2NCCc3c2[nH]c2ccc(OC)cc32)c1=O 17015197 VECJQAXMDOPELG-NRFANRHFSA-N 448.479 2.355 0 40 IEAB biogenic Cc1c(S(=O)(=O)N2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)cnn1C 19553866 ZAJQKRGZWLWJIT-UHFFFAOYSA-N 449.558 2.276 0 40 IEAB Cc1nnc2n1C[C@H](c1cccc(NC(=O)Cc3csc(NS(C)(=O)=O)n3)c1)CC2 19699096 BBYNIQQROCYKDH-CQSZACIVSA-N 446.558 2.326 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccccc3F)CC1)C2=O 19701360 LSEJIRWEYZDLEK-UHFFFAOYSA-N 444.551 2.402 0 40 IEAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2S(=O)(=O)N(C)C)nc1C 19753435 LQPDHRMSKREWBD-KRWDZBQOSA-N 433.534 2.379 0 40 IEAB COC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccccc1 19818039 LNZNCYCIMHBZSR-RTBURBONSA-N 426.904 2.478 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1ccc(F)c(F)c1 20022289 CYQSNVDQINZATN-UHFFFAOYSA-N 426.441 2.312 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(N2CCCC2=O)cc1 22511285 NAZLCFQTJOWMCN-UHFFFAOYSA-N 443.525 2.395 0 40 IEAB C[C@H]1CN(C(=O)Cn2nc(C3CC3)c3cnn(-c4ccc(F)cc4)c3c2=O)C[C@H](C)O1 22768079 DYIDBMUWIPVNML-KBPBESRZSA-N 425.464 2.235 0 40 IEAB CCc1ccccc1NC(=O)CN1CCN(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1 23248920 RMWXRZAIRPWCJL-UUOWRZLLSA-N 441.576 2.263 0 40 IEAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 24881231 CENZEHSCMKUUNK-QFIPXVFZSA-N 443.569 2.239 0 40 IEAB CCOc1ccccc1NC(=O)Cn1cccc(S(=O)(=O)N2CCC(C)CC2)c1=O 49409102 RKWFQCPCNJWDTG-UHFFFAOYSA-N 433.530 2.306 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3cccs3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 63390405 CDEHTROZQHCAPW-SJORKVTESA-N 440.974 2.467 0 40 IEAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)CCNC1=NC(=O)CS1 72370287 GHKGIXDISMZKKP-ZDUSSCGKSA-N 444.582 2.404 0 40 IEAB CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)cc1 79108609 QRTZKEWEIKDIBT-UHFFFAOYSA-N 435.483 2.400 0 40 IEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C)c3ccc([S@](C)=O)cc3)C2=O)cc1 89629891 NRXZEFAOHHQYKT-OKGOCJFSSA-N 427.526 2.377 0 40 IEAB NC(=O)CSc1ccccc1NC(=O)c1ccc(-n2cc(Br)cn2)nn1 89814303 QNOLBBUCCUOEPI-UHFFFAOYSA-N 433.291 2.255 0 40 IEAB CC(=O)N1CCN(Cc2cccc(NC(=O)[C@H]3CSCN3C(=O)CC(C)(C)C)n2)CC1 89954521 QVNGCVOIRZSYMW-GOSISDBHSA-N 447.605 2.022 0 40 IEAB O=C(NCCc1ccccn1)[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 95476619 KIPLXXGKBRAGSE-LBPRGKRZSA-N 428.290 2.432 0 40 IEAB O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 96114460 QSQITBCOURJRGD-NJAFHUGGSA-N 438.919 2.308 0 40 IEAB biogenic Cc1ccc(CN(CC(=O)NCc2ccccc2CN2CCCC2=O)S(C)(=O)=O)cc1 225318834 QKYGVSQQFRIZHF-UHFFFAOYSA-N 443.569 2.195 0 40 IEAB C[C@@H]1C[C@@H](C)CN(c2cc(N3CCOCC3)nc(NC(=S)NC[C@H]3CCCO3)n2)C1 260707794 BZXSPPXXXLKOLE-BRWVUGGUSA-N 434.610 2.261 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C)cc3)C2)cc1 408666144 GFFQJJZJDAITRX-QGZVFWFLSA-N 439.468 2.069 0 40 IEAB COc1ccc(C(=O)N[C@H]2CCc3c(F)cccc32)cc1S(=O)(=O)N1CCOCC1 509106345 DBPZFISRESSWGY-SFHVURJKSA-N 434.489 2.273 0 40 IEAB O=C1NCCCCC2(CCN([C@@H]3CCCC[C@@H]3O)CC2)C(=O)NCCOc2ccccc21 643568942 VNKYMDADDHEYQS-RTWAWAEBSA-N 443.588 2.481 0 40 IEAB CC(=O)Nc1ccc2c(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)cc(=O)oc2c1 9284579 KAAZJIOGHADCPZ-QHCPKHFHSA-N 449.419 2.447 0 40 IEAB COCCOC(=O)c1c(NC(=O)CN2CCC[C@@H]2c2cccn2C)sc(C(N)=O)c1C 9439450 FEAFTXFJFPZHRL-OAHLLOKOSA-N 448.545 2.073 0 40 IEAB COc1ccc(CN(C)C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1OC 9512296 IKFRVZRZXGLOBT-DEOSSOPVSA-N 437.496 2.446 0 40 IEAB O=C1CCC(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)=NN1 9593878 XSNRRRQWNRQXBC-MRXNPFEDSA-N 428.832 2.420 0 40 IEAB COc1ccc(CN[C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1OC 9792151 ACFUXOWSEDEGCL-OAHLLOKOSA-N 435.546 2.379 0 40 IEAB O=C(CN1CC[C@]2(CCC1=O)NC(=O)c1ccccc1O2)Nc1nc2c(s1)CCCC2 12085694 YBOYKLGPYYJJBF-JOCHJYFZSA-N 440.525 2.492 0 40 IEAB Cc1nc2cc(C3CCN(C(=O)c4ccoc4CN4CCOCC4)CC3)nn2c(O)c1C 12134035 FODXNLYZBCPKPM-UHFFFAOYSA-N 439.516 2.497 0 40 IEAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2N)cc1OC 12348805 QTXMMRKEMONQSI-UHFFFAOYSA-N 445.501 2.424 0 40 IEAB CCN1CCC[C@H]1CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12605705 ISYRBFPDMRNMOC-SFHVURJKSA-N 445.541 2.473 0 40 IEAB CCCn1c(=O)n(CC(=O)N(CCOC)Cc2nc3ccccc3c(=O)[nH]2)c2ccccc21 12883202 OJTKDYMPKXUDFI-UHFFFAOYSA-N 449.511 2.125 0 40 IEAB CCCn1c(N)c(N(CCOC)C(=O)c2cc(Cl)nc3ccccc23)c(=O)[nH]c1=O 12916766 NMARUTQVNXAMDP-UHFFFAOYSA-N 431.880 2.024 0 40 IEAB COc1cc2c3nc4n(c(=O)c3n(CC(=O)NCc3ccco3)c2cc1OC)CCS4 13568146 DQIAFRVNOSGRJT-UHFFFAOYSA-N 440.481 2.384 0 40 IEAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1ccccc1Cl 13729647 OCXYILLVPPZMLU-OAHLLOKOSA-N 435.933 2.496 0 40 IEAB CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCCN(C(=O)CCn3nc(C)nc3C)C2)C1 19219418 MTTYGOKFABZGEG-QHCPKHFHSA-N 425.533 2.396 0 40 IEAB CC(C)(C)C(=O)N1CCC[C@@H](N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)C1 19699674 CDENEPDCFJTUDX-GOSISDBHSA-N 440.544 2.250 0 40 IEAB CCN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)c2ccccc2OC)CC1 19819900 OWIJFAWQPUOWSM-IBGZPJMESA-N 447.557 2.081 0 40 IEAB C[C@H](OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)C(=O)Nc1ccc(C(F)(F)F)cc1 21138548 PDOLDXPASLEZJQ-YPMLDQLKSA-N 427.379 2.296 0 40 IEAB C[C@@H](NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 22228311 JKOIBRYWOOGNFS-GOSISDBHSA-N 443.569 2.397 0 40 IEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1CN1CCCCC1 31524937 XWIAPTYRVFPCQN-UHFFFAOYSA-N 427.526 2.133 0 40 IEAB COc1ccccc1N1CCN(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 34657403 HJWUOPKHXQOPPU-UHFFFAOYSA-N 435.528 2.254 0 40 IEAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2cccc(OCc3ccccn3)c2)C[C@@H](C)O1 48252679 HZPWYTDQPZIDNJ-IAGOWNOFSA-N 448.545 2.221 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccccc2Cl)c(=O)c2sccc21)NC[C@@H]1CCCO1 57427988 DUILOQGVEWDYIA-AWEZNQCLSA-N 433.917 2.222 0 40 IEAB COc1ccc(N2C(=O)CN(CCc3ccc(Cl)cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 63376385 MXDLMEJOTDKJOE-PMACEKPBSA-N 434.945 2.406 0 40 IEAB COC(=O)CNC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCCC4)CCC(C)(C)O2 70666170 LWDDOHYGCYHCAC-UHFFFAOYSA-N 429.469 2.443 0 40 IEAB biogenic CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)nc(C)n3[C@@H]2CCS(=O)(=O)C2)C1 72301648 RSFVDEBDDGWGPF-QZTJIDSGSA-N 446.573 2.083 0 40 IEAB Cc1nnc(SCC(=O)N2CCC[C@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)o1 72394237 AFDPDQHJZYLZBA-NSHDSACASA-N 430.939 2.328 0 40 IEAB C[C@H](CNC(=O)CC[C@@H]1CCCO1)OC(=O)C1CCN(C(=O)CC[C@@H]2CCCO2)CC1 95451357 VJTQQCNUOUQYAT-HOJAQTOUSA-N 438.565 2.191 0 40 IEAB COc1cccc(C(=O)N2CCC3(CC2)CC[C@@]2(C(=O)N(C)C)CN(C(C)=O)C[C@@H]32)c1 96143788 CWKXZGHFADGRNR-GBXCKJPGSA-N 427.545 2.264 0 40 IEAB CN(C)C(=S)/N=c1\ss/c(=N/C(=S)N(C)C)n1-c1ccc(N(C)C)cc1 104276762 GUMQXHUNOMRTJY-JRDMOELTSA-N 426.662 2.161 0 40 IEAB CCOC(=O)COc1ccc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1 108926920 BWIRFSKILPLGDS-YBEGLDIGSA-N 428.397 2.101 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)CC1 220297064 ABFAQDJFAKBAEG-MRXNPFEDSA-N 435.521 2.338 0 40 IEAB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224827248 LNSVYAIYJYJBCP-UHFFFAOYSA-N 437.470 2.233 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccc(OC)cc3)s2)ccc1OC 225536004 LPEUWEOVZFOBBH-UHFFFAOYSA-N 434.499 2.383 0 40 IEAB Cc1nc(C)n(CC(=O)N2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)n1 257214715 CNEGDSKXAPWUGU-FQEVSTJZSA-N 444.923 2.493 0 40 IEAB COCC(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 306129311 IALMERZZOMSVRM-LAUBAEHRSA-N 431.562 2.220 0 40 IEAB COc1ccc(OC)c(NC(=O)CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1 408554957 VVVUAMOKXWDFNU-UHFFFAOYSA-N 425.363 2.416 0 40 IEAB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1 408589439 FQIKYEBEZOSARY-UHFFFAOYSA-N 447.557 2.013 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1C 408626248 VJPKYAVDNFSZQT-UHFFFAOYSA-N 436.486 2.349 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408705051 XMSBOWQSSSYGDI-CYBMUJFWSA-N 434.470 2.038 0 40 IEAB CN(C[C@H]1COC2(CN(C(=O)Nc3ccc(F)cc3)C2)CS1(=O)=O)C1CCCCC1 2332242988 VKJFHHABKMGOTC-IBGZPJMESA-N 439.553 2.490 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC)nc3C)c(=O)n2[C@@H]1c1ccccc1 648928 KNWBBOROFDBNFY-VOMPUTFMSA-N 436.537 2.323 0 40 IEAB CCOC(=O)Cn1nnnc1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1 927887 YKZXVQKPRWTDLB-UHFFFAOYSA-N 440.504 2.031 0 40 IEAB COc1ccccc1/C=C(/C(=O)OCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 3440173 VXMUMJAAKOYLMM-YFQSIASUSA-N 443.521 2.425 0 40 IEAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N(CC(C)C)[C@H]3CCS(=O)(=O)C3)cc2)n1 4144235 NWTKNIHTZFDZBP-FQEVSTJZSA-N 447.557 2.318 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CCn3c(=O)oc4ccccc43)CC2)cc1 8724258 QKGRRUAQBCXAEJ-UHFFFAOYSA-N 443.525 2.216 0 40 IEAB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3c(c2)OCCO3)CC1 8831666 OJXARMJMKUBSPU-UHFFFAOYSA-N 440.525 2.253 0 40 IEAB O=C(Cn1cc(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21)N1CCOCC1 8916433 ZYBOYKVKMFIZPL-FYJGNVAPSA-N 444.516 2.270 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)NCc1ccco1 8994069 CCNKDDNCYCIGEF-PZPWOCDFSA-N 441.484 2.209 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCC(=O)Nc3ccccc3)C2)cc1 9184511 GMMZTDJWCOBZHD-KRWDZBQOSA-N 445.541 2.241 0 40 IEAB Nc1nc(SCC(=O)NCc2ccc(F)cc2)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 9518062 IUOHBOYDFXFGFI-UHFFFAOYSA-N 445.451 2.291 0 40 IEAB C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC1CC1 10210895 HZYQYMOHNFPOBV-CYBMUJFWSA-N 446.481 2.083 0 40 IEAB CC(=O)[C@H](C)N1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C 10363217 PGPFXUJNAOLCLR-HOTGVXAUSA-N 436.516 2.296 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)C(C)C)CC1 12865314 HTBVVKNIEQSHHZ-PVAVHDDUSA-N 441.569 2.390 0 40 IEAB biogenic Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cc(F)ccc3F)CC2)cc1 12944359 ZHIMTJKNVMZOFB-UHFFFAOYSA-N 430.498 2.405 0 40 IEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 13028527 QIPWAAIJVBRJDQ-UHFFFAOYSA-N 435.521 2.065 0 40 IEAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@@]2(CCSC2)C1=O 13137239 QGDUJMGYYMPYJM-QGZVFWFLSA-N 447.435 2.097 0 40 IEAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1CCN(C(=O)OCC)CC1 13810598 PIECWKFDOXELRN-AWEZNQCLSA-N 446.504 2.454 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](NC(=O)Cc4ccc5c(c4)OCCO5)[C@H]3C2)cc1 19211748 ZFFGLMACEAMPEZ-HOJAQTOUSA-N 442.537 2.134 0 40 IEAB CN(C)C(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)CN2CCCC2=O)CCO1 19580638 OWHLUJOZQZMTTN-SANMLTNESA-N 449.551 2.204 0 40 IEAB Cc1cccc(NC(=O)CCCC(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)n1 19744195 VDTLVZJMFRNJPB-QGZVFWFLSA-N 436.516 2.480 0 40 IEAB Nc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1C(=O)N1CCOCC1 19765796 XEDYMCYEWRPPMB-UHFFFAOYSA-N 442.491 2.060 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 22980716 KJBVIYGDBIWGBT-CQSZACIVSA-N 447.513 2.454 0 40 IEAB C[C@@H](OC(=O)c1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 23075025 SMCNLQNMWBXJFU-CQSZACIVSA-N 436.461 2.031 0 40 IEAB Cn1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)n1 25321826 YEZIQMJUTVQIGC-JTQLQIEISA-N 433.353 2.284 0 40 IEAB COCCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 27915322 VXTARZZCNGRWNG-UHFFFAOYSA-N 440.905 2.069 0 40 IEAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 39972236 CRMPYZSYIBTSFD-LLVKDONJSA-N 427.429 2.287 0 40 IEAB CSc1nc(C)c(CCC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1 69348680 ZWTNFBQWDNDTEZ-UHFFFAOYSA-N 441.601 2.209 0 40 IEAB Cc1cc(-c2cc(=O)n(CC(=O)NCC(=O)N3CCCCC3)nc2-c2cccs2)on1 72337301 DERNORXWIHERAJ-UHFFFAOYSA-N 441.513 2.064 0 40 IEAB CNc1cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3OC)C2)nc(CN(C)C(C)=O)n1 72370153 DYSWDLGCNHDWET-MRXNPFEDSA-N 447.561 2.074 0 40 IEAB CNC(=O)CS(=O)(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 96377014 MCCVWRDJWLBKJQ-UHFFFAOYSA-N 428.510 2.076 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c1 102273532 KEPSKOZEWVRXDJ-NYYJTOMGSA-N 426.922 2.394 0 40 IEAB Cc1cccc(C)c1N1C(=O)C[C@@H](N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O 102813960 XFCSPVDCNYJHIB-GOSISDBHSA-N 445.516 2.081 0 40 IEAB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)NCCN2CCOCC2)S1(=O)=O 219185737 ZMXROQJCEJXYLX-UHFFFAOYSA-N 441.553 2.064 0 40 IEAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224642501 YYAGORCHCGSDLC-SFHVURJKSA-N 431.558 2.396 0 40 IEAB CN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 225574457 YLDDBSQQCBOTDR-UHFFFAOYSA-N 430.486 2.170 0 40 IEAB Cc1cccc(-c2noc(CNC(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)n2)c1 225778408 MTLGXPNCWDBLOZ-UHFFFAOYSA-N 430.486 2.136 0 40 IEAB CCn1cc(C(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)c(=O)c2ccc(C)nc21 390828201 AHNPRFPSQWZNKH-UHFFFAOYSA-N 444.495 2.307 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCOC(C)C)C2)c1 408558060 IGQMKDJIAOTFQH-MRXNPFEDSA-N 428.551 2.036 0 40 IEAB Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1C 409052221 CFZFZSRXGXFWQG-UHFFFAOYSA-N 446.558 2.314 0 40 IEAB COc1cc(OC)c(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(OC)c1 409216655 NILZDVUYFLHCGL-MHWRWJLKSA-N 429.404 2.383 0 40 IEAB O=S(=O)(c1cnn(-c2ccccc2)c1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 519066086 OPIIBAYJPBVGHM-UHFFFAOYSA-N 440.525 2.150 0 40 IEAB C[C@H](Oc1ccc(I)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1042263 BITIGXMALXDPTR-JTQLQIEISA-N 446.266 2.345 0 40 IEAB Cc1ccc(NC[C@@H](O)Cn2c(Nc3ccc(C)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 1287833 ZASXWYMRIQJVOJ-GOSISDBHSA-N 434.500 2.257 0 40 IEAB Nc1cccc2c1C(=O)N(C(=O)c1cccc(S(=O)(=O)N3CCCCCC3)c1)C2=O 3283240 CHLZOYVSFJPFRY-UHFFFAOYSA-N 427.482 2.270 0 40 IEAB COCCN1N=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C 8704220 NSSPJIGXWHKBII-UHFFFAOYSA-N 438.532 2.122 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)O 8791316 VIABPXCUXYVHTH-NZNSQFJMSA-N 447.557 2.155 0 40 IEAB biogenic COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc(Cl)c2)CC1 9570146 GQHAGCDSMRJDGS-UHFFFAOYSA-N 437.949 2.230 0 40 IEAB O=C(Cn1ccccc1=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 9640579 GDHGCCSUHYLQHJ-UHFFFAOYSA-N 441.465 2.059 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCN(C(=O)c2ccco2)CC1 9872050 WILNPQPVYPZJEJ-UHFFFAOYSA-N 445.541 2.443 0 40 IEAB CCOc1ccc(-c2nnc3n(Cc4ccccc4C)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 10970012 JQAGQGNVPDSHOQ-UHFFFAOYSA-N 430.468 2.493 0 40 IEAB COC(=O)C1CCN(C(=O)c2cc(N3C(=O)C(C)(C)CS3(=O)=O)ccc2Cl)CC1 12005441 SKTRODOLMXVHCY-UHFFFAOYSA-N 442.921 2.068 0 40 IEAB COc1ccc(CNC(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1OC 12006146 NVTMITVIIFPSMN-UHFFFAOYSA-N 432.498 2.336 0 40 IEAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c2ccccc2n2c(=O)n(CC(=O)NC(C)(C)C)nc12 12117656 RRBREKNIWJVLLT-CVEARBPZSA-N 440.548 2.060 0 40 IEAB Cc1nn(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)c2c1cnn2-c1ccc(F)cc1 12228314 KLZGALAINMERNT-UHFFFAOYSA-N 435.415 2.440 0 40 IEAB O=C(C[C@@H]1CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)n21)NCc1ccncc1 12233448 KPQYVEMZAJWCEM-MRXNPFEDSA-N 436.472 2.470 0 40 IEAB Cc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC(C)C)cn1 12527821 LCTJQSVAJFSLKJ-UHFFFAOYSA-N 433.534 2.126 0 40 IEAB Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1S(=O)(=O)N1CCOCC1 12557199 PDRIFDVDTRTVRO-UHFFFAOYSA-N 432.470 2.095 0 40 IEAB O=C(c1ccccc1N1CCCC1=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 13001287 DNMVBLNNLXRNRP-UHFFFAOYSA-N 445.516 2.489 0 40 IEAB CCN(C(=O)CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 13576235 URBAVDJJVSFDMH-VQCBNXJZSA-N 440.518 2.288 0 40 IEAB CC(C)C[C@@H]1N[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12 13591933 HFHPQUSKLVNKRO-IQEJQGIXSA-N 431.920 2.286 0 40 IEAB O=C([C@H]1CN(S(=O)(=O)c2ccc(Cl)s2)c2ccccc2O1)N1CCOCC1 14241385 HFMLMWYMHIOCKZ-CQSZACIVSA-N 428.919 2.217 0 40 IEAB CN(C)[C@@H](CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 14361134 WVFXQMWOXYALOT-QFIPXVFZSA-N 445.585 2.059 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CC[C@H](C)C3)c(=O)[nH]c1=O 14624436 HNYVMXVOLPSKBI-ZDUSSCGKSA-N 434.562 2.398 0 40 IEAB O=S(=O)(c1cccc2nsnc12)N1CCN(Cc2ccc(-n3cccn3)cc2)CC1 19078805 FPJPFRLMTFYORQ-UHFFFAOYSA-N 440.554 2.384 0 40 IEAB Cc1ccc(C2(CN3CCC(NC(=O)C4CCN(S(C)(=O)=O)CC4)CC3)CC2)cc1 19208336 YJEYTLRHXHKJGN-UHFFFAOYSA-N 433.618 2.279 0 40 IEAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(S(=O)(=O)c1ccc(F)cc1)C2 19708719 YRVFSPFFUKZCJJ-HNNXBMFYSA-N 447.536 2.130 0 40 IEAB CCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)C3 19962316 OTWIVIXWFCDGDZ-LBPRGKRZSA-N 439.468 2.433 0 40 IEAB CCOC(=O)C1CCN([C@@H](c2ccncc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 22697889 MZWHLFFOMAVPSH-NRFANRHFSA-N 429.517 2.268 0 40 IEAB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(N2CCCC2=O)cc1 22799520 QMZNRYFDCHMMAH-UHFFFAOYSA-N 436.512 2.298 0 40 IEAB Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1S(=O)(=O)Nc1ccccc1 22934951 DLRKNJHZSBRTJS-UHFFFAOYSA-N 430.574 2.163 0 40 IEAB Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)N[C@](C)(c2ccc3c(c2)OCCO3)C1=O 24097252 ZSXPVDMNDKOLRS-GAJHUEQPSA-N 426.469 2.282 0 40 IEAB COc1cccc(-n2cnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)c1 24415618 ZCIGAIGOGRROEX-UHFFFAOYSA-N 427.442 2.445 0 40 IEAB COCCN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 32664980 VRHZIQFGASSKGP-UHFFFAOYSA-N 435.933 2.499 0 40 IEAB CCn1c(Cc2ccc(Cl)cc2)nnc1[S@](=O)CC(=O)Nc1ccc(C(N)=O)cc1 35683100 GABKXXPMFMFHQF-PMERELPUSA-N 445.932 2.387 0 40 IEAB COCCN(Cc1ccccn1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 40158050 UPNGSMKQMKFSMO-UHFFFAOYSA-N 429.498 2.442 0 40 IEAB COC(=O)COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)OC)cc1OC 85874891 CHZQNUDYMAFKJG-WIYYLYMNSA-N 440.404 2.419 0 40 IEAB biogenic O=C(Cn1nc2c(cc1=O)CCCCC2)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 96345298 JGTVKPWQMPHQKI-UHFFFAOYSA-N 447.539 2.415 0 40 IEAB CC(=O)N1c2ccc(S(=O)(=O)NC[C@H](c3ccccc3)N3CCOCC3)cc2C[C@H]1C 105826938 KKWRJUOQXCPTEY-UZUQRXQVSA-N 443.569 2.336 0 40 IEAB COc1ccc(OC)c(N([C@@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1 220220890 APYSRDQQIDNHNA-INIZCTEOSA-N 435.546 2.111 0 40 IEAB Cc1c(NC(=O)[C@H](c2ccccc2)N(C)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 223605769 AMHZIRKCFWBVON-IBGZPJMESA-N 428.514 2.056 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 224221783 VELSKAAPEKXUTH-UHFFFAOYSA-N 434.539 2.447 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 249686466 GPYWZWZCCUUMRU-JNTCMIMUSA-N 434.876 2.250 0 40 IEAB CCc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C(C)C)s1 548545050 YXBWIDOWSDOBBU-WMZOPIPTSA-N 438.571 2.426 0 40 IEAB O=C(NCc1nccnc1-c1ccsc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 575619647 OGZWASRDKMXKCY-UHFFFAOYSA-N 444.538 2.156 0 40 IEAB NC(=O)c1cc(NC(=O)COC(=O)c2ccccc2CCc2ccccc2)cc(C(N)=O)c1 3442506 NQHVMINRZBGRNJ-UHFFFAOYSA-N 445.475 2.465 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCc3ccccc3C1)n2C 6147844 DRFYFRUSMBJNSK-UHFFFAOYSA-N 426.542 2.341 0 40 IEAB O=C(OCc1ccccc1)C1=NN[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 9191663 IXCBXTHFNJSSIN-HUUCEWRRSA-N 428.242 2.010 0 40 IEAB Cc1nc(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c2ccccc2n1 9255207 UNEXBCOYITUPOW-HOTGVXAUSA-N 435.571 2.225 0 40 IEAB COc1ccc(-c2noc(CN3C(=O)C(=O)N(CCc4cccs4)C3=O)n2)cc1OC 9429023 UPBGQTLHAKEHOL-UHFFFAOYSA-N 442.453 2.349 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(C(=O)c2cccs2)CC1 9591286 NNXWMCMETSIMSV-UHFFFAOYSA-N 433.555 2.131 0 40 IEAB COC(=O)C1=C(C(=O)c2ccc(F)cc2)[C@@H](c2ccc(OC)cc2OC)n2nnnc2N1 10232067 BOKFXABPTXKIQP-GOSISDBHSA-N 439.403 2.154 0 40 IEAB COc1ccc(-c2nnc3n(Cc4ccccc4C)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10968632 TXMBNFIVDPZCBR-UHFFFAOYSA-N 430.468 2.114 0 40 IEAB COc1cc2oc(=O)c(CC(=O)N[C@H](Cc3ccccc3)C(=O)O)c(C)c2cc1OC 11865666 DODDPFVBYWVNSM-QGZVFWFLSA-N 425.437 2.473 0 40 IEAB biogenic Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](C)Oc3ccccc3)CC2)c1 12445068 BSWQIQGWCPXRPT-IBGZPJMESA-N 431.558 2.031 0 40 IEAB O=C(NCCC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccc(Cl)cc1 12590826 NPEIDYCBALFJHJ-UHFFFAOYSA-N 434.968 2.007 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1cccc(OC(F)F)c1 12941511 SVBIJHGOUUSAMX-UHFFFAOYSA-N 432.470 2.300 0 40 IEAB COc1c(Br)c([C@H]2ON=C(C(N)=O)[C@@H]2C)c(Br)c2c1OCO2 15084102 ASNKBXGQJLOCGS-IGJIYHIXSA-N 436.056 2.498 0 40 IEAB Cn1c(=O)c2ccccc2n2c(COC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)nnc12 16330113 APKFNTLSTFHFSU-AWEZNQCLSA-N 441.488 2.272 0 40 IEAB O=C(NCc1cccs1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 17169769 PCTSYLXKWLTAIZ-KRWDZBQOSA-N 436.486 2.428 0 40 IEAB COc1cccc(CN2CCN(S(=O)(=O)c3cnc(-c4ccncc4)nc3C)CC2)c1 19552905 PJRQCFCDTOROFJ-UHFFFAOYSA-N 439.541 2.362 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccn1)CCC2 19706216 AWTHNKKQWZGFGE-OAQYLSRUSA-N 436.560 2.365 0 40 IEAB COc1ccc(NC(=O)C[C@H]2C(=O)N(CCN3CCOCC3)c3nc4ccccc4n32)cc1 19817462 MQOLPCZQINYPQO-NRFANRHFSA-N 449.511 2.294 0 40 IEAB CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20493412 HYCYKGNGGSZLTI-SFHVURJKSA-N 431.514 2.381 0 40 IEAB O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cccnc1N1CCCC1 22357626 URQGSKNIQYLQIY-UHFFFAOYSA-N 434.493 2.094 0 40 IEAB CC(C)Cn1c(CCC(N)=O)nnc1SCC(=O)NC(=O)NCCC1=CCCCC1 23329694 YCKBRCLWEWWLPG-UHFFFAOYSA-N 436.582 2.160 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 27088904 QHGWGNZUOHBWPZ-SFHVURJKSA-N 439.578 2.053 0 40 IEAB Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 28209582 KRWVLRSEQSCSFG-NRFANRHFSA-N 441.553 2.019 0 40 IEAB CCCCc1nnc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)s1 32989041 WZYSBGSYJZPWOI-UHFFFAOYSA-N 430.577 2.144 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 41157393 WDEZJAKRNITIMU-WOJBJXKFSA-N 444.553 2.447 0 40 IEAB COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1OC 43748972 RVWYEWJEJOBHEB-UHFFFAOYSA-N 448.541 2.430 0 40 IEAB O=C1N[C@]2(CCc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)NC[C@H]1CCCNC1 72334411 JHTWEIXKVHWHKG-RCSBWOJUSA-N 446.595 2.349 0 40 IEAB Cc1nn(C[C@H](C)C(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1C 72338889 SHCJSRAVPFONIN-QKKBWIMNSA-N 445.589 2.413 0 40 IEAB CC(C)N1CCC(CNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1 77200744 GSPBUSZSJHZVRL-UHFFFAOYSA-N 429.608 2.015 0 40 IEAB CCCN(CC(=O)NCCOc1ccc(OCC)cc1)S(=O)(=O)N1CCCCC1 78991098 MLKALQPPXMJYSW-UHFFFAOYSA-N 427.567 2.023 0 40 IEAB CCOc1ncc(C2(O)[C@@H]3CCC[C@@H]2CN(Cc2cnc(N(C)C)nc2)C3)c(OCC)n1 100149719 DGYFJUAVOVOJAD-QZTJIDSGSA-N 442.564 2.250 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C 222792826 NUKJTXQZVUZUEI-KRWDZBQOSA-N 430.526 2.373 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223654642 HGQLZVAMJSPALZ-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)n2)c1 223913677 RNGQXWGYLPBLJA-UHFFFAOYSA-N 428.470 2.133 0 40 IEAB CCOC(=O)c1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224892190 WJGFDDVXTIESMO-UHFFFAOYSA-N 434.470 2.190 0 40 IEAB Cc1n[nH]c(SCCNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)n1 225848063 FUQXGKBDJGFSOA-UHFFFAOYSA-N 443.554 2.387 0 40 IEAB O=C(CCN1C(=O)CCNC1=O)N1CCO[C@H](c2cccc(-c3c(F)cccc3F)n2)C1 257246119 ISOBCJWIHCMKSF-SFHVURJKSA-N 444.438 2.259 0 40 IEAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCN4CCCCC4)[C@H](O)[C@@]3(O)[C@@H]1C2 257297936 RJKVUIBMWLBHTK-CTPLVJPESA-N 430.545 2.199 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 260832406 JEMXPEYXHHUZKR-CABCVRRESA-N 434.514 2.498 0 40 IEAB Cc1ncsc1CN1CC[C@H]2C(N3CCN(C(=O)c4ccccc4)CC3)=NO[C@@H]2C1 306140442 UTUGCDBRRGZVBK-RTBURBONSA-N 425.558 2.444 0 40 IEAB Cc1ccc(Cl)cc1N1CCN(C(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)CC1 390827308 WSIKIDZBXNTLED-UHFFFAOYSA-N 437.935 2.409 0 40 IEAB O=C(c1cnc2ccccc2n1)N1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1775972123 BMCIUHPFFPLZCH-UHFFFAOYSA-N 442.405 2.439 0 40 IEAB O=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CCCCC2)n1)NC1CCCCC1 4144561 PBYDZFCXKMSOAZ-UHFFFAOYSA-N 445.516 2.293 0 40 IEAB COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(NC(=O)c4cncnc4)ccc(=O)n2C3)cc1 5441291 ONSZIDBWGBSADC-DOTOQJQBSA-N 445.479 2.159 0 40 IEAB biogenic,in-vitro CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)N(NC(=O)c2ccncc2)C1=S 9076092 BVUUEBMELJACCO-HNNXBMFYSA-N 431.905 2.226 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2cnc(C)cn2)NC(=O)N[C@H]1c1ccc(Cl)cc1 9644400 KNBZOVIQRJAEBC-KRWDZBQOSA-N 430.848 2.467 0 40 IEAB Cc1sc2ncn(CC(=O)N(Cc3ccccc3)[C@H]3CCS(=O)(=O)C3)c(=O)c2c1C 9873899 BKQZXFFSUPERLR-KRWDZBQOSA-N 445.566 2.291 0 40 IEAB CCOc1cc(C(c2c(O)cc(C)n(C)c2=O)c2c(O)cc(C)n(C)c2=O)ccc1O 10217722 YEPPGDABWVKHSV-UHFFFAOYSA-N 426.469 2.397 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc(C)n[nH]1 11658508 SIDVOXJDNJLNQL-UHFFFAOYSA-N 425.536 2.027 0 40 IEAB CCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC2CCCCC2)cc1 12137103 QWHLPVVUKHDQOL-GOSISDBHSA-N 447.557 2.166 0 40 IEAB COc1cc([C@@H]2CC(=O)c3c(C)nc(N4CCN(C)CC4)nc3C2)cc(OC)c1OC 12389273 GULMFRXEBYOSBJ-HNNXBMFYSA-N 426.517 2.475 0 40 IEAB Cc1ccc(NC(=O)CCC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 13057383 NHFCHSMPUCXJLA-UHFFFAOYSA-N 443.548 2.491 0 40 IEAB Cc1cc(OCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(C(C)C)cc1Cl 13109808 ONXVHQFBIPQXTP-UHFFFAOYSA-N 437.968 2.154 0 40 IEAB O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)N1CCC[C@@H]1c1nnc2ccccn12 14235277 IMXDQDRNSZJYTR-GOSISDBHSA-N 425.514 2.491 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(N(C)C)CCCCC3)CC2)cc1 17910699 GNGAUZVZGKDFGT-UHFFFAOYSA-N 437.606 2.477 0 40 IEAB Cc1cc(C(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c(C)n1-c1ccon1 21625038 YAXBTBKHSWYLJH-ZDUSSCGKSA-N 436.515 2.417 0 40 IEAB O=C(CCn1nc(-c2cccs2)oc1=O)OCc1cc(=O)n2cc(Cl)ccc2n1 21738606 QXTJPQTTYYKRFH-UHFFFAOYSA-N 432.845 2.360 0 40 IEAB CN1CCN([C@H](CNC(=O)C(=O)NCc2ccccc2Cl)c2ccc(F)cc2)CC1 22795969 ZYELUILOYUSAIG-HXUWFJFHSA-N 432.927 2.200 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)ccc1C 23509074 HUMBDXSUJDITSW-HDICACEKSA-N 425.595 2.255 0 40 IEAB COc1ccc([C@H]2CCCCCN2C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 24392594 ZAYPJAORIYIKPH-FXAWDEMLSA-N 447.557 2.304 0 40 IEAB COc1ccc(CN2CCN(CC(=O)Nc3oc(C)c4c(C)n[nH]c(=O)c34)CC2)cc1F 25815758 SMVSSGOUUUZFAC-UHFFFAOYSA-N 443.479 2.037 0 40 IEAB Cc1c(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)sc2nc3n(c(=O)c12)CCCCC3 25989449 OWICKHKKOXOWFN-UHFFFAOYSA-N 443.529 2.392 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(Cn3cncn3)cc2)s1 32909673 URIRPPGLMMTRHX-SFHVURJKSA-N 445.570 2.166 0 40 IEAB COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5c4ccc(OC)c5OC)[C@@H]3C[C@H]12 34366889 TTZWEOINXHJHCY-AYEVVIACSA-N 428.485 2.080 0 40 IEAB NC(=O)N1CCC[C@H](C(=O)N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)C1 40107836 DAJABYAQLVJANT-GOEBONIOSA-N 426.439 2.276 0 40 IEAB CN1C(=O)N(CC(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)C(=O)C12CCCCC2 48339877 PURNWENCVJUOPC-INIZCTEOSA-N 428.537 2.265 0 40 IEAB Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CCC(O)CC3)cc2c1 57589447 KPCKDYHXOQBFOJ-JOCHJYFZSA-N 430.512 2.417 0 40 IEAB COC(=O)c1ccc(NC(=O)CN2N=C(C(=O)Nc3ccc(F)cc3)CCC2=O)cc1 67336808 ZCLKXFKRYPSLCU-UHFFFAOYSA-N 426.404 2.168 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C(=O)NC1CCN(Cc2ccccc2)CC1 72403365 KDORLGPCOOENIO-FQEVSTJZSA-N 430.574 2.254 0 40 IEAB C[C@@H]1NC(C(=O)N(CCCN2CCOCC2)c2ccccc2)=NN(c2ccccc2)C1=O 89919820 RUXHLLTXECSPHX-IBGZPJMESA-N 435.528 2.080 0 40 IEAB CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)c2cnn3cccnc23)CC1 89929986 LECBWGHJOQUEBE-UHFFFAOYSA-N 427.530 2.221 0 40 IEAB COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)c(OC)c3)C2)sc1C 96231773 SOASISDLMTZTLK-CYBMUJFWSA-N 433.486 2.243 0 40 IEAB CC(C)(C)NC(=O)[C@H]1N(C2CC2)C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@]3(C)C=C[C@@]12O3 100431076 IBMQHRGDYFQPOV-SIGNIYTHSA-N 429.561 2.053 0 40 IEAB CCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)on3)CC2=O)cc1 138771577 GTTYFCKTFJYOID-MRXNPFEDSA-N 443.456 2.475 0 40 IEAB C[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220463153 KDORQHBIYXFAGJ-LBPRGKRZSA-N 436.440 2.486 0 40 IEAB Cc1ccc2c(c1)O[C@H](C(=O)NCC1(c3ccccc3)CCOCC1)CN2S(C)(=O)=O 224560709 OVILPWLVEYHQDD-NRFANRHFSA-N 444.553 2.387 0 40 IEAB Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c1 408615155 MRROAIJAKZOUPV-ROUUACIJSA-N 439.512 2.171 0 40 IEAB C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)[C@H]1Cc2ccccc2O1 585098192 RNBINVBJSAWKBS-IIBYNOLFSA-N 431.496 2.044 0 40 IEAB CC(=O)N1CCC(C(=O)N2CCC[C@H](COc3ncc(Br)cn3)C2)CC1 1775994987 BGUCWBIOTKAUFW-AWEZNQCLSA-N 425.327 2.115 0 40 IEAB COc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(C)(=O)=O)cc1Cl 622232 GQWVICLZZVYCOZ-UHFFFAOYSA-N 437.949 2.463 0 40 IEAB O=C1NC(=S)NC(=O)C1[C@@H](O)c1cc(Br)ccc1OCc1ccccc1 687983 ARDPYYLRZPLEGK-HNNXBMFYSA-N 435.299 2.209 0 40 IEAB O=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ccccn2)CC1 2655641 QUHXLIXSQODMRV-UHFFFAOYSA-N 432.521 2.358 0 40 IEAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1 3402134 WADSCDWLIVWWRL-UHFFFAOYSA-N 434.499 2.335 0 40 IEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 9536316 ONIAJMAHCFHWIL-OSPHWJPCSA-N 435.480 2.068 0 40 IEAB COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1S(=O)(=O)NC1CC1 9575435 NEEFMRHXABMOAL-AWEZNQCLSA-N 441.513 2.208 0 40 IEAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1 9660719 VWRBIVWLASIJFR-UHFFFAOYSA-N 434.427 2.393 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2cccc(C(=O)O)c2)c1 9662392 TXCOMAHSEIWNSR-UHFFFAOYSA-N 442.515 2.225 0 40 IEAB COc1ccccc1CC(=O)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 12758823 WCTREIYXUMDEIM-UHFFFAOYSA-N 445.541 2.166 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C[C@@H](C)O1 13042412 ZUNVUVFKFJFCCX-RTBURBONSA-N 443.569 2.447 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1ccc2c(c1)OCO2 13632714 HIWVLULETFJJIM-UHFFFAOYSA-N 440.518 2.370 0 40 IEAB O=C(CSc1nnnn1-c1ccc(F)cc1)CSc1nnnn1-c1ccc(F)cc1 15307026 HROSGPUNZNYZRP-UHFFFAOYSA-N 446.468 2.370 0 40 IEAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 15608661 QUOABLDKGCUMTE-INIZCTEOSA-N 445.541 2.488 0 40 IEAB Cc1ccc(CNC(=O)Cn2c(=O)n(Cc3ccc(F)cc3)c(=O)c3ncccc32)cc1 17041550 YMJVPZYJUDPVBG-UHFFFAOYSA-N 432.455 2.370 0 40 IEAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2c[nH]nc2-c2ccncc2)CC1)c1ccccc1 19459335 HBCSOVICNHFEPH-MRXNPFEDSA-N 425.514 2.108 0 40 IEAB CCOC(=O)N1CCC2(CC1)NC(=O)N(C1CCN(Cc3cccc(OC)c3)CC1)C2=O 19699549 FIZLEGNSWPJQLD-UHFFFAOYSA-N 444.532 2.203 0 40 IEAB CNc1nc([C@@H]2CCCN(C)C2)nc2c1CCN(S(=O)(=O)c1ccc(OC)cc1)C2 19708720 PQKIWLRNPVOUNI-OAHLLOKOSA-N 431.562 2.083 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1 20485443 ZDWVCIOAGTVLCU-INIZCTEOSA-N 428.514 2.352 0 40 IEAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 21867440 KSNOKCPVPLDVAP-UHFFFAOYSA-N 441.553 2.423 0 40 IEAB CCOc1ccc(NC(=O)C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 22229177 HLBBOPPLMZDXIK-UHFFFAOYSA-N 445.541 2.167 0 40 IEAB O=C(NCC(=O)N1CCN(Cc2nc3ccccc3s2)CC1)c1ccc2c(c1)OCO2 23882612 CJNMDFYPWINWSG-UHFFFAOYSA-N 438.509 2.099 0 40 IEAB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCN(CC(=O)NCc2ccccc2)CC1 28179575 DDNXGFVHPVGESO-IBGZPJMESA-N 431.540 2.496 0 40 IEAB C[C@@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1 32747055 INTPDOSGHBORMH-CQSZACIVSA-N 448.497 2.318 0 40 IEAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)c1ccccc1 32894318 VDYNVBCCBNNYKK-AWEZNQCLSA-N 443.463 2.365 0 40 IEAB NC(=O)c1c(NC(=O)COC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)sc2c1CCC2 32912289 XGSCSBYYBSZYCC-CQSZACIVSA-N 431.445 2.150 0 40 IEAB COc1cccc(COC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1OC 32990850 HQXMWXDCJUUMIQ-UHFFFAOYSA-N 441.527 2.072 0 40 IEAB Cc1cc(C)n(-c2ccc(CNC(=O)c3cccc(N4CCCS4(=O)=O)c3)cn2)n1 40145589 NZPMKANEGVCOGP-UHFFFAOYSA-N 425.514 2.354 0 40 IEAB CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)N1C(=O)c2ccccc2C1=O 44928627 NYCLTNOUBVLXHM-HXUWFJFHSA-N 434.496 2.088 0 40 IEAB Cc1cccc(C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)O)c1 95425411 GMPXYIQKDGJGOQ-KRWDZBQOSA-N 427.457 2.413 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3-c3ccc(=O)n(C)n3)n2)n1 96025150 OXARCYYGDUFVJZ-INIZCTEOSA-N 445.483 2.006 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)O[C@@H](C(=O)N(C)C)Cn2ccnc23)cc1 96243581 LFDVUZNHQWFLKF-LJQANCHMSA-N 446.573 2.174 0 40 IEAB COc1ccc(OCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 105052996 IJRDEENCDXIZMS-QGZVFWFLSA-N 448.541 2.300 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223566158 XHQMHZQTZWKHRG-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cccc(F)c1)S(C)(=O)=O 224579114 DTTAYUCXKXWYIX-QGZVFWFLSA-N 449.548 2.129 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCc2ccc(OC)c(OC)c2)cc1 225446337 YXNCWTNPZXDHFX-UHFFFAOYSA-N 436.530 2.082 0 40 IEAB CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 226402448 IRNJOXDPFSPIHX-VUGOTBQXSA-N 440.471 2.385 0 40 IEAB CCCCNC(=O)N1CC[C@@H](NCc2ccccc2)[C@]2(CC(C(=O)N3CCCC3)=NO2)C1 306133655 MSJLLACBIZQHRB-QPPBQGQZSA-N 441.576 2.498 0 40 IEAB O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccc4c(c3)OCO4)C[C@@H]1C2 306141622 WCEGGZIDLLWJSN-OALUTQOASA-N 431.496 2.241 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl 408588760 DXCOYMPLKYCAAB-HNNXBMFYSA-N 437.949 2.364 0 40 IEAB CCOc1ccc(NC(SCC(=O)N(CC)CC)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 409376726 ALGPJSMORKEDKL-UHFFFAOYSA-N 448.545 2.361 0 40 IEAB O=C(NCc1ccc(Cn2cccn2)cc1)C(=O)N(CCCO)[C@H]1CCc2ccccc21 559883075 WVWWGUUIBCDWJA-QHCPKHFHSA-N 432.524 2.446 0 40 IEAB COc1ccc(CCC(=O)N2CC[C@@H](N3C(=O)CNC3=O)C2)cc1OCc1ccccc1 575610965 QAFRWSGOXFHPEO-LJQANCHMSA-N 437.496 2.360 0 40 IEAB O=C1CCCN1CCCOc1ccc(CNC[C@@]2(O)CCN(c3ccc(F)cn3)C2)cc1 585271212 UONFVRMLUGWTAT-DEOSSOPVSA-N 442.535 2.343 0 40 IEAB COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C](CO)[C@@H](O)C(O)=C1O 1560406187 MXRUBCZJMZLZMN-DENIHFKCSA-N 443.384 2.122 0 40 IEAB CCCNC(=O)N1CCN2CC(=O)Nc3cc(-c4c(C)noc4C)ccc3OC[C@H]2C1 1772594575 MFRMOSSWBLADOT-QGZVFWFLSA-N 427.505 2.395 0 40 IEAB O=c1/c(=C/c2ccccc2)sc2n1CN(c1ccc(I)cc1)CN=2 2260460 LUPAAHUKIOXGDR-YBEGLDIGSA-N 447.301 2.398 0 40 IEAB COc1ccc(CCN2C(=O)[C@](NC(=O)CC(C)C)(C(F)(F)F)N=C2O)cc1OC 8682607 FQXPHPVPMZMOJZ-GOSISDBHSA-N 431.411 2.423 0 40 IEAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9502499 FGZQIXDKYCICRF-ROUUACIJSA-N 442.541 2.146 0 40 IEAB COc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N4CCCC4=O)nnc23)cc1 9616087 HMHKUSHUTRMCFK-UHFFFAOYSA-N 449.492 2.283 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)CN3CCCCCC3)cc2)c1 9781041 CWNRQBVZLFWZAH-UHFFFAOYSA-N 430.530 2.401 0 40 IEAB C[C@H]1CN(C(=O)COC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C[C@H](C)O1 10072633 ZMAXRYXOOIAMLZ-HOTGVXAUSA-N 432.498 2.280 0 40 IEAB COc1ccc(OC)c(NC(=O)C[C@@H](NCCc2ccc(OC)c(OC)c2)C(=O)O)c1 10186423 VLWKNHBHCIEIHU-QGZVFWFLSA-N 432.473 2.335 0 40 IEAB CCCc1cnc2c(c1SCC(=O)NCc1ccc(F)cc1)c(=O)n(C)c(=O)n2C 10216740 DQTWZTIAKINPEP-UHFFFAOYSA-N 430.505 2.132 0 40 IEAB C[C@H](OC(=O)c1sccc1S(=O)(=O)NC1CC1)C(=O)Nc1ccc2c(c1)OCO2 10563950 PPXPMWUYAKHDJQ-JTQLQIEISA-N 438.483 2.102 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 11083631 XWGPYHVKMUEMLK-UHFFFAOYSA-N 426.542 2.431 0 40 IEAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(C(=O)CC2CCCC2)CC1 12229984 KXBDLGZMFACLPF-UHFFFAOYSA-N 429.546 2.260 0 40 IEAB COc1ccc(C)cc1N1C[C@H](C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)CC1=O 12750960 SDGNONKNMRZPEU-QGZVFWFLSA-N 446.525 2.350 0 40 IEAB O=C(NCc1ccccc1OC(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1 12825811 DIFHVPDSITUUGR-UHFFFAOYSA-N 426.441 2.239 0 40 IEAB COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 13504231 IWKYMFKIHNPHHE-GOSISDBHSA-N 430.896 2.113 0 40 IEAB O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1ccc(Cl)cc1 15823696 IJYCTZAKYODEGS-UHFFFAOYSA-N 448.976 2.448 0 40 IEAB NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCc2cc(-c3ccccc3)on2)c1 19294469 KKQMTENUXNVUSL-UHFFFAOYSA-N 443.481 2.183 0 40 IEAB CN1c2ncccc2C(=O)N[C@H]1c1cccc(NC(=O)Cn2ncc3ccccc3c2=O)c1 19590948 ROBDQBRAHXAKHO-OAQYLSRUSA-N 440.463 2.309 0 40 IEAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3OC)cc2)CCN(C(=O)c2ccc(=O)[nH]n2)C1 19591549 HFUCLGZNKJSBHV-VWLOTQADSA-N 446.507 2.267 0 40 IEAB Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1 19759785 BUAHNWPCAWNDPC-LJQANCHMSA-N 440.525 2.278 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(CN(C)C(C)=O)cc(N(C)C)n2)cc1 19760784 PVNKIKIIHPNLSA-IBGZPJMESA-N 447.561 2.055 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)CC1 20061623 ZPJZPMZOIAXDGH-UHFFFAOYSA-N 437.562 2.474 0 40 IEAB O=C(CN1CCN(CC(=O)N2CCCC2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 21866984 WAOVQPWTASKIQY-UHFFFAOYSA-N 449.555 2.117 0 40 IEAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1 28241446 KIWNMTIIGZFUKZ-MRXNPFEDSA-N 432.498 2.491 0 40 IEAB O=C(Cn1nc(O)c2ccccc2c1=O)Nc1cc2c(cc1Br)OCCO2 28730698 GLBMYTPMYUQHOP-UHFFFAOYSA-N 432.230 2.275 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Sc1ccccc1N 35327239 HVVPGJBZOQULHQ-UHFFFAOYSA-N 441.962 2.454 0 40 IEAB Cc1noc(C)c1CCC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)CC1 42382395 JOLCSCPXLAHCAM-MOPGFXCFSA-N 425.485 2.427 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2nc3nc(Nc4ccccc4)ccn3c2=O)cc1 57507235 OCXYDVPDZFYDAY-UHFFFAOYSA-N 432.440 2.450 0 40 IEAB COC(=O)c1cnc(N[C@@H]2CCCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1 58394152 XVMZYYPCCYVZJT-GOSISDBHSA-N 431.514 2.379 0 40 IEAB O=C(Cn1ncn2nc(-c3ccc(Br)cc3)cc2c1=O)NCc1ccco1 67197356 XQCCHTYSYOECKB-UHFFFAOYSA-N 428.246 2.230 0 40 IEAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCCN(Cc3cn4cc(Cl)ccc4n3)CC1)CS2 72292931 YLLGNBZSWWZMGK-LAUBAEHRSA-N 447.992 2.476 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N([C@H](C)C(=O)N3CCCC[C@H]3C)CC1)NC2=O 72327501 BWWVXQTZMWKGBK-LNPFQXMTSA-N 429.517 2.316 0 40 IEAB CS(=O)(=O)c1cnc(N2CCCC2)nc1C1CCN(C(=O)c2cc(C3CC3)on2)CC1 72335908 FRAFACQWGPEZDR-UHFFFAOYSA-N 445.545 2.366 0 40 IEAB Cc1nn(CCC(=O)N2CCC([C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1C 72338844 YUTSBQRJORNXRW-OAQYLSRUSA-N 431.562 2.167 0 40 IEAB COc1cc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)cc(OC)c1OC 72392479 KBZBTACHTGCUIB-UHFFFAOYSA-N 427.548 2.347 0 40 IEAB CCOc1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5cc(O)ccc5[C@H]4[C@@H]3C2=O)cc1 101373630 ILZMDKUUNVHAOI-BQFCYCMXSA-N 438.461 2.269 0 40 IEAB COCCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 113935779 KOLFMVIXOPINGV-UHFFFAOYSA-N 440.493 2.191 0 40 IEAB COc1ccc(N([C@H](C)C(=O)NCc2ccccc2-n2ccnc2)S(C)(=O)=O)cc1 216357750 QTPNMOYBUGKBQR-MRXNPFEDSA-N 428.514 2.352 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)CCCN2C(=O)c3ccccc3S2(=O)=O)cc1 219442118 ITRUZYBFHLASLN-HNNXBMFYSA-N 432.498 2.204 0 40 IEAB Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)C(C)C)s3)n2)c1 223754908 YSBTVTRHROIUHC-UHFFFAOYSA-N 436.519 2.312 0 40 IEAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1Cl 223831735 HPGKWPYJWDNHDS-UHFFFAOYSA-N 438.889 2.400 0 40 IEAB COc1ccc(Cc2cc(C)nc([C@H]3CN(C(=O)Cn4nc(C)ccc4=O)CCO3)c2)cc1 257224672 FCVCEPSBSNXHCV-HSZRJFAPSA-N 448.523 2.455 0 40 IEAB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)CC1 408558427 RSJGEHQXINSZFR-UHFFFAOYSA-N 447.513 2.410 0 40 IEAB CCC(=O)N1CCCN(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 545950012 FCZCVAUSRXFTLY-INIZCTEOSA-N 440.466 2.460 0 40 IEAB COc1ccc(CNC(=O)N2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1OC 575616035 NVPNMBHHEZRDCA-UHFFFAOYSA-N 443.426 2.165 0 40 IEAB Cc1noc(C)c1CC(=O)N1CCCN(c2ccc3nnc(-c4cccnc4)n3n2)CC1 1775973968 UPZMKJQGPDIDBG-UHFFFAOYSA-N 432.488 2.073 0 40 IEAB O=C(NCc1ccon1)[C@@H]1C[C@@]2(CO1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 2056226493 SHTCMMFYXIKYAB-HKUYNNGSSA-N 425.407 2.370 0 40 IEAB CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H](C)c3cnn(CC)c3C)C2)c(C)n1 2808126 UYLOKVBCKFKKHH-PBHICJAKSA-N 436.582 2.014 0 40 IEAB O=C1N[C@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1Cc1ccco1 3626783 MAVKLWBXIVDCOG-CQSZACIVSA-N 437.783 2.222 0 40 IEAB COC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc(Cc2ccc3c(c2)OCO3)c1C 9390669 RAQSGODDORYBRV-UHFFFAOYSA-N 444.465 2.250 0 40 IEAB Nc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)[nH]c(=O)c1NC(=O)c1ccccc1 9518029 WZZRCKPUGXQVNI-UHFFFAOYSA-N 439.453 2.064 0 40 IEAB O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)c1c[nH]c(C(=O)N2CCCC2)c1 9721385 VXLGHJXSZKRSTC-NRFANRHFSA-N 426.498 2.279 0 40 IEAB COC(=O)c1ccc([C@@H]2[C@@H](C(=O)OC(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)cc1 12660947 CZCYWGTVNNUEQB-GKAYAJSDSA-N 434.485 2.416 0 40 IEAB CC(=O)N[C@H](CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)c1ccccc1 12762254 KSYOJUJKUJZQFO-OAQYLSRUSA-N 426.492 2.176 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)cc2)C[C@@H](C)O1 12789106 WBSIILCOPKVMBO-STXHMFSFSA-N 444.509 2.205 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccnn2C(C)C)ccc1Cl 12794592 YNCSNMNMGUJXPW-NSHDSACASA-N 428.898 2.210 0 40 IEAB COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1 13085106 CNAIEAGFKKNPAE-QFIPXVFZSA-N 437.540 2.472 0 40 IEAB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3OC)CC2=O)cc1 13517198 VGBLWLKHHRPKPI-HNNXBMFYSA-N 426.425 2.017 0 40 IEAB Cc1cccc(C)c1-n1nnnc1C1(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)CCCCC1 13592550 KONMQGRNBLAWEG-FGDDKPPBSA-N 449.511 2.305 0 40 IEAB O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1Cc1nnc(-c2ccc(Br)cc2)o1 14180501 OLJAHHHTRKQLPM-AWEZNQCLSA-N 437.225 2.319 0 40 IEAB Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)NC(=S)N=C1O 17722291 QOSLEMFLADWGKV-MRXNPFEDSA-N 445.504 2.020 0 40 IEAB COc1ccc(CN2CCc3nc(N4CCOCC4)nc(O)c3CC2)cc1OC(C)C 19450497 SIJJJVNXCPINPE-UHFFFAOYSA-N 428.533 2.415 0 40 IEAB CC(C)c1nc(-c2cccnc2)ncc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 19463457 PBMKZUGBXKALJQ-DOTOQJQBSA-N 429.546 2.151 0 40 IEAB COc1ccc(S(=O)(=O)N2CCO[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)cc1C 19762148 VGLGDUQWHBKRCK-NRFANRHFSA-N 441.509 2.413 0 40 IEAB CCn1ccc(C(=O)N2CCO[C@@H](c3cc(C(=O)N4CCOCC4)c4ccccc4n3)C2)n1 19762753 ACMRSIORNREMSN-JOCHJYFZSA-N 449.511 2.137 0 40 IEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 20245722 WHWIMWLALSKPHL-UHFFFAOYSA-N 430.530 2.418 0 40 IEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)Nc1ccc(C(=O)N(C)C)cc1)(C3)C2 21281234 ZDTGXFFYZGSROG-UPFYTXMWSA-N 441.528 2.345 0 40 IEAB COc1ccc(CN(CCN2CCOCC2)Cc2cccnc2)cc1CN1CCOCC1 22931403 FSJALQGMVXXGQT-UHFFFAOYSA-N 440.588 2.257 0 40 IEAB CC(=O)Nc1cccc(-n2c(SCC(=O)NC(=O)c3cccn3C)nnc2C2CC2)c1 23139553 CWFGQIJSFJBBRQ-UHFFFAOYSA-N 438.513 2.490 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1Br 23245419 JCBATKMCKCFRRE-UHFFFAOYSA-N 435.321 2.214 0 40 IEAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(Br)cc1 23261390 VRBDTWRHNYUUGQ-LLVKDONJSA-N 433.349 2.478 0 40 IEAB CN(CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccccc1N1CCOCC1 23763403 FSWIRBZMDJPXQW-UHFFFAOYSA-N 428.602 2.361 0 40 IEAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 36383368 YWNXLQPQTASZEI-GAJHUEQPSA-N 435.524 2.487 0 40 IEAB CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 44872302 HMYKLFUJUMRVKK-UHFFFAOYSA-N 430.574 2.455 0 40 IEAB COC(=O)C[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc(OC)c(OC)c1 48312920 KTHPFTGECVKZMV-ROUUACIJSA-N 447.532 2.352 0 40 IEAB Cc1cccc(NC(=O)Cn2c(=O)n(CC(=O)NC(C)C)c(=O)c3oc4ccccc4c32)c1 67350133 SPTQZWLMYZFLAE-UHFFFAOYSA-N 448.479 2.381 0 40 IEAB Cc1ccccc1OCCC(=O)N(C)Cc1nc([C@H]2CC(=O)N(C)C2)cc(N(C)C)n1 72352051 MXJHLHOGMBPSGW-KRWDZBQOSA-N 425.533 2.224 0 40 IEAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 78597137 TVZQAYRNEAWXIC-SFHVURJKSA-N 439.537 2.388 0 40 IEAB COCCN1CC2(CCN(Cc3ccccn3)CC2)COc2ccccc2S1(=O)=O 96037177 MQYPFVLKYLIZJT-UHFFFAOYSA-N 431.558 2.394 0 40 IEAB Cc1cc(NC(=O)Cn2c(=O)/c(=C/c3cccs3)s/c2=C/C(=O)C(C)(C)C)no1 96838995 TZPHGUPWRMJYJR-XYZJYNETSA-N 431.539 2.131 0 40 IEAB CCOc1cc(/C=c2/s/c(=C\C(=O)Nc3ccccc3OC)[nH]c2=O)ccc1OC 105627173 YVCODUWERGUCBE-VVPWPQJISA-N 426.494 2.100 0 40 IEAB C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)N(CC(F)(F)F)[C@H](C)C1CC1)C2=O 108848550 PSAVKVASRZKACH-QUJCMNEKSA-N 447.454 2.220 0 40 IEAB CCOc1cccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1 113939476 PXBYPLLJJCKOCI-UHFFFAOYSA-N 434.514 2.045 0 40 IEAB COc1ccc(CCNC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 222670402 TYJLXMDHGRUHEZ-UHFFFAOYSA-N 448.541 2.372 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)CCN(C)c3cccc(OC)c3)C2)nc2c1CCN(C)C2 257223898 DZKFTQKFDODOCL-KRWDZBQOSA-N 438.576 2.357 0 40 IEAB CCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[C@@H](N4CCOCC4)[C@@H]3O)[nH]n2)cc1 257273409 NGLRIMJNPZPBRA-YPAWHYETSA-N 428.533 2.162 0 40 IEAB O=C1c2ccccc2C(=O)N1CSc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1 408541918 GMUSBQNHFLLEDE-UHFFFAOYSA-N 448.508 2.220 0 40 IEAB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(CC(=O)O)c3ccccc23)C1=O 409236655 STDZWYRYKMVYCZ-LICLKQGHSA-N 448.435 2.266 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 409324756 VIKAKLCJTVIELL-UHFFFAOYSA-N 433.530 2.084 0 40 IEAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 681676993 FETBXPLBDJOZNK-JOCHJYFZSA-N 425.510 2.172 0 40 IEAB Cn1c(=O)c2c(nc3n(Cc4ccc5c(c4)OCO5)c(-c4ccccc4)cn23)n(C)c1=O 717011 OQHDIKZJUCEBTH-UHFFFAOYSA-N 429.436 2.130 0 40 IEAB O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)CO[C@H]12 4222827 VSTCYWAGQGXSGJ-BSDSXHPESA-N 438.889 2.402 0 40 IEAB biogenic,in-vitro CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)NC[C@H]2CCCO2)nc1 7225046 BXGPGVYMZXKELQ-MRXNPFEDSA-N 427.592 2.422 0 40 IEAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2cccc(C)c2C)c(=O)c3=O)cc1 8849386 ZBUGASJKCFVVAB-UHFFFAOYSA-N 435.484 2.211 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2cc(C)ccc2C)cc1 8881081 XXZUYTLEWLORHF-UHFFFAOYSA-N 432.498 2.356 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1 9494214 CCLHTNIMQPXYAT-VOMPUTFMSA-N 436.489 2.122 0 40 IEAB CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)Nc1ccc(OC)cc1OC 9724543 XEKIUSYYPJZWSU-UHFFFAOYSA-N 436.534 2.437 0 40 IEAB COc1ccccc1[C@H](C)NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 10275075 VAHOTGGMFUAVBC-AWEZNQCLSA-N 439.559 2.338 0 40 IEAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)CN1C(=O)c2ccccc2C1=O 12996813 RLQMEZLTUVPBLQ-UHFFFAOYSA-N 433.386 2.233 0 40 IEAB Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)c1ccco1 13040482 ZLYRUEXLORUWCT-UHFFFAOYSA-N 427.482 2.460 0 40 IEAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(S(C)(=O)=O)cc1 15198260 HVPGQECMWCZXBY-OAHLLOKOSA-N 436.555 2.366 0 40 IEAB Cc1cc(NC(=O)CSc2nc(C3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)no1 17025637 KWOFHILAPFGHLE-UHFFFAOYSA-N 444.517 2.102 0 40 IEAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)on1 19122067 IALJNIKWUDYOJL-AEFFLSMTSA-N 427.505 2.162 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@H]3CCCN3C(=O)[C@H]3CC=CCC3)[nH]c2=O)C1 19404954 KFNMUIFFUZOTLH-OXJNMPFZSA-N 433.512 2.383 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3cccc(F)c3)CC1)C2=O 19699316 ZENBQUITQNWZRI-UHFFFAOYSA-N 430.524 2.156 0 40 IEAB CN(Cc1cc(N(C)C)nc([C@H]2CCCCN2)n1)C(=O)CCn1c(=O)oc2ccccc21 19709882 ZYIBKYIAOYGUGD-QGZVFWFLSA-N 438.532 2.314 0 40 IEAB COc1cccc(-n2ccn(CC(=O)Nc3ccc(Br)cc3)c(=O)c2=O)c1 20489010 LJZRFWXQPTZAJH-UHFFFAOYSA-N 430.258 2.409 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(Cc3ccccc3)CC2)N[C@H]1c1ccc(F)cc1 20674676 FXLXXRLTQAYOKT-RTWAWAEBSA-N 438.503 2.350 0 40 IEAB CCCc1noc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 32905849 NGPFBIHQCCEDKT-UHFFFAOYSA-N 432.955 2.203 0 40 IEAB O=C(COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)Nc1ccccc1O 32923997 YFDLXGPSGSKIEA-AWEZNQCLSA-N 436.461 2.114 0 40 IEAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)N[C@]3(C)CCS(=O)(=O)C3)nc2n1 32970985 RLJSHAUYRVNDAN-HXUWFJFHSA-N 445.570 2.340 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2c(=O)n(CCCOC)c(=O)c3ccccc32)cc1 44840926 NVBXKTFSHJFLCZ-UHFFFAOYSA-N 439.468 2.015 0 40 IEAB O=c1n(CCOc2ccc(F)cc2)nc2ccc(S(=O)(=O)N3CCCCCC3)cn12 49408016 HBWVRNNAMVNUAI-UHFFFAOYSA-N 434.493 2.279 0 40 IEAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(OC)c(Br)cc2OC)C1 54363080 UPAHSWQKMYFAJZ-LLVKDONJSA-N 436.324 2.430 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)n2nnc(-c3ccc(Br)cc3)n2)CC1 57485078 LDQBNTGRWGYUCV-GFCCVEGCSA-N 436.310 2.465 0 40 IEAB Cc1ccc2c(c1)N[C@]1(CCC(=O)N([C@H](C)C(=O)NCCc3ccncc3)CC1)NC2=O 72327960 ORMUKBBZVXXBID-MZNJEOGPSA-N 435.528 2.002 0 40 IEAB Cc1ccccc1-c1cccc(C[C@H]2C(=O)NCCN2C(=O)COCCN2CCCC2=O)c1 72351924 FUVJPTUESZVGKF-QHCPKHFHSA-N 449.551 2.171 0 40 IEAB COc1cccc([C@@H](CNS(=O)(=O)Cc2cc(F)cc(F)c2)N2CCOCC2)c1 77200659 LAQKTUCPVRZUHA-HXUWFJFHSA-N 426.485 2.466 0 40 IEAB CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)CS(=O)(=O)Cc1ccccc1)n2C 101142311 KNLHOVZXJLJRDI-QZQOTICOSA-N 432.523 2.459 0 40 IEAB C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCO2 222722460 QWRNQBLRHSKZPJ-INIZCTEOSA-N 446.525 2.111 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223626944 OGSXKMIFRTVMQP-LJQANCHMSA-N 445.585 2.477 0 40 IEAB COc1cccc(OCCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)c1 224187719 POZRJGFBNKZUPG-UHFFFAOYSA-N 435.546 2.120 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225679518 KYYJWASYSWBODP-UHFFFAOYSA-N 438.483 2.205 0 40 IEAB CC(=O)N(C)[C@H]1CC2(CCN(C(=O)c3cc(-c4ccccc4F)no3)CC2)OC[C@]1(C)O 257298520 RMBNXKAXJIEKIH-UNMCSNQZSA-N 445.491 2.474 0 40 IEAB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cc(C)on2)cc1 408666767 PLMYRKANIPBWLH-UHFFFAOYSA-N 431.445 2.841 0 40 IEAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCC(S(=O)(=O)N4CCCC4)CC3)C2)cc1 506522831 ROYIKGPIULJWDZ-HXUWFJFHSA-N 447.601 2.264 0 40 IEAB CC(=O)NCCNC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O 524729782 JETDNWJUZKXQNM-OAHLLOKOSA-N 438.436 2.002 0 40 IEAB biogenic O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCN(c2ncnc3ccsc23)CC1 607529759 AMSZBOCQDMTZNV-UHFFFAOYSA-N 443.554 2.094 0 40 IEAB CN1CCC([C@@H]2CCN(C(=O)NCc3ccc(CN4CCC(C(N)=O)CC4)cc3)C2)CC1 1673653776 WRMXCQCZYIPSAF-HSZRJFAPSA-N 441.620 2.257 0 40 IEAB O=C1C[C@H](N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C(=O)N1c1ccccc1 2648183 SBYJDWPPHNNMSW-QFIPXVFZSA-N 449.532 2.478 0 40 IEAB O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)N1CCN(c2ccccc2Cl)CC1 3441324 ZZTUKZODQBFBPW-HSZRJFAPSA-N 438.915 2.382 0 40 IEAB CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 9552551 CEIXZBRNSKTRGL-CYIWUNGXSA-N 448.497 2.325 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 9569978 NJWXNLCXBDFXIR-UHFFFAOYSA-N 425.913 2.361 0 40 IEAB CCOc1ccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC2CCCCC2)cc1 12137102 QWHLPVVUKHDQOL-SFHVURJKSA-N 447.557 2.166 0 40 IEAB O=C(CCN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)Nc1ccccc1F 12746857 NIOSHDPTSZKVBI-UHFFFAOYSA-N 427.448 2.439 0 40 IEAB CCCc1nnc(SCC(=O)N[C@@H](c2ccccc2)c2nccn2C)n1CC(=O)O 13402635 RPFGMEJDBNVYPD-SFHVURJKSA-N 428.518 2.047 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc(-n2cnnn2)c1 13591637 ZZIZEUFPLLWFCW-UHFFFAOYSA-N 440.529 2.408 0 40 IEAB O=C(Nc1ccc(Cn2cncn2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 13732962 AMSVMQKXFQTAOM-UHFFFAOYSA-N 425.514 2.366 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2)cc1 14242932 XVVFFOGGHULMNM-GOEBONIOSA-N 432.498 2.435 0 40 IEAB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 15879401 INKQCUNMKHJZHF-UHFFFAOYSA-N 436.559 2.238 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 15925228 SEBCEGBBYLOLNC-UHFFFAOYSA-N 427.526 2.269 0 40 IEAB CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 18006087 ZMHLNZPIDQHJRR-AWEZNQCLSA-N 427.432 2.047 0 40 IEAB COc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)cc1C 19744197 BJGKFSWSLDPSHS-MRXNPFEDSA-N 430.530 2.455 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(-n3ccnc3C)cc2)Oc2ccccc21 20037325 QHHSTWCKRDCCQU-NRFANRHFSA-N 440.525 2.414 0 40 IEAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(CN2CCOC2=S)CC1 23605057 NOIVLEYQWIKMLB-UHFFFAOYSA-N 443.900 2.240 0 40 IEAB COc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc4c(c3)OCO4)[C@@H]2C(=O)C(F)(F)F)cc1 27754035 PQRKJNKIHJNOFV-GPMSIDNRSA-N 438.358 2.371 0 40 IEAB COc1ccc(-n2ncc3c2N=C(O)C[C@]32C(=O)N(CC(N)=O)c3ccc(C)cc32)cc1 32100128 VBWGGAPBTXMVRD-HSZRJFAPSA-N 431.452 2.299 0 40 IEAB O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1sccc1-n1cccc1 32898836 BPSNXKDIOKTLPY-UHFFFAOYSA-N 431.539 2.490 0 40 IEAB C[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1ccc(C(C)(C)C)cc1 32910499 IHUVLHNNCLZNMF-CQSZACIVSA-N 431.514 2.352 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@H]2CCCO2)Cc2ccccc2)cc1OC 33647906 ICRNJRKWZKCJMV-GOSISDBHSA-N 448.541 2.190 0 40 IEAB CCSc1nc2ncc3c(=O)n(-c4cc(C(=O)OC)cc(C(=O)OC)c4)ccc3n2n1 38783762 FEADKHZVFAPUHI-UHFFFAOYSA-N 439.453 2.114 0 40 IEAB COc1ccc(-c2c3c(=O)n(NC(=O)c4ccncc4)ccc3nc3nc(C)nn23)cc1 38828803 GPLXBTMSLMDUAU-UHFFFAOYSA-N 427.424 2.202 0 40 IEAB CN(C)[C@@H](CNC(=O)c1nccc2c(S(N)(=O)=O)cccc12)c1c(F)cccc1F 95454037 ITHPAXLMGAKPFI-INIZCTEOSA-N 434.468 2.193 0 40 IEAB CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(C(=O)N4CCCCC4)CC3)C2=O)cc1 100176619 AKBZNUZONBETCG-FQEVSTJZSA-N 441.528 2.220 0 40 IEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2cccc(CN3CCOCC3)c2)c1 108037416 BRMZHWHIDNIIEP-UHFFFAOYSA-N 438.933 2.437 0 40 IEAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCCN1CCOCC1 219160018 DDPZXIBRSUHQCW-UHFFFAOYSA-N 429.542 2.009 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 220563201 RJZZDMPJCWGTLA-SFHVURJKSA-N 425.551 2.149 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222990816 LQFMLTWHNJFXTC-FQEVSTJZSA-N 449.548 2.454 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](C)COc2ccc(C)cc2)cc1N1C(=O)CCC1=O 224974048 RQSNATNYJNWWIO-OAHLLOKOSA-N 432.498 2.403 0 40 IEAB Cc1nc2sc3c(c2c2nn(CC(=O)N4C[C@H](C)O[C@@H](C)C4)c(=O)n12)CC[C@@H](C)C3 230034657 SSJXMSNWGJMNFN-AGIUHOORSA-N 429.546 2.175 0 40 IEAB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408662817 PPVIJDUFZGQBTG-YDOWWZDFSA-N 449.301 2.270 0 40 IEAB CCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC 408697468 JOYZWIASBKOZKX-UHFFFAOYSA-N 436.530 2.373 0 40 IEAB O=C(NCC1(c2cccc(Cl)c2)CC1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508434347 XLTIKQWQROBLJC-SFHVURJKSA-N 441.981 2.208 0 40 IEAB NC(=O)N1CCc2cc(NC(=O)[C@H]3CCCN(C(=O)c4ccc5n[nH]cc5c4)C3)ccc21 512215868 LJLRMNAMLFWCNY-INIZCTEOSA-N 432.484 2.495 0 40 IEAB CN(C1=NS(=O)(=O)c2ccccc21)C1CCN(Cc2nnc(C(F)(F)F)o2)CC1 1888930508 OCRHWFATXOLJCT-UHFFFAOYSA-N 429.424 2.134 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)O 2160580 XWTBWTYTBHPUJU-FIKIJFGZSA-N 442.468 2.430 0 40 IEAB biogenic Cc1c(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)oc2ccc(Br)cc12 3432464 AVFMWWGWEVFCQU-GFCCVEGCSA-N 444.303 2.306 0 40 IEAB CN(C)CCCNC(=S)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 6198526 IROZLULHMBGFRW-QGZVFWFLSA-N 446.573 2.064 0 40 IEAB O=C(NCCCO)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1 8934196 QFISAMYTQFIFNV-XYOKQWHBSA-N 437.246 2.040 0 40 IEAB CCOc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c1OCC(=O)O 9235852 VBSYJZFDQYPMLD-XNTDXEJSSA-N 434.470 2.207 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1 9448541 KDIQNAFMXDQUKM-UHFFFAOYSA-N 442.493 2.014 0 40 IEAB O=C(CS(=O)(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12)NC1CCCC1 9519711 AWJRLXPUTZHZLK-UHFFFAOYSA-N 431.558 2.486 0 40 IEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@@H](C(=O)OC)[C@H]1c1ccc(C(=O)OC)cc1 12402738 DHTOEOYYVHNGHH-VQTJNVASSA-N 429.469 2.065 0 40 IEAB CC(C)CCNC(=O)[C@H](c1ccncc1)N(CCCO)C(=O)[C@H]1COc2ccccc2O1 12471785 FVOFXSUWXMSIPO-YADHBBJMSA-N 441.528 2.336 0 40 IEAB CCOC(=O)N1CCN(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1 12768805 BIECFBWAEDNCNB-UHFFFAOYSA-N 428.489 2.006 0 40 IEAB CCOC(=O)[C@@H]1CN(S(=O)(=O)c2cccs2)c2cc(S(=O)(=O)CC)ccc2O1 12859827 GRUAZVKGZSHIGA-HNNXBMFYSA-N 445.540 2.061 0 40 IEAB COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)N1CCN(c2ccccc2OC)CC1 13582951 QALVXNANNAJIHM-UHFFFAOYSA-N 433.530 2.062 0 40 IEAB CCN(C(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 14240873 JRZBBVKAURTIDX-GOEBONIOSA-N 445.570 2.332 0 40 IEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nn3cnc4ccccc4c3=O)cc2)C1 14604696 UCGAXQFUWGOAJC-IYBDPMFKSA-N 440.525 2.447 0 40 IEAB O=C(CCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O)N[C@@H](Cc1ccccc1)C(=O)O 16478727 IGULETHZKTWAKE-BGYRXZFFSA-N 440.496 2.171 0 40 IEAB Cc1ccc(-n2nnc3c(N4CCN(S(=O)(=O)c5cccs5)CC4)ncnc32)cc1 16838931 HDKGZMULAUHURG-UHFFFAOYSA-N 441.542 2.091 0 40 IEAB C[C@@H](NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1 19357537 YKAVPVZCAOEBRJ-DFHORSDUSA-N 444.528 2.178 0 40 IEAB COCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)cc(=O)[nH]2)CC1 19592750 JLDBALWWKCJRCY-LJQANCHMSA-N 444.576 2.409 0 40 IEAB Cc1nccn1C[C@@H]1CCCN(C(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)C1 19708147 BYTPDJMJJQPDLG-SFHVURJKSA-N 445.589 2.278 0 40 IEAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cc(C)nc(N)n2)O[C@@H](c2cc(F)cc(F)c2)C1 19712383 DUDBFTIUROVRRB-YQVWRLOYSA-N 433.459 2.190 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)c3cccc(N(C)C)c3)C2)ncc1C(=O)N1CCOCC1 19764116 PXTVLNBLWALCFV-IBGZPJMESA-N 437.544 2.343 0 40 IEAB C[C@@H](C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)c(N)n2)CC1)N1CCCC1=O 19765908 WATCMIGOQPDCNG-HNNXBMFYSA-N 427.549 2.053 0 40 IEAB COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCN2C(=O)c2cnn(C)c2)cc1 19767271 QCLNDYZOCZOVPB-HXUWFJFHSA-N 434.500 2.434 0 40 IEAB Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)N[C@@H](C)CN1CCOCC1 20028553 GKGXSGSJEPLFJW-JTQLQIEISA-N 427.265 2.200 0 40 IEAB COc1cccc(CCCNC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1 22333495 VFZLEGHHMKGFIU-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 24985588 WEVCZSZWZIICBR-HIFRSBDPSA-N 432.420 2.406 0 40 IEAB C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCC[C@H](C(F)(F)F)C1 36476259 HEFXRTINFPMTAU-CVEARBPZSA-N 433.496 2.182 0 40 IEAB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)CC2)c(C)o1 48290093 YRAPZESZAFXEDE-UHFFFAOYSA-N 440.500 2.359 0 40 IEAB O=C(NCCSC(F)(F)F)C1=C(c2ccccc2)N2CCS(=O)(=O)N=C2S1 48356598 IYNJVGFNHBRKSO-UHFFFAOYSA-N 437.490 2.473 0 40 IEAB CC[C@H](C)NC(=O)CCn1c(=O)c2ccccc2n2c(=O)n(Cc3cccc(OC)c3)nc12 48988794 NMTLAIHKBQNGSA-INIZCTEOSA-N 449.511 2.173 0 40 IEAB COc1ccccc1Cn1c(=O)c2sccc2n(CC(=O)NCc2ccco2)c1=O 67205361 MSOIMJRIBBZKDO-UHFFFAOYSA-N 425.466 2.191 0 40 IEAB O=S(=O)(N1CCOCC1)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 72371309 NQQQBQBEGQMXJS-OAHLLOKOSA-N 440.953 2.051 0 40 IEAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)C2 90609725 UVGHUIXXCYAYBI-LBPRGKRZSA-N 436.559 2.273 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96122149 DBDZAMPGJWESSL-UHFFFAOYSA-N 427.931 2.189 0 40 IEAB CN1CCN(c2ncccn2)C[C@@H]1c1nnc2ccc(C(=O)NCCc3cccs3)cn12 96156690 ADUDSSAVZQJPAL-GOSISDBHSA-N 448.556 2.046 0 40 IEAB COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cc1 138636546 CMAGRHVVZDJDPH-OAHLLOKOSA-N 426.425 2.017 0 40 IEAB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)NN3CCN(C)CC3)c2c1 215697381 CZANOEDLTJMLEZ-HMAPJEAMSA-N 433.512 2.226 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccccc3C)no2)ccc1OC 223598113 LWDXFPPCTGVLMJ-UHFFFAOYSA-N 430.486 2.282 0 40 IEAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)N(C)C)C3)ccc21 225161560 QLTWIPWRGFBMNJ-ZDUSSCGKSA-N 426.564 2.101 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](Oc2ncccc2Br)C1 238959508 YHSUUFQXMDLZBD-ZDUSSCGKSA-N 429.274 2.234 0 40 IEAB CN(CC1(O)CCN(c2ccnc3cccnc23)CC1)C(=O)c1ccc(OCCN)cc1 257244714 IMMKASNKVHAEKT-UHFFFAOYSA-N 435.528 2.071 0 40 IEAB O=C(C[C@H]1CN(C(=O)Cn2ccnc2)CC[C@@H]1Oc1cccc(Cl)c1)N1CCOCC1 257315600 VCCFGZATNQVXQC-PXNSSMCTSA-N 446.935 2.082 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 408630038 MOTDSDIFMSRBQS-UHFFFAOYSA-N 440.449 2.034 0 40 IEAB CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OCC 408700496 GWYIHSMMPNTIHB-UHFFFAOYSA-N 435.521 2.485 0 40 IEAB CCCOc1cccc(CCNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)c1 1566548093 VBMXAFSMFKXAJK-SIKLNZKXSA-N 428.504 2.478 0 40 IEAB Cn1ccnc1S(=O)(=O)N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889059869 LUSUWQMWDSAXCP-UHFFFAOYSA-N 435.513 2.389 0 40 IEAB COc1ccc(CCN2C[C@@H](CN3C(=O)NC4(CCCCC4)C3=O)CC2=O)cc1OC 2298061416 ZNMSJAHFFSJVPU-KRWDZBQOSA-N 429.517 2.350 0 40 IEAB CCOC(=O)c1ccn2c(=O)cc(CSc3nnc(-c4cc(C)n(C)n4)n3CC)[nH]c12 2783560 FRUVDCLFCVXAOH-UHFFFAOYSA-N 441.517 2.417 0 40 IEAB COCCNC(=O)NC(=O)COC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 3446398 TZKRNIVNFOCPJP-UHFFFAOYSA-N 438.436 2.397 0 40 IEAB c1cc2c(cc1Oc1nnnn1[C@H]1CO[C@@H]3[C@@H](NCC4CCCCC4)CO[C@H]13)OCO2 4259818 TVXDIGIUPDIAII-XAMWDVODSA-N 429.477 2.071 0 40 IEAB biogenic,in-vitro CC(C)NC(=S)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CCCCN21 9128680 NKWRPYDCQFRKOU-QGZVFWFLSA-N 443.573 2.333 0 40 IEAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccccc1CCc1ccccc1 9245452 PCHGXJDZLLJSDY-FQEVSTJZSA-N 428.554 2.237 0 40 IEAB COC(=O)CN1C(=O)S/C(=C/c2cc(I)c(O)c(OC)c2)C1=O 9261183 BFVBUMRAITUVTD-BJMVGYQFSA-N 449.222 2.215 0 40 IEAB CCCNC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 9754401 QFGSLIRAUHVCQZ-ZDUSSCGKSA-N 449.495 2.137 0 40 IEAB CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(OCC)c3O)nc21 10188009 HLHBKGOOQCTASA-UHFFFAOYSA-N 435.440 2.378 0 40 IEAB Cc1ccc(OCCNC(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)c(C)c1 11545282 PPFAHCZAIHKDMH-UHFFFAOYSA-N 440.529 2.367 0 40 IEAB COCCc1nnc(NC(=O)CN2CC3(CCOCC3)Oc3ccc(C)cc3C2=O)s1 12086902 KPXPWDXZAYHSKV-UHFFFAOYSA-N 446.529 2.058 0 40 IEAB COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)CC1 12919478 XQFPEYIKBFHIIH-UHFFFAOYSA-N 448.585 2.378 0 40 IEAB CCCn1c(N)c(C(=O)COC(=O)c2sc(-c3ccc(F)cc3)nc2C)c(=O)[nH]c1=O 12980116 DBEHYCPPELNSKN-UHFFFAOYSA-N 446.460 2.140 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)NC12CC3CC(CC(C3)C1)C2 12986264 BTBHZIJYRPZRAM-UHFFFAOYSA-N 435.565 2.217 0 40 IEAB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC)N(c1ccccc1)S(C)(=O)=O 13711561 ZGMPCBVRRZCMQG-GOSISDBHSA-N 448.497 2.443 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C 16680346 WYSFUFRAPLCAHK-UHFFFAOYSA-N 429.542 2.470 0 40 IEAB CCOC(=O)[C@@](Cl)(NC(=O)N[C@@](Cl)(C(=O)OCC)C(F)(F)F)C(F)(F)F 16958733 HJBOFZUWVGXUEQ-DTORHVGOSA-N 437.120 2.407 0 40 IEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2nc3c(Cl)cccc3s2)CC1 16974903 RLQUQQIEZRFZGO-CYBMUJFWSA-N 428.967 2.022 0 40 IEAB Cn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)c2ccccc21 20229818 GSYCWFRURKRRRP-XLNRJJMWSA-N 432.524 2.398 0 40 IEAB COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CCCC(C)C)c(=O)c2cc1OC 20761288 KSPJKLNOIGKMAX-HOTGVXAUSA-N 446.548 2.249 0 40 IEAB biogenic COc1ccc(C(=O)NCCc2nnc(S[C@@H](C)C(=O)NC3CCCC3)n2C)cc1 28211707 UNFLREKABLJCGH-AWEZNQCLSA-N 431.562 2.336 0 40 IEAB CCCn1c(=O)c2sccc2n2c(CCC(=O)NCc3ccc4c(c3)OCO4)nnc12 35528672 PTCQRVIFLGMXSI-UHFFFAOYSA-N 439.497 2.493 0 40 IEAB CCOC(=O)c1cnn(-c2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2)c1C(F)(F)F 58158571 YIXYFFOCGPHKHW-OAHLLOKOSA-N 438.406 2.466 0 40 IEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)N2CCC[C@@H](C)C2)c1 71772659 IXOGKIYOAMPHTD-SJORKVTESA-N 446.573 2.218 0 40 IEAB O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 89787879 VOJKVLUFKBFYRP-UHFFFAOYSA-N 447.532 2.377 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 90607564 XCPQLAGFCRIOIT-UHFFFAOYSA-N 435.468 2.142 0 40 IEAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCN([C@H]2CCOC2=O)CC1 95435108 FSTKRXOZTNMXOP-VXKWHMMOSA-N 435.524 2.444 0 40 IEAB CCOc1ccc(-c2noc(CCC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)n2)cc1 95444082 MLTTVUHCAIJTJY-IBGZPJMESA-N 445.564 2.277 0 40 IEAB CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 95461552 KMOZFSBATHXCMK-KXBFYZLASA-N 434.558 2.493 0 40 IEAB CN(C)C(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[C@@]2(CCNC2=O)C1 96262563 YOSFRTUOGCOTFK-NRFANRHFSA-N 433.940 2.458 0 40 IEAB CCc1ccc(N2C(=O)[C@H]3N=NN(CC(=O)Nc4ccc(OC)c(OC)c4)[C@H]3C2=O)cc1 101166045 GJYGAUGKTYFJKR-VQTJNVASSA-N 437.456 2.198 0 40 IEAB COCCn1c(N)c(N(Cc2ccccc2)C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]c1=O 104004774 GLVFFPHLFWNMRO-BZSNNMDCSA-N 426.517 2.125 0 40 IEAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@@](O)(c2ccco2)c2cccs2)c1 225591407 BTQVGNXXLQBUQL-LJQANCHMSA-N 437.495 2.351 0 40 IEAB CCc1nnsc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCOCC2)CC1 257244633 IMECNQKMODEDCA-SXWKCWPCSA-N 444.601 2.404 0 40 IEAB CC1(C)[C@H]2C[C@H]3Oc4c(ccc(O)c4C(=O)NCCNc4ccccn4)[C@H](O)[C@@]3(O)[C@@H]1C2 257287396 PPUGYKOSLMNNME-IKEZHLFISA-N 439.512 2.221 0 40 IEAB Cc1ccc(=O)n(CC(=O)N2CCCC[C@H]2c2n[nH]cc2C(=O)N2CCCCCC2)n1 257324898 WQQUKRVJNGDJBX-SFHVURJKSA-N 426.521 2.045 0 40 IEAB O=c1c2cccnc2nc(O)n1C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 390829597 FHSSNHKCOYLJGP-UHFFFAOYSA-N 438.868 2.315 0 40 IEAB COC(=O)COc1ccc(/C=C2\SC(=O)N(CC(=O)NCc3ccco3)C2=O)cc1 409210032 DDYZBAGWYZQZMD-SXGWCWSVSA-N 430.438 2.184 0 40 IEAB CCc1cc(C(=O)N2CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC2)cs1 643564188 UCGMJAJGXZWMJS-INIZCTEOSA-N 435.590 2.354 0 40 IEAB COc1cccc(CNCCNC(=O)c2nonc2N)c1OCc1ccc(Cl)cc1 8723272 KEBRYFHVGLSLPG-UHFFFAOYSA-N 431.880 2.412 0 40 IEAB CC(=O)Nc1cccc(NC(=O)CSc2nc(=O)n(CCCN(C)C)c3c2CCC3)c1 9745789 VGGQKHVAPAETMN-UHFFFAOYSA-N 443.573 2.373 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCCN(C)c2ccccc2)CC1 12558215 SJENKJBSIKPRTE-UHFFFAOYSA-N 434.562 2.335 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCc3c(C(=O)O)cccc32)CC1 12761127 DSHQLUUWZKCZJN-UHFFFAOYSA-N 447.513 2.370 0 40 IEAB O=C(NCCc1nnc2ccccn12)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 12763455 GNSQTCFNDKQLBM-ZDUSSCGKSA-N 428.290 2.204 0 40 IEAB Cc1ccc(NC(=O)CCCC[C@@H]2[C@@H]3NC(=O)N[C@@H]3CS2(=O)=O)c(Br)c1 12876613 MRNZVSGECNSPIT-IIAWOOMASA-N 444.351 2.103 0 40 IEAB CCOc1ccc(-c2ccc(=O)n(CCNC(=O)COc3ccc4c(c3)OCO4)n2)cc1 13604039 QMLAGKGHBOAXTE-UHFFFAOYSA-N 437.452 2.233 0 40 IEAB O=C(CCNC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)Nc1ccc2c(c1)OCCO2 13730560 FDCKTKXILIEYON-KSFYIVLOSA-N 439.493 2.173 0 40 IEAB NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCC(c2nc3ccccc3o2)CC1 14186314 IQLWEYXGWXRAJQ-UHFFFAOYSA-N 440.525 2.244 0 40 IEAB Cc1ccc(N2C(=O)N(CC(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)C(=O)[C@@H]2C)cc1 14372177 BSBSDHBSYOHHGC-ZDUSSCGKSA-N 439.497 2.109 0 40 IEAB NC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 19331639 WBHDEHFXXAGHDV-HTAPYJJXSA-N 446.594 2.486 0 40 IEAB C[C@H](NC(=O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc(-c2ccccc2)cc1 22790871 JKMVYPYLZPAZTH-CVDCTZTESA-N 441.597 2.336 0 40 IEAB O=C(CN1CCN(CN2C(=O)NC3(CCCCCC3)C2=O)CC1)Nc1ccccc1Cl 22919512 UBGLZLZOSDIANF-UHFFFAOYSA-N 447.967 2.498 0 40 IEAB O=C(CN1CCN(Cc2ccsc2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 22921888 LOWDRYRJQRVBTB-UHFFFAOYSA-N 448.614 2.289 0 40 IEAB Cc1ccc([C@@]2(C)NC(=O)N(CCOc3ccc(S(=O)(=O)N(C)C)cc3)C2=O)cc1 24883029 ZIFCSLZWPFFTFH-OAQYLSRUSA-N 431.514 2.091 0 40 IEAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 32885552 LGHVWYJRLLVYLT-UHFFFAOYSA-N 439.603 2.042 0 40 IEAB CCn1c(CCC(=O)NCCc2csc(C)n2)nc2cc(S(=O)(=O)N(C)C)ccc21 32905523 KNIZOFNXSKRWJY-UHFFFAOYSA-N 449.602 2.363 0 40 IEAB O=S(=O)(/C=C/c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 33047633 LEOIHPYGWMVPHW-MDWZMJQESA-N 428.482 2.272 0 40 IEAB O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(=O)n(Cc2ccccc2)n1 33413226 WOVXHQKPSWQJGE-UHFFFAOYSA-N 438.509 2.328 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc(OC)c3O[C@@H](C)C(=O)O)C2=O)o1 35375254 ZFJACSMDBRDEIM-HOXUKUGESA-N 444.396 2.020 0 40 IEAB CCCn1ncc2c(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cc(C)nc21 36616816 ZKZRXLDLPCZKDR-UHFFFAOYSA-N 427.530 2.296 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 44846533 OPDKMVKVVDKBNV-UHFFFAOYSA-N 425.894 2.340 0 40 IEAB COc1cccc(N2CCN(C[C@H](CC(=O)Nc3ccc4c(c3)OCO4)C(=O)O)CC2)c1 71279953 HNSDRAWDWWXASA-INIZCTEOSA-N 441.484 2.276 0 40 IEAB Cc1ccsc1CN1CCc2nc([C@@H]3CCCN3C(=O)c3nonc3C)[nH]c(=O)c2C1 72398803 DVJYBYPHSYSWLM-INIZCTEOSA-N 440.529 2.367 0 40 IEAB O=C(Cn1nc2ccccn2c1=O)Nc1cc(-c2ccc(Br)cc2)ncn1 79055801 FVOQVFLPMONAES-UHFFFAOYSA-N 425.246 2.354 0 40 IEAB O=C(NCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2O1)c1ccco1 100181019 YTBGLJWCUWYCOV-TYVMNDOJSA-N 437.496 2.471 0 40 IEAB Cn1/c(=N\C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)sc2ccccc21 104991408 RJEAANFPEAMZAD-XUTLUUPISA-N 435.502 2.141 0 40 IEAB COc1ccc(CCNC(=O)[C@@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC 220446902 BWPWWLSWPLHXNQ-CYBMUJFWSA-N 442.484 2.495 0 40 IEAB COc1ccccc1OC[C@H](C)NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 223318134 FPGXMQSUDVZVEB-AWEZNQCLSA-N 448.497 2.103 0 40 IEAB O=C(NCC(F)(F)F)c1cc(C2CCN(S(=O)(=O)c3ccccc3F)CC2)n[nH]1 225565098 XHVKQAMCAOOFHW-UHFFFAOYSA-N 434.415 2.409 0 40 IEAB Cc1cc(N2CCC(O)(CN(C)C(=O)c3ccc(OCCN)cc3)CC2)c2cnccc2n1 257255794 KIWQHBFZDIXJOG-UHFFFAOYSA-N 449.555 2.379 0 40 IEAB O=C(O)c1cccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1 409132686 LHZADMMFQINMEP-SFQUDFHCSA-N 441.465 2.071 0 40 IEAB Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(Cc3nc4ccccc4c(=O)n3C)C2)cc1 507629831 YZDPEUPYWPKHNC-GOSISDBHSA-N 440.569 2.432 0 40 IEAB COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)c(OC)c1 1347626 CRGIESYQWIPGCW-OAQYLSRUSA-N 436.516 2.025 0 40 IEAB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)O)cc2)n1 3634316 HVEIJRPFCHFENC-OQUILHJVSA-N 428.470 2.047 0 40 IEAB O=C(O)CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Br)cc1 6163195 KVGKTGJILDASKT-UHFFFAOYSA-N 427.276 2.163 0 40 IEAB O=c1[nH]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)C(=S)NC[C@H]1CCCO1)OCO3 6445149 JYLLOBYDXRFVQN-IAGOWNOFSA-N 445.541 2.291 0 40 IEAB CC(C)(C)NC(=O)NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 6515429 GJCKRIITBYPNLV-SFHVURJKSA-N 425.485 2.195 0 40 IEAB NC(=O)[C@@H]1C[C@@H](O)[C@H](O)[C@H]2[C@@H]1N(c1ccc(Cl)cc1)C(=S)N2Cc1ccc(F)cc1 8253618 VGSCAHQGZSNKSW-NNIGNNQHSA-N 449.935 2.050 0 40 IEAB biogenic,in-vitro Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1CCc1ccccc1 8709852 QTYBRPUTQMMOTF-UHFFFAOYSA-N 434.544 2.186 0 40 IEAB CC(=O)Nc1cccc(NC(=O)CN2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)c1 8769221 UDDCUISZKNJFJV-UHFFFAOYSA-N 449.511 2.170 0 40 IEAB CCOC(=O)C1=C(CSCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)NC(=O)N[C@H]1C 9126614 XNCKSPZCHJPURO-AWEZNQCLSA-N 449.529 2.037 0 40 IEAB CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nnnn3-c3ccccc3)ccc21 9254365 QEUJNZXWICEWAA-UHFFFAOYSA-N 429.527 2.350 0 40 IEAB COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1 9419301 MLXWPQVWZFADAP-KRWDZBQOSA-N 425.441 2.306 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)c2cccc(N3CCCC3=O)c2)C1=O 9609999 LAIRHZIAAMYTOL-DEOSSOPVSA-N 449.463 2.235 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)Nc2ccccc2)cc1 9745671 WWUUCKAHMKZQRC-SFHVURJKSA-N 445.541 2.383 0 40 IEAB CCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CC[C@H](CC)C3)c(=O)[nH]c1=O 9956471 ZTLSISRXYPXTDN-ZDUSSCGKSA-N 434.562 2.398 0 40 IEAB C[C@@H]1Oc2ccc(NC(=O)CCc3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)cc2NC1=O 10220162 ZXQVFAVMDLLTNF-ZDUSSCGKSA-N 444.451 2.400 0 40 IEAB Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)NCCc1ccc(F)cc1 11904747 HNOCJJBZBJFLFN-UHFFFAOYSA-N 440.518 2.030 0 40 IEAB COC(=O)c1cc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc(C(=O)OC)c1 12528793 JAYAVYGJHKMIPD-PBWFPOADSA-N 431.441 2.137 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)c1 12586978 FLNZVWXLRMIRHU-UHFFFAOYSA-N 443.525 2.342 0 40 IEAB NC(=O)CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccc1F 12677568 KJKISYQDQUYUHJ-HXUWFJFHSA-N 443.500 2.208 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 12817965 GDEIUGHTRCJTOP-AEFFLSMTSA-N 430.501 2.081 0 40 IEAB O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CCN(Cc2cccs2)CC1 13102492 BARCWMFXMJHKMC-SFHVURJKSA-N 449.598 2.163 0 40 IEAB COCCCN(C(=O)c1ccc2ccccc2n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14620623 PJRJMTZWAYZTAC-UHFFFAOYSA-N 425.489 2.006 0 40 IEAB O=C(CCCn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 17846239 IHEUMAXHVMIOQL-UHFFFAOYSA-N 443.525 2.049 0 40 IEAB O=C(Cc1cccc(F)c1)N[C@@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 19369386 IWOPNDGFWIGGHK-NRFANRHFSA-N 436.487 2.388 0 40 IEAB COc1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c(OC)c1OC 22328165 NPUZBGCVQMECLY-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)CC1 23134315 UTRKSYXFVBTSNC-MRXNPFEDSA-N 426.908 2.427 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O 23820248 FLHOPGAVPGWBGA-FQEVSTJZSA-N 433.367 2.422 0 40 IEAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2C2(CCCCC2)[C@H]31 32594681 ULJQFMBPPQGCOO-XMLKLZHTSA-N 434.539 2.064 0 40 IEAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1 33003350 LYQYMBRNKBYJBI-UHFFFAOYSA-N 445.479 2.118 0 40 IEAB Cc1c(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cnn1-c1ccc(O)nn1 57644082 LAGTWCWUHQVLDL-HOTGVXAUSA-N 436.516 2.216 0 40 IEAB Cc1cc(NC(=O)Cn2ncn3nc(-c4ccc(Br)cc4)cc3c2=O)no1 67197354 INFDUBDAWLQDNL-UHFFFAOYSA-N 429.234 2.256 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCC[C@@H]1c1nc3ccccc3n1C)n2C 72314364 FOWOGXVNBMUQBT-QGZVFWFLSA-N 435.532 2.447 0 40 IEAB CS(=O)(=O)c1ccc(OC[C@]2(CNCc3ccc(Cl)cc3)C[C@H](O)[C@H](O)C2)cc1 107430503 XHSCWTWBABQISE-AERCQKQUSA-N 439.961 2.414 0 40 IEAB biogenic,in-vitro COc1ccc(S(=O)(=O)Nc2ccccc2C(N)=O)cc1I 113941772 FKKIJSUBKRGQJJ-UHFFFAOYSA-N 432.239 2.200 0 40 IEAB Cc1cccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1C 223952145 ATGRYTCRWNMYRH-UHFFFAOYSA-N 431.558 2.048 0 40 IEAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224276471 WWEVIISIGBKKOZ-ONNFQVAWSA-N 444.509 2.408 0 40 IEAB O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 247742193 OYJGBRJIJGGDCV-XVWOVUINSA-N 432.524 2.456 0 40 IEAB Cc1cc(S(=O)(=O)N2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)ccc1F 257256200 KKLPJTDZDUYTIQ-QGZVFWFLSA-N 430.465 2.220 0 40 IEAB CCn1ccc(NC(=O)[C@H]2CN(C(=O)CCc3ncc(-c4ccccc4)o3)CCN2C)n1 257293969 QRXAKCWXQDPECB-GOSISDBHSA-N 436.516 2.272 0 40 IEAB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCC[C@@H](C)C1 260813043 OVQGIAGMOYQGLH-XLIONFOSSA-N 425.595 2.478 0 40 IEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1 408657868 PNSBMUXFIVNJDU-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(OC)cc54)[C@@H]3C2=O)cc1 504505376 IONSZNNLTKXDEU-VKDGWMQASA-N 433.464 2.135 0 40 IEAB biogenic CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cc1ccc(-n2cccn2)cc1 514561704 YBJPELORBFIFGH-UHFFFAOYSA-N 427.530 2.370 0 40 IEAB Cc1noc(C)c1C(=O)N1CC[C@@]2(C1)c1cccn1-c1ncccc1N2CC(=O)N(C)C 585107563 ZYQXINNHEHOJCI-HSZRJFAPSA-N 434.500 2.127 0 40 IEAB Cc1nn(CCC(=O)N2C[C@H](CC(N)=O)[C@H](OC(=O)c3ccccc3)C2)c(C)c1Cl 643587034 PIBSCIXBXHDZCW-DLBZAZTESA-N 432.908 2.103 0 40 IEAB O=C(Cc1csc2ccccc12)N1CCN2C(=O)OC3(CN(C(=O)C4CC4)C3)[C@@H]2C1 1549161816 LPYPNFUOQLYRBQ-SFHVURJKSA-N 425.510 2.098 0 40 IEAB O=C1CN2CCN(C(=O)c3cccnc3)C[C@@H]2COc2ccc(-c3cccnc3F)cc2N1 1772594811 YPYWQZACAYUUQJ-GOSISDBHSA-N 447.470 2.440 0 40 IEAB COCCNC(=O)[C@H]1C[C@@H](NC2CCC(F)(F)CC2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O 2332241973 YBUJUOSPHUBNSU-BURFUSLBSA-N 426.508 2.050 0 40 IEAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 3416682 MNTYKPBUPXBQBR-OAHLLOKOSA-N 444.575 2.152 0 40 IEAB O=C(CCNC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)Nc1nccs1 8992334 WKGNBMCBTUEEDF-UHFFFAOYSA-N 426.502 2.121 0 40 IEAB CCCCn1c(N)c(N(C)C(=O)c2ccccc2NC(=O)Cc2ccccc2)c(=O)[nH]c1=O 9223800 XWZVGOTZSLIEKH-UHFFFAOYSA-N 449.511 2.377 0 40 IEAB O=C(CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)NCc1ccco1 9337126 QACRZGMNMZUHOJ-UHFFFAOYSA-N 439.921 2.154 0 40 IEAB Nn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnc1-c1cccc(F)c1 9755950 WPTDBOYIZZLENO-UHFFFAOYSA-N 430.484 2.378 0 40 IEAB Cc1cc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)c2cnn(C(C)C)c2n1 10207995 NBRGHRAOFDCWHU-UHFFFAOYSA-N 428.470 2.322 0 40 IEAB NC(=O)c1ccc(NC(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)cc1 11613366 NMTRWQCNZRHQHH-MRXNPFEDSA-N 446.492 2.357 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)c2ccc(C)cc2)cc1 12937951 LHCODTVGPCWAML-OAHLLOKOSA-N 432.498 2.436 0 40 IEAB COC(=O)c1sc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)c(C(=O)OC)c1C 13001722 PTXNUJJEHPAVLF-UHFFFAOYSA-N 431.419 2.268 0 40 IEAB COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1S(=O)(=O)N(C)C 13196235 CVZWOFYAKWTTMX-UHFFFAOYSA-N 448.906 2.098 0 40 IEAB Cc1coc2cc3oc(=O)c(CCC(=O)N(C)CC(=O)N4CCN(C)CC4)c(C)c3cc12 13687439 WOWIOICWEIKFJJ-UHFFFAOYSA-N 439.512 2.321 0 40 IEAB CCc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccco5)n4n3)CC2)cc1 13848219 FYHAGVPWXMONNU-UHFFFAOYSA-N 438.513 2.458 0 40 IEAB NC(=O)[C@H]1CCCN(C(=O)c2cc(C3CCN(C(=O)CCc4ccccc4)CC3)no2)C1 19370684 UHDOIAJZXNTBPB-IBGZPJMESA-N 438.528 2.351 0 40 IEAB CCN1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CCc3ccccc3F)C1)C2=O 19699827 YLEZBLUNJWFVPA-SFHVURJKSA-N 430.524 2.156 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)nc2c1CC(=O)N2Cc1ccccc1 19743869 KAPJRLSGJJVCAC-IBGZPJMESA-N 447.539 2.203 0 40 IEAB CCc1cc(C(=O)N2CCO[C@@H](c3cc(C(=O)N(C)CCO)c4ccccc4n3)C2)on1 19762773 CAGGOHQNZFVCMV-OAQYLSRUSA-N 438.484 2.063 0 40 IEAB NC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)C1 24143528 SQFGSHKEUMCBHV-WBVHZDCISA-N 447.536 2.079 0 40 IEAB CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCc1nnc3ccccn13)C2=O 24333201 CQPVQFGVZFLHND-UHFFFAOYSA-N 426.521 2.263 0 40 IEAB COc1cc(C(=O)NCC(=O)Nc2ccc(-n3nc(C)cc3C)nc2)cc(OC)c1OC 24785871 IUORAOUKWUGAAL-UHFFFAOYSA-N 439.472 2.278 0 40 IEAB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)Cn2ncc3ccccc3c2=O)CC1 28481605 GQJMXULIEQYOLZ-UHFFFAOYSA-N 434.452 2.003 0 40 IEAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 33048524 MYBDIYLIWDBMFO-UHFFFAOYSA-N 434.898 2.301 0 40 IEAB Cc1csc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)n1 36354914 ISCLOVJFTWXHKE-AWEZNQCLSA-N 434.543 2.228 0 40 IEAB COc1ccc([C@@H](C)NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1OC 38757191 ZUGDRUSEWJINTA-CYBMUJFWSA-N 436.486 2.076 0 40 IEAB CCOC(=O)C1CCN(C(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)CC1 57428898 BWVHUXCZUCTRIE-UHFFFAOYSA-N 441.509 2.016 0 40 IEAB CCc1c(C(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)[nH]c(C)c1C(C)=O 58202633 IHXGAIZFIPMFSB-CALCHBBNSA-N 430.593 2.393 0 40 IEAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc[nH]n1 72394873 FGWUJSJSTFQNAD-UNMCSNQZSA-N 447.539 2.102 0 40 IEAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCN([C@@H]2CCOC2=O)CC1 95435105 FSTKRXOZTNMXOP-FGZHOGPDSA-N 435.524 2.444 0 40 IEAB O=C(NCCc1cccnc1)c1ccc2nnc([C@H]3CCN(Cc4cccnc4)C3)n2c1 96156186 SSGNPLWEFMRIDL-FQEVSTJZSA-N 427.512 2.481 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH]c(N4CCC[C@H](C)C4)nc(=O)c32)cc1 139077699 JLBKGELSXBXBSY-BLLLJJGKSA-N 438.488 2.029 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223048769 KQFGYXZTACHSPP-HSALFYBXSA-N 425.529 2.190 0 40 IEAB COc1ccc(OC)c(N(CC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)c1 223657951 FNRVNMXIDFVECY-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)CN(c3cccc(OC)c3)S(C)(=O)=O)ccc21 225083386 KDZUHMHSVVZYAK-UHFFFAOYSA-N 435.527 2.496 0 40 IEAB CN1CCN(Cc2nc(C3(O)CCN(C(=O)CCc4ccccc4)CC3)cs2)CC1 225425054 QOHLGQYJKCHNTC-UHFFFAOYSA-N 428.602 2.333 0 40 IEAB biogenic,in-vitro O=C(c1cnn(-c2ccccc2)n1)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1 225819470 ZMWOGSOPQKBSQF-UHFFFAOYSA-N 430.468 2.341 0 40 IEAB COc1ccc(NC(=O)CN2[C@H](C(=O)N(C)C)C[C@H](NC(C)=O)[C@@H]2c2ccccc2)cc1 257203193 APABEVCUKBTOPD-FUDKSRODSA-N 438.528 2.042 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)nc2c1CN(C(C)=O)CC2 257305690 SRBCTNNEIBMWBL-MRXNPFEDSA-N 432.528 2.463 0 40 IEAB CCN1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)CC1 409313127 HILIOVFDCZOUMP-UHFFFAOYSA-N 447.557 2.063 0 40 IEAB C[C@@]1(c2cccc(CNC(=O)NC[C@H](O)c3cccc4ccccc34)c2)NC(=O)NC1=O 1630834800 SMQYVCHOPRJTBL-RDPSFJRHSA-N 432.480 2.427 0 40 IEAB COc1ccc(Cl)cc1N(CC(=O)NCc1ccc2c(c1)OCO2)S(C)(=O)=O 810458 PKMNCHYABFQGPJ-UHFFFAOYSA-N 426.878 2.160 0 40 IEAB O=C(NC[C@H]1CCCO1)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(S)nc2c1 3051713 PMKXKTCDXITRPC-OAHLLOKOSA-N 439.493 2.371 0 40 IEAB COc1ccc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2OC)cc1F 9569129 VEACILOYSVKNQC-UHFFFAOYSA-N 430.479 2.184 0 40 IEAB NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1nc(-c2ccsc2)no1 9579861 XSEHNNGISKEEIA-UHFFFAOYSA-N 434.499 2.261 0 40 IEAB CCN1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1 9629979 CNTSHUQGZPACJE-UHFFFAOYSA-N 439.534 2.167 0 40 IEAB CS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nn1 9650549 FOYOIIPMEJUHEW-UHFFFAOYSA-N 447.494 2.119 0 40 IEAB Cc1ccc(NC(SCC(=O)NCC(C)C)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C 9973872 RSHAHUIOIQUPAA-UHFFFAOYSA-N 432.546 2.483 0 40 IEAB CCOc1ccc(C(=O)NCC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)cc1 10294005 MNVJEWAOZGXBQC-UHFFFAOYSA-N 425.485 2.398 0 40 IEAB Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)C2)on1 12128086 SBOSVFAJZBHCFC-RZHZGLJTSA-N 449.511 2.177 0 40 IEAB CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 12847257 NLUKNWSFNZZFAU-LJQANCHMSA-N 429.542 2.022 0 40 IEAB Cc1ccc(C)c(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c1 12861123 LJLBJZRIQUDELQ-UZUQRXQVSA-N 426.469 2.282 0 40 IEAB COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCCCC(=O)O)cc1 13464804 ULCRZMSMCKRLQJ-BOPFTXTBSA-N 426.425 2.176 0 40 IEAB C[C@H](OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCc1ccc2c(c1)OCO2 13527142 RHRWCDAPPXZECG-AAYUJCDTSA-N 442.512 2.296 0 40 IEAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)Nc1ccccc1 13682568 YMVOAMDPEYMSPR-OAHLLOKOSA-N 435.933 2.496 0 40 IEAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CSc3ncnc4sccc34)CC2)C1 14023029 XHIHUQJFRORJBS-HZPDHXFCSA-N 447.630 2.432 0 40 IEAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N1CCN(c2ncccn2)CC1 15701264 AVUNMENMCVRZAS-UHFFFAOYSA-N 441.488 2.379 0 40 IEAB O=c1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c2ccc(O)cc2o1 18933736 UGVRERLTSWCEHY-UHFFFAOYSA-N 440.521 2.494 0 40 IEAB Cc1nc(CC(=O)N2CCC(c3ccc(C(=O)N4CCN(C)CC4)cn3)CC2)cs1 19705870 MVZWUMKLIFHDKN-UHFFFAOYSA-N 427.574 2.183 0 40 IEAB Cc1nc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)nc2c1CCCN2CC1CC1 19706901 REIYEYDBBZJUIH-KRWDZBQOSA-N 430.578 2.249 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc3c(c(N(C)C)n2)CN(C)CC3)cc1 19710435 JGDIDNLJRFKYDW-HXUWFJFHSA-N 445.589 2.455 0 40 IEAB CC(=O)N[C@H]1C[C@@H](CCNC(=O)c2cn3cccnc3n2)O[C@@H](c2ccccc2F)C1 19712392 PTGFFAIOXOEUBT-RZQQEMMASA-N 425.464 2.413 0 40 IEAB CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 19727682 YNQLIWDBDGYHQW-OAHLLOKOSA-N 444.395 2.014 0 40 IEAB Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccccc1 19925769 NSKLPBUFHTVWCY-UHFFFAOYSA-N 430.512 2.277 0 40 IEAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc21 20214982 VYBNWSGOHHZJCK-UHFFFAOYSA-N 432.521 2.493 0 40 IEAB Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccc(F)cc2)n(C)c1=O 20517731 ONHSGWNKFCGCRQ-UHFFFAOYSA-N 433.487 2.179 0 40 IEAB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCN(C)CC2)c(C)c1 20614365 RLMPAWFXDADGSF-HXUWFJFHSA-N 438.528 2.076 0 40 IEAB CCCC[C@]1(c2ccccc2)NC(=O)N(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1=O 25115952 DBNWKPVZHQEPAY-BXKMTCNYSA-N 435.480 2.281 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1OC 30757918 KFNUSJYFVQWUAC-UHFFFAOYSA-N 434.514 2.360 0 40 IEAB CCOC(=O)c1cnc(SCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc1N 32777175 LILNFIZVHWQJDD-UHFFFAOYSA-N 433.509 2.206 0 40 IEAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O 49581389 IGHAGBLBWLGQEK-AWEZNQCLSA-N 431.876 2.279 0 40 IEAB O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)CCn2nc3ccccn3c2=O)CC1 72311452 AKDNNAMOKGCDOM-UHFFFAOYSA-N 443.891 2.122 0 40 IEAB CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(c4nc(C)c(C(C)=O)s4)CC2)[C@@H]3C1=O 72340168 DJQWXXVMMUMIOI-MPWIWIEXSA-N 429.542 2.162 0 40 IEAB O=C(Nc1ccc(F)cc1OC(F)F)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 79023620 VCYCUGPFNBWBFG-UHFFFAOYSA-N 447.364 2.302 0 40 IEAB CCN(CC)CCn1c(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)nc2ccccc21 102242216 IFRMHLUTEUKYKM-LRGYGIHKSA-N 435.528 2.124 0 40 IEAB COC(=O)c1ccccc1NC(=O)CN1N=N[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 102436972 SOKOTAMBDGNLTM-IAGOWNOFSA-N 441.831 2.059 0 40 IEAB COc1cc(C)n(CCNC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)c(=O)c1 225616015 QCDGEUFXRBIIEH-UHFFFAOYSA-N 442.472 2.011 0 40 IEAB Cc1cc(=O)n(CC(=O)N2CCC[C@H](CC(=O)NCCn3ccnc3)C2)c2c(C)cccc12 257336530 YOVXHRCQOQFSII-HXUWFJFHSA-N 449.555 2.260 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)c1ccc(C)cc1 408559124 LHCBRIKMCJSWKE-UHFFFAOYSA-N 431.514 2.142 0 40 IEAB Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c1 408614661 GAJJFJBRURPEGV-ROUUACIJSA-N 439.512 2.171 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)no1 408668640 VGRDALFXPQXXSF-CSMYWGQOSA-N 425.441 2.704 0 40 IEAB NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)NCCC(=O)Nc3ccccc3)c2)C1 502783457 YMMCPBLPGBMYSM-HXUWFJFHSA-N 437.544 2.212 0 40 IEAB FC(F)(F)c1nnc2ccc(N3CCN(c4nccc(-c5cccnc5)n4)CC3)nn12 2087045947 BVPNEIQXBUOQPM-UHFFFAOYSA-N 427.394 2.322 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)c2cccc3c2c1NC3=O 781575 PALDQWCLENPKSN-UHFFFAOYSA-N 439.559 2.467 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc23)c1 3457371 KNLLKNOZTNSEAL-UHFFFAOYSA-N 429.479 2.174 0 40 IEAB COc1ccc(OC)c(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2c(C)cc(C)cc23)c1 8878942 CIEIKHHDHGIWSP-NMSKDSPKSA-N 439.512 2.466 0 40 IEAB biogenic CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)cc1 8885228 WMRUHOQNSDNCJD-OAQYLSRUSA-N 428.876 2.448 0 40 IEAB Cc1ncc2c(c1O)[C@@H](c1c(O)n(-c3ccc(Br)cc3)c(=O)[nH]c1=O)OC2 8918567 DHBOZPJBAVWPJE-HNNXBMFYSA-N 432.230 2.023 0 40 IEAB biogenic CC(C)C[C@@H](C(=O)OCC(=O)N1CC(=O)Nc2ccccc21)N1C(=O)c2ccccc2C1=O 9128339 UYSCENNHHXZBKN-IBGZPJMESA-N 449.463 2.226 0 40 IEAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 9861560 CHVCTIWCTQYSIL-KRWDZBQOSA-N 431.533 2.500 0 40 IEAB CCOc1ccc(Br)cc1S(=O)(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 9872252 QMMWLZOHQLRWTO-CYBMUJFWSA-N 438.365 2.188 0 40 IEAB Cc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2c(=O)n(C)c(=O)n(C)c2n1 11758054 JXSQQMRUHPXUJT-UHFFFAOYSA-N 439.419 2.085 0 40 IEAB CC(=O)NCCNC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CSc2ccccc2)on1 12481931 SJSXMWCVSDNNHI-ROUUACIJSA-N 430.574 2.378 0 40 IEAB biogenic,in-vitro CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 12520693 BWWAGKBLJICXOB-NSHDSACASA-N 444.485 2.379 0 40 IEAB Cc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)N2CCOCC2)o1 12850817 JTDTXSXYOOWXAS-HXUWFJFHSA-N 447.557 2.176 0 40 IEAB CN(C)CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=S)NCc1ccc2c(c1)OCO2 13063281 IRZIBFHXBIXISI-UHFFFAOYSA-N 439.541 2.090 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 16022124 DDRMJOXRZHIKBO-ZOZBEKFXSA-N 432.318 2.474 0 40 IEAB O=C(C1CCC1)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699853 IIYDCDOSWLZRCF-NRFANRHFSA-N 438.572 2.407 0 40 IEAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1CCN(c2cnccn2)CC1 24830995 YLMJBGXVZHQDMF-UHFFFAOYSA-N 427.534 2.149 0 40 IEAB O=C(c1cc(-n2cnnn2)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 31811015 SHGRLASSMJYWII-UHFFFAOYSA-N 426.864 2.002 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)Nc1ccc(I)cc1 32768072 ROTMBSYWVXPLRH-SECBINFHSA-N 449.270 2.202 0 40 IEAB CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)cc1Br 32770618 XDGARIIJDWEDOL-AWEZNQCLSA-N 447.351 2.305 0 40 IEAB Cc1cnc2c(S(=O)(=O)N3CCN([C@@H](C)C(=O)Nc4cc(C)on4)CC3)cccc2c1 40081916 DWRQMWMKWCCTBZ-INIZCTEOSA-N 443.529 2.173 0 40 IEAB O=C(C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 58232458 LBEVRROOVHZGOJ-UHFFFAOYSA-N 430.501 2.420 0 40 IEAB COc1cc(NC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)cc(OC)c1 67235315 ZAECVZDVCXJOCI-UHFFFAOYSA-N 448.479 2.362 0 40 IEAB Cc1cc(C(=O)Nc2ccc([C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3CO)cc2)n(C)n1 72321114 BIMUEBZUKLSFES-FYYLOGMGSA-N 434.496 2.442 0 40 IEAB biogenic,in-vitro C[C@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCO2 77184718 WWWAQDXCRPWDDZ-SFHVURJKSA-N 426.347 2.276 0 40 IEAB COC(=O)C(C)(C)CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 95469028 QMXSGWAHICXDCC-MRXNPFEDSA-N 436.555 2.179 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 100773247 KPZYKZKTIXZRHP-NXOAAHMSSA-N 441.569 2.438 0 40 IEAB COc1ccc([C@H](C)Nc2ncc3c(=O)n(-c4ccc5c(c4)OCO5)c(=O)[nH]c3n2)cc1 102911768 BDYZFKTVUODWMV-LBPRGKRZSA-N 433.424 2.379 0 40 IEAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3[C@H]3C=CC=NN23)cc1 103519799 JSLUOVFOJJMTGM-NCYKPQTJSA-N 431.448 2.301 0 40 IEAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCCN(CCc3ccncc3)CC2)c2ccccc21 110063141 XWANZSJJWHSIAK-HSZRJFAPSA-N 436.512 2.497 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 223823160 JHDDYBUCSGHKGC-ZYSHUDEJSA-N 429.492 2.020 0 40 IEAB CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc4ccccn4c(=O)c3C2)c(C)c1 225779214 JPWZPNQMNVTVLK-UHFFFAOYSA-N 426.498 2.098 0 40 IEAB O=C(c1ccnc(OC2CCOCC2)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 253406547 URZREDVGYGDZMM-UHFFFAOYSA-N 425.485 2.326 0 40 IEAB CCCN1CCN(C(=O)c2ccc(=O)[nH]n2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O 257317092 VIJXGCGBPOYJJI-FQEVSTJZSA-N 445.523 2.385 0 40 IEAB COC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc1OC 409097990 PALHGLMJZSAFBT-PBJWJZLWSA-N 443.861 2.498 0 40 IEAB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCC(=O)OC)cc2)C1=O 409234719 XQEPYHWLODKCRH-XDHOZWIPSA-N 437.452 2.332 0 40 IEAB O=C(CCn1nc(O)c2ccccc2c1=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 501904021 CZSSWQFNCNZLDG-GOSISDBHSA-N 447.451 2.142 0 40 IEAB O=C1NCCNC(=O)C2(CCCCOc3ccccc31)CCN(C(=O)c1cnco1)CC2 1848354586 RHYJLUVWOCSECD-UHFFFAOYSA-N 440.500 2.006 0 40 IEAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2CCCOC(C)C)cc1 8657286 FGQLOGBKCFNICM-UHFFFAOYSA-N 425.489 2.177 0 40 IEAB C[C@H](NC(=O)CSc1ccc(S(=O)(=O)N(C)C)cn1)c1ccc2c(c1)OCCO2 9353545 QJKHUJCDIABGCP-ZDUSSCGKSA-N 437.543 2.073 0 40 IEAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1 9377237 NNMXEPYGJPPDNC-IBGZPJMESA-N 445.541 2.163 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 9689697 NCYXRWFPLLPCQV-LJQANCHMSA-N 435.546 2.010 0 40 IEAB Cc1ccc(N2C(=O)[C@@H]3N=NN(CC(=O)NCc4ccc(F)cc4)[C@H]3C2=O)cc1Cl 9748712 DJMSDSKRHVVLAP-QZTJIDSGSA-N 429.839 2.397 0 40 IEAB CCOCCn1c(=O)c2c(nc3n2CCCN3c2ccc(OC)c(Cl)c2)n(C)c1=O 10102300 NRGZWPLAKHDRHT-UHFFFAOYSA-N 433.896 2.137 0 40 IEAB O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cccc(S(=O)(=O)N2CCCCC2)c1 11555683 SFHBLBDTEJADGE-UHFFFAOYSA-N 445.541 2.489 0 40 IEAB CCc1nc(SCC(=O)Nc2c(C)cc(C)cc2C)c2c(=O)n(C)c(=O)n(C)c2n1 11758064 ZVWYQUGOLVCBOI-UHFFFAOYSA-N 427.530 2.246 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccnn2C(C)C)ccc1Cl 12794595 YNCSNMNMGUJXPW-LLVKDONJSA-N 428.898 2.210 0 40 IEAB Cc1ccc([C@H](CNC(=O)CCCN2C(=O)c3ccccc3C2=O)N2CCOCC2)o1 12983180 GDUDQBGZBJAQDC-IBGZPJMESA-N 425.485 2.154 0 40 IEAB CC[C@@H](C)N(C(=O)CN1CCN(c2ccccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 13055826 KDLGYDQCWYUCKY-IAGOWNOFSA-N 427.998 2.276 0 40 IEAB Cc1ccc(N2C(=O)N(CC(=O)N(C)Cc3nc4ccsc4c(=O)[nH]3)C(=O)[C@H]2C)cc1 14372178 BSBSDHBSYOHHGC-CYBMUJFWSA-N 439.497 2.109 0 40 IEAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 19455793 YBGFMKJKBNBSMC-QJMRKGMQSA-N 449.555 2.472 0 40 IEAB CC(C)CN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3)C1)C2=O 19699782 BSQFOGHCGQUGLE-HXUWFJFHSA-N 426.561 2.263 0 40 IEAB Cc1nn(C)cc1CN1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19759714 RJTPMLHSLYGSEJ-QHCPKHFHSA-N 435.528 2.323 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 22525970 OHMKKEJRCIJDEF-UHFFFAOYSA-N 446.481 2.496 0 40 IEAB O=C(NCC(=O)N1CCN(CCN2CCCC2)CC1)c1ccc(Oc2ccccc2)cc1 23257339 REGBQAQCUNUXLD-UHFFFAOYSA-N 436.556 2.449 0 40 IEAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 30220032 DXNUSCYIQROZGK-IBGZPJMESA-N 432.480 2.372 0 40 IEAB Cc1cc(Cc2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)s2)c(=O)[nH]n1 31814906 JVMSSRDLTCESCQ-UHFFFAOYSA-N 448.545 2.381 0 40 IEAB CCOC(=O)C1=C(CN(C)C[C@H]2COc3ccccc3O2)NC(=O)N[C@@H]1c1ccco1 32753409 KZONDHWEJSZFMJ-VBKZILBWSA-N 427.457 2.223 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2nc3c(Oc4ccccc4)nccn3c2=O)cc1 35528145 TYXKDSIALPEQGV-UHFFFAOYSA-N 433.424 2.499 0 40 IEAB O=C(CSc1nc2c(cnn2Cc2ccccc2)c(=O)[nH]1)NCc1ccc2c(c1)OCO2 36712353 FPDJHBQTCNFSFS-UHFFFAOYSA-N 449.492 2.305 0 40 IEAB COc1ccc(CN(C)C(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1F 40017333 JCMFDSQXYYHHQQ-UHFFFAOYSA-N 428.507 2.189 0 40 IEAB Cn1cc(CCNC(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)cn1 40135652 KMNAMYJXNJTBKO-UHFFFAOYSA-N 430.555 2.201 0 40 IEAB COc1ccc(CCNC(=O)COc2ccc(OCCN3CCOCC3)cc2)cc1OC 40149484 OOZCZGCYHYXQOL-UHFFFAOYSA-N 444.528 2.153 0 40 IEAB COc1ccc([C@@H](NC(=O)CNC(=O)c2c(Br)nn(C)c2N)C(C)C)cc1 72272267 NKPMBLGXYIZKSB-HNNXBMFYSA-N 438.326 2.017 0 40 IEAB O=C(Cc1cccc2ccccc12)Nc1ccc(-n2nnn(CC(=O)NC3CC3)c2=O)cc1 77100227 QVPINJGHFDIHBW-UHFFFAOYSA-N 442.479 2.042 0 40 IEAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1cccs1 77200653 BZVDPUJCJCJUER-KRWDZBQOSA-N 443.616 2.259 0 40 IEAB O=C(NCc1cccc2c1OCCCO2)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 84358379 HJKCRAVLTXYJAR-UHFFFAOYSA-N 445.522 2.389 0 40 IEAB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc2c(c1)OCCO2 89781100 ABHOEERVHXYZPD-UHFFFAOYSA-N 431.466 2.282 0 40 IEAB CN(CCCNS(C)(=O)=O)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 95434301 HXIXSIWEHQCDLS-GOSISDBHSA-N 427.617 2.155 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OCC 100556455 CVFZWGAGNLLUFN-CALCHBBNSA-N 444.484 2.307 0 40 IEAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OC(C)=O 108120033 BETUBQRHDMLZCT-DHDCSXOGSA-N 428.397 2.483 0 40 IEAB COc1ccccc1[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1C 224003333 AEOAAFJJAZWECK-KRWDZBQOSA-N 431.558 2.431 0 40 IEAB CN1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3cncc(-n4ccnc4)n3)cc2)CC1 257285449 PHCSBGTVCDPUAE-JOCHJYFZSA-N 446.559 2.190 0 40 IEAB Cc1nc(C)c(CC(=O)NCc2cccc([C@@H]3NC(=O)N(C)[C@H]4OCCC[C@H]43)c2)c(O)n1 257330066 XMQJKJKICMEHSA-XJABCFGWSA-N 439.516 2.107 0 40 IEAB O=S1(=O)c2cccnc2O[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccccn1 306123578 AQRWHWFOWGMHBA-VQTJNVASSA-N 440.500 2.452 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408665236 RAZFKXSUAKONTM-GAMLAWPCSA-N 440.496 2.399 0 40 IEAB O=C(NCCC(=O)N1CCN(c2ccccc2)CC1)c1cccnc1OCC(F)(F)F 500811575 UUEGQZOZMODQHV-UHFFFAOYSA-N 436.434 2.491 0 40 IEAB CN(CCc1ccccc1)[C@H]1[C@H](NC(=O)CCC(=O)O)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 585262273 PEYIAKDTPHTSCN-CHOVIJNXSA-N 444.503 2.230 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]cc3C(=O)N3CCCC3)C2)cc1 1848356094 ZIPWGBJDDRNFSB-MRXNPFEDSA-N 445.545 2.172 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(N(C)c3ncc(Cl)cn3)CC2)cc1OC 1848682200 DSYXENBEUYDSFK-UHFFFAOYSA-N 426.926 2.437 0 40 IEAB CCOc1ccc(S(=O)(=O)N2C[C@H]3CN(c4ncnc5c4ncn5CC)C[C@@H]3C2)cc1 1888947713 WDELTNQOCUFVPU-HZPDHXFCSA-N 442.545 2.002 0 40 IEAB C[C@@H]1CN(C[C@H]2C[C@@H]3CCN(S(=O)(=O)c4cc(F)cc(F)c4)C[C@@H]3O2)C[C@@H](C)O1 2056225583 RYXOBUSZYBZBTC-MJMXYKBZSA-N 430.517 2.242 0 40 IEAB CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(Br)cc1)C1=C(COC1=O)N2 9169298 NUWBBLZZHAFBEB-ZDUSSCGKSA-N 432.274 2.468 0 40 IEAB Cc1cc(C)n2nc(SCC(=O)c3cc(C)n([C@@H]4CCS(=O)(=O)C4)c3C)nc2n1 9245184 VCWUPMILSGCUQH-OAHLLOKOSA-N 433.559 2.494 0 40 IEAB CCOCCn1c(=O)c2c(nc3n(-c4cc(Cl)ccc4OC)c(C)c(C)n23)n(C)c1=O 9297144 OHGZSABHQLDSRI-UHFFFAOYSA-N 445.907 2.454 0 40 IEAB O=C(CNS(=O)(=O)c1ccccc1F)OCc1cc(=O)oc2cc3c(cc12)CCC3 9585109 IINFYJFCJKBTDF-UHFFFAOYSA-N 431.441 2.443 0 40 IEAB Cc1cccc(CC(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)c1 9851798 GULAVIAWBZSSDN-UHFFFAOYSA-N 427.512 2.469 0 40 IEAB Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)COc3ccccc3F)CC2)c1 11796682 UPQJHXARGJXWMW-UHFFFAOYSA-N 449.548 2.171 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1CN(C(=O)/C=C/c2cccnc2)C[C@]12Cc1ccccc1C(=O)N2 12088485 XCACFTPMKBBJOQ-FZJPEPRQSA-N 432.524 2.193 0 40 IEAB COc1cc2c(c3oc(=O)c(CC(=O)N(C)CC(=O)N(C)C)c(C)c13)CCC(C)(C)O2 12902700 OGHITWKUVDIXAL-UHFFFAOYSA-N 430.501 2.303 0 40 IEAB biogenic CCN(CC)S(=O)(=O)c1ccc2oc(S[C@H](C)C(=O)N3CCOCC3)nc2c1 13022940 MBHFLIXBPLZDHO-CYBMUJFWSA-N 427.548 2.198 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 13633188 ZPLXLDOAPGEORP-UHFFFAOYSA-N 435.521 2.194 0 40 IEAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2cccn2C)cc1S(=O)(=O)N1CCOCC1 14201393 OGAZGBJVTJKDGE-FQEVSTJZSA-N 446.573 2.130 0 40 IEAB CCN1CCN(C(=O)c2n[nH]c(=O)[nH]2)C[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 19527307 YFNCPYNVVFKHMP-FQEVSTJZSA-N 433.512 2.237 0 40 IEAB CN(C)CCC1CCN(C(=O)CN2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)CC1 19582167 SYPKRYCUBNGIQZ-UHFFFAOYSA-N 443.636 2.339 0 40 IEAB C[C@@H](OC(=O)[C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1)C(=O)NC1CCCCC1 19628551 MRJACJKWKABRPE-HZPDHXFCSA-N 447.557 2.228 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccc(S(=O)(=O)N(C)C)cn2)c1C 22225283 ZLOJEMKCYTWXKR-GFCCVEGCSA-N 425.532 2.427 0 40 IEAB C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCN([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 23254068 VPKVNONGUYYFSE-HDICACEKSA-N 444.526 2.292 0 40 IEAB C[C@H](OC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)C(=O)NC(=O)NC1CCCCC1 23527158 IYYUTQAPLBBXJY-INIZCTEOSA-N 442.516 2.493 0 40 IEAB CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc(F)c3)cc2)CC1 32125436 VROXZCZYGPJXMG-UHFFFAOYSA-N 436.534 2.034 0 40 IEAB CC(C)Cn1c(SCCC(=O)NC(=O)NCc2ccccc2)nnc1N1CCOCC1 32869814 VOJIKNNVFOTISM-UHFFFAOYSA-N 446.577 2.279 0 40 IEAB COc1ccccc1[C@@H](O)Cn1cc(C(=O)N2CCN(c3ccccc3F)CC2)nn1 77197239 MTZCOWMEAXMRGP-FQEVSTJZSA-N 425.464 2.122 0 40 IEAB COCCSc1nnc(NC(=O)[C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)s1 80341326 SUQAZPNBLZKZGO-NSHDSACASA-N 438.531 2.285 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)c2cccnc2O1 89941263 AFQIEKPLDWTBGG-JTQLQIEISA-N 447.332 2.224 0 40 IEAB CC(C)(C)OC(=O)N1CCN(C(=O)CC[C@H]2N=C(O)N(CCc3ccccc3)C2=O)CC1 95473389 BSDTYZHWAXYPMQ-GOSISDBHSA-N 444.532 2.213 0 40 IEAB CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)CC1 101509271 NSJGEXWTVXFQHP-CEXWTWQISA-N 437.606 2.380 0 40 IEAB COC(=O)C1CCN(C(=O)[C@@H](C)N(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1 220201912 VCZDFLSGZJZTMA-GFCCVEGCSA-N 436.452 2.272 0 40 IEAB C[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O 225499889 OWZNZRDGYGYQKC-LBPRGKRZSA-N 425.457 2.460 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2)cc1 225924070 DYJHNPMJIFHQHD-UHFFFAOYSA-N 434.514 2.465 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc4c(c3)OCO4)C2)c1 408560381 OVIHVIDUTBKJPZ-AWEZNQCLSA-N 448.497 2.472 0 40 IEAB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCC(=O)O 409142358 YJJAOTVQDDPGKY-ONNFQVAWSA-N 446.231 2.042 0 40 IEAB Cc1cccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1 4355516 CEZDECCBKMRHDL-GOSISDBHSA-N 428.489 2.339 0 40 IEAB O=C(NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1)N[C@H]1CCC(=O)N1Cc1ccccc1 5760280 JFEHGYSSVPBCPA-WOJBJXKFSA-N 434.496 2.152 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)OCCCO2 9577777 WNHAFNUQFPYTKT-UHFFFAOYSA-N 433.482 2.131 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 9608516 GMGBGYRQSVSKNG-QHCPKHFHSA-N 435.436 2.192 0 40 IEAB O=S(=O)(c1ccc(F)cc1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1 9708522 NRXHUQJVINTVQP-UHFFFAOYSA-N 446.547 2.089 0 40 IEAB CC[C@H](C(=O)N1CCC(c2c(S(C)(=O)=O)cnc3ncnn23)CC1)c1ccccc1 12158837 TVIMDMBQDVTDDT-KRWDZBQOSA-N 427.530 2.428 0 40 IEAB CC(=O)N[C@@H](CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)c1ccccc1 12762248 KSYOJUJKUJZQFO-NRFANRHFSA-N 426.492 2.176 0 40 IEAB CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(N)=O 13112555 ZHXVTKVXKGGQAP-HNNXBMFYSA-N 439.331 2.449 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3c2N=S=N3)C1)C(=O)O 13630009 NVUYWGPFDXYIHC-JMSVASOKSA-N 440.547 2.429 0 40 IEAB CN(CC(=O)Nc1ccccc1Br)CC(=O)Nc1sccc1C(N)=O 14071345 WXVQNSDIBCCLDE-UHFFFAOYSA-N 425.308 2.119 0 40 IEAB COc1cc2c(cc1OC)[C@@H](c1c(O)[nH]c(=O)n(-c3c(C)cc(C)cc3C)c1=O)NCC2 17194617 IPNWIKZPNYQBMP-FQEVSTJZSA-N 437.496 2.409 0 40 IEAB CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1 19646316 ADCSHSTYIQJROI-UHFFFAOYSA-N 447.561 2.335 0 40 IEAB CNCc1cc(N(C)C)nc([C@@H]2CCCN(C(=O)CN(C)Cc3ccc(F)cc3)C2)n1 19709555 CUBWOWJIKPBQMM-GOSISDBHSA-N 428.556 2.239 0 40 IEAB CCCn1cc(S(=O)(=O)N2CC[C@@H](c3ncc(C(=O)N(CC)CC)c(C)n3)C2)c(C)n1 19757327 WWJLIAQMXCTSEM-QGZVFWFLSA-N 448.593 2.360 0 40 IEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 20897581 YVEKFLVACZIFHI-UHFFFAOYSA-N 438.465 2.107 0 40 IEAB O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22664563 LCHNEJQCYOPTMA-SFHVURJKSA-N 440.475 2.187 0 40 IEAB C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)C1=O 23818651 QIRVZEGTZUFCTG-SANMLTNESA-N 446.551 2.287 0 40 IEAB CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCN(c2ncccn2)CC1 26537625 FAUSQSDELKQXCB-KRWDZBQOSA-N 446.349 2.342 0 40 IEAB COc1cc2nc(CN3CCOCC3)nc(OCC(=O)N3CCCCCC3)c2cc1OC 28616714 RFMXQIUYLWJWGO-UHFFFAOYSA-N 444.532 2.261 0 40 IEAB COc1cccc([C@H](CNC(=O)C2CCN(c3ccc4nncn4n3)CC2)N2CCCC2)c1 32779790 BAOZQDKGQKVKOL-NRFANRHFSA-N 449.559 2.303 0 40 IEAB COc1nn(C)cc1C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 49486145 FNWXLQFVCCBFSL-IBGZPJMESA-N 427.480 2.454 0 40 IEAB COc1ccc(-c2cc3nn(CC(=O)Nc4ccc(NC(C)=O)cc4)c(=O)n3c(C)n2)cc1 67226629 BFHKJWHEYIIHQO-UHFFFAOYSA-N 446.467 2.472 0 40 IEAB Cc1ccc(CNC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccc(Br)cc2)C3)o1 71280462 FJTXRISPWHZKPQ-UHFFFAOYSA-N 446.261 2.013 0 40 IEAB CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)NC2(c3ccccc3F)CC2)C1=O 79067480 AETZHMDLMYACTR-UHFFFAOYSA-N 439.447 2.129 0 40 IEAB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCc1cc(Cl)c2c(c1)OCCO2 95956178 VVWRLLGAQRIQAS-UWWQBHOKSA-N 439.965 2.496 0 40 IEAB O=C(NC1CCCCC1)[C@H]1N(C2CC2)C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]12O3 100430893 SERHDJBFTOPWOL-KHMSYKNRSA-N 441.572 2.197 0 40 IEAB CC(C)(C)NC(=O)[C@H]1N(C2CCCC2)C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]21O3 100430902 YQLYQETVFQLIKY-VQBGDGMRSA-N 443.588 2.443 0 40 IEAB C[C@@H]1[C@@H](NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CCC[C@H]1C 102252695 PMBMZYXQFSHUCP-HPFXQQBRSA-N 430.501 2.295 0 40 IEAB CCn1c(=O)oc2cc(S(=O)(=O)N(C)Cc3cc(OC)c(OC)c(OC)c3)ccc21 223031341 AGYKPFJCFRAZAN-UHFFFAOYSA-N 436.486 2.461 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 245230727 XPWQOLVPEJXEGD-NMFSUFKKSA-N 429.561 2.053 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)N1CCOCC1 408626247 VIEIHXXXPCCBFS-UHFFFAOYSA-N 447.532 2.117 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)c(OC)c1 408666797 SNWHULUQAOGLLN-RDJZCZTQSA-N 426.469 2.477 0 40 IEAB CCCn1ccc(C(=O)N2CCO[C@@](COc3ccc(Cl)c(C)c3)(CC(N)=O)C2)n1 585287159 VDNOPPSTIRJPPZ-NRFANRHFSA-N 434.924 2.421 0 40 IEAB COc1cccc(CNC(=O)Cn2nc3n(c2=O)C(=O)N(c2ccc(Cl)cc2)C3)c1 1547201317 ZYZLRVGBXFYJBX-UHFFFAOYSA-N 427.848 2.012 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N3CC(Cn4cc(Br)cn4)C3)CC2=O)cc1 1889201556 AKURVGVTSBQWKY-AWEZNQCLSA-N 433.306 2.166 0 40 IEAB Cc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1-n1cnnn1 1345735 GWTPSWIFHBAOQY-UHFFFAOYSA-N 440.529 2.151 0 40 IEAB COc1ccccc1N1C(=O)C(=CNN2CCCC[C@H]2c2cccnc2)C(=O)NC1=S 2290976 HJMARDKJRNRNCR-KRWDZBQOSA-N 437.525 2.454 0 40 IEAB CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)N2CCCC2)CO1 2442175 SDUNERGTJMJENX-UHFFFAOYSA-N 442.541 2.459 0 40 IEAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3302727 MUNIFAFQCYATFM-UHFFFAOYSA-N 433.482 2.276 0 40 IEAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 8670738 JVXDGLFMLWZMCZ-UHFFFAOYSA-N 441.509 2.486 0 40 IEAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1 9116301 CTWWWUGCNVAZIG-UHFFFAOYSA-N 449.554 2.399 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 9660841 YDDPCKGTLKHRBJ-UHFFFAOYSA-N 439.468 2.375 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2nnc3ccc(-c4ccc(C)cc4)nn23)CC1 9829101 ILRGFXLEURNSLA-UHFFFAOYSA-N 440.529 2.493 0 40 IEAB COc1ccc(C(=O)NCCCOCc2ccccc2)cc1S(=O)(=O)N1CCOCC1 10103069 TUYHEMZFECVSRV-UHFFFAOYSA-N 448.541 2.053 0 40 IEAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N2CCOCC2)nc1 12525846 OZHZDYLKZUEHPK-UHFFFAOYSA-N 428.308 2.490 0 40 IEAB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12636959 SSCQEFISJDWRHE-UHFFFAOYSA-N 445.472 2.432 0 40 IEAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)ccc2[nH]1 12810485 XYORPPKWAAYFPY-KRWDZBQOSA-N 431.470 2.485 0 40 IEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 12927637 KMYCLQMQEMXUQA-HUUCEWRRSA-N 440.452 2.390 0 40 IEAB Cn1nc(C(=O)N(CCCN2CCOCC2)Cc2cccs2)c2ccccc2c1=O 12991196 YCPRSVHIUOGFLL-UHFFFAOYSA-N 426.542 2.360 0 40 IEAB C[C@H](C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)N(c1ccc(Cl)cc1)S(C)(=O)=O 13566749 BVCBTBTXBDGQLB-GFCCVEGCSA-N 436.921 2.324 0 40 IEAB COc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)cc1Cl 13673277 HDFDGKWDZFKENX-UHFFFAOYSA-N 425.938 2.222 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3=O)CC2)c(C)c1 14248042 AOGQOLSIWQABID-UHFFFAOYSA-N 435.590 2.141 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cc(C)ccc1C 16153334 UORZOFCGCLNROU-UHFFFAOYSA-N 440.543 2.134 0 40 IEAB Cc1ccc2nc(COC(=O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)cc(=O)n2c1 17161565 OZXYURXEMILFOT-AWEZNQCLSA-N 427.482 2.071 0 40 IEAB Cc1ccc(C(=O)N2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CCCO4)[nH]c(=O)c3C2)s1 19216989 UMUTWDLWKVXLQC-IRXDYDNUSA-N 442.541 2.181 0 40 IEAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 19587205 WHZWQEVKBRYICN-HFZDXXHNSA-N 448.567 2.466 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc4c(c3)CCC4)CC2)cc1 23109818 RPBYMMKTUXVUSF-OAQYLSRUSA-N 430.570 2.230 0 40 IEAB Cc1cc(C)n(CCCNC(=O)CNC(=O)c2ccccc2I)n1 23246619 YJMCHKJASYYIST-UHFFFAOYSA-N 440.285 2.041 0 40 IEAB COc1ccc2cc([C@@]3(C)NC(=O)N(CN4CCN(c5ncccn5)CC4)C3=O)ccc2c1 23908930 KOJXDBAHJCVCCB-XMMPIXPASA-N 446.511 2.185 0 40 IEAB Cc1sc2nc(CN3CCOCC3)nc(NCc3cccc(S(N)(=O)=O)c3)c2c1C 24658436 LTKODVKRDQAURX-UHFFFAOYSA-N 447.586 2.400 0 40 IEAB CCn1c(=O)n(CCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c2ccccc21 27143034 CPEFQHUNJJKFAB-UHFFFAOYSA-N 434.540 2.492 0 40 IEAB C[C@H](CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 31594291 ITUSURFCVFNVFG-WOJBJXKFSA-N 429.586 2.442 0 40 IEAB O=C(CCc1nc(-c2ccco2)no1)OCc1cccc(S(=O)(=O)N2CCOCC2)c1 32753449 NDSANJRVBJBFNS-UHFFFAOYSA-N 447.469 2.027 0 40 IEAB COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 32806103 OPEZLMCUDMPCCM-UHFFFAOYSA-N 427.479 2.212 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccc(Cn3cncn3)cc2)s1 32909672 URIRPPGLMMTRHX-GOSISDBHSA-N 445.570 2.166 0 40 IEAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCN(CC(=O)N2CCCCCC2)CC1 35349150 GLYQAYMAXTZXFO-ZHACJKMWSA-N 435.572 2.491 0 40 IEAB COc1ccc(CN(C(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)C2CC2)cc1 36386934 NWCGXXAILXUPBK-UHFFFAOYSA-N 449.598 2.254 0 40 IEAB O=C(COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 39654404 OCKOQSLFHQAPRV-IBGZPJMESA-N 434.489 2.229 0 40 IEAB COc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)cc(OC)c1OC 40009519 DJCRRWUJDKOSBL-GFCCVEGCSA-N 436.486 2.221 0 40 IEAB COc1ccc(NC(=O)CN2CC[C@@]3(CCC2=O)NC(=O)c2ccccc2N3)c(OC)c1 72325904 QYAPBXSNTYKKJD-HSZRJFAPSA-N 438.484 2.207 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc(N(C)C)cc3)C2)ncc1C(=O)N1CCOCC1 72345581 CLSPTYCJXUPPCZ-LJQANCHMSA-N 437.544 2.343 0 40 IEAB C[C@](O)(CNC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)C(F)(F)F 89901227 PCXIGRKGCNEPTK-KRWDZBQOSA-N 427.404 2.291 0 40 IEAB CNC(=O)Cn1ccc2ccc(NC(=O)CN3CCc4cc(OC)c(OC)cc4C3)cc21 95427687 ACXCFYDRFILKIH-UHFFFAOYSA-N 436.512 2.401 0 40 IEAB O=C(CSc1nc2ccccc2s1)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124257 WAVHKQXSWGYULX-UHFFFAOYSA-N 438.542 2.108 0 40 IEAB CN(CCCNC(=O)CN1CC[C@@]2(CCC1=O)NC(=O)c1ccccc1N2)c1ccccc1 105694828 AJCDSRWLRVNKOI-RUZDIDTESA-N 449.555 2.193 0 40 IEAB COc1ccccc1N(CCCC(=O)NCCCN1CCC(C)CC1)S(C)(=O)=O 222559635 ADYATBXKUBJYLC-UHFFFAOYSA-N 425.595 2.480 0 40 IEAB O=C(NCc1ccccc1)[C@H]1CN(C(=O)c2cnc3sccn3c2=O)c2ccccc2O1 223035310 JNZZAQDFDUCOBW-LJQANCHMSA-N 446.488 2.480 0 40 IEAB CC(C)NC(=O)N1CC[C@]2(CCn3c2nc2c(c3=O)CN(Cc3cccs3)CC2)C1 306132124 KZJVKKJMXIGRBH-QFIPXVFZSA-N 427.574 2.328 0 40 IEAB CCc1ccc(C(=O)N2CC[C@@H]3Cn4c(nn(Cc5ccccc5)c(=O)c4=O)[C@@H]3C2)cc1 306142782 XJTLPELMSLJSFY-NHCUHLMSSA-N 430.508 2.275 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCC(n3c(O)nc4ncccc4c3=O)CC2)cc1OC 390831744 UMYGVWZBNCWEST-SOFGYWHQSA-N 436.468 2.391 0 40 IEAB COC(=O)C[C@H](c1ccc(C(=O)OC)cc1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O 604404469 HOQATRQFACSVIT-GOSISDBHSA-N 439.468 2.310 0 40 IEAB biogenic COCCN1C(=O)[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN2C12CCOCC2 1772595291 KHXBAVQVUQUTMM-GOSISDBHSA-N 427.467 2.187 0 40 IEAB CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)Oc1cccc2ccccc12 6162538 NQLAVCKRAPRKCL-MRXNPFEDSA-N 426.498 2.476 0 40 IEAB CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC3CCCC3)[nH]c2=O)cc1 9518172 RFRSPKBJOCXRGJ-UHFFFAOYSA-N 431.518 2.154 0 40 IEAB CN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 9662153 ODMVUBWOVYCTGB-HNNXBMFYSA-N 432.527 2.265 0 40 IEAB COCCNC(=O)CCc1nnc2n(Cc3ccccc3Cl)c(=O)c3ccccc3n12 9831517 PQPFZIPKQFSBHE-UHFFFAOYSA-N 439.903 2.441 0 40 IEAB CCN(C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 10958212 XXHUDVOFUFNPOI-DZGCQCFKSA-N 435.571 2.248 0 40 IEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC[C@H](c1cccs1)N1CCOCC1 12757534 GZTHSRUGBPYCDT-QGZVFWFLSA-N 427.530 2.200 0 40 IEAB COc1cc2c(c3oc(=O)c(CC(=O)N(C[C@H](C)O)C[C@H](C)O)c(C)c13)CCC(C)(C)O2 12902220 NKUWWUHVBUDHQL-KBPBESRZSA-N 447.528 2.346 0 40 IEAB biogenic CS(=O)(=O)c1ncc(Cl)c(C(=O)OCC(=O)Nc2ccc(Br)cc2)n1 12909972 WCRJPZWDJDERRN-UHFFFAOYSA-N 448.682 2.092 0 40 IEAB CCN(CC(=O)NCc1cc(OC)c(OC)cc1OC)C[C@H]1COc2ccccc2O1 12931106 AJRWHOWHZWEKBN-KRWDZBQOSA-N 430.501 2.491 0 40 IEAB O=C(CCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)N[C@@H]1CCS(=O)(=O)C1 13574807 YPBORMQLVTVVNA-OJLMPMFISA-N 428.919 2.070 0 40 IEAB O=C(NCC(=O)N1CCC[C@H](C(=O)Nc2ccc3oc(=O)ccc3c2)C1)c1ccccc1 13724717 FPPTVXVKWFOIAU-SFHVURJKSA-N 433.464 2.400 0 40 IEAB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc(F)cc5)CC4)ncnc32)cc1 15884052 GZRKCXQPHDSWJF-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)NC(=S)N=C1O 17014488 QOSLEMFLADWGKV-INIZCTEOSA-N 445.504 2.020 0 40 IEAB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)N1CCN(c2ccccc2)CC1 22252902 OOEHLOVCOZJLBF-UHFFFAOYSA-N 447.557 2.452 0 40 IEAB Cn1c(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(=O)n(C)c1=O 22357655 BCLBQIRKOSKLAN-UHFFFAOYSA-N 440.494 2.269 0 40 IEAB COc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 22987579 VMHJSSKPPSLFHZ-UHFFFAOYSA-N 443.481 2.249 0 40 IEAB CCn1c(SCC(=O)Nc2cc(OC)ccc2OC)nnc1-c1cccn(C)c1=O 23136257 BIICFVYWMFLYSV-UHFFFAOYSA-N 429.502 2.412 0 40 IEAB CN1CCC2(CC1)C[C@@H](NC(=O)Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1O2 23151852 DOZOQMYJSTZRLJ-GOSISDBHSA-N 430.530 2.444 0 40 IEAB CCCn1c(N)c([C@@H](c2ccc(OC)cc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O 25778054 LBGOLUASLMBPIM-JOCHJYFZSA-N 449.555 2.449 0 40 IEAB CCCS(=O)(=O)NC1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 31595539 MNMYPJDHLSFRMH-IBGZPJMESA-N 435.590 2.168 0 40 IEAB COc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)cc1OC 32909764 OASNUVSYMBHXIP-QGZVFWFLSA-N 447.532 2.388 0 40 IEAB O=C(CN1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1)N1CCOCC1 35307644 QPMWFTPTAQAMJE-UHFFFAOYSA-N 434.496 2.111 0 40 IEAB Cc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCC2)N(C2CC2)C(=O)[C@H]13 35314552 OYERLAYDOBTEPS-LMHDGWJKSA-N 435.524 2.305 0 40 IEAB O=C(NCCNc1ncccc1C(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)o1 48231730 LAVOUEVAMUNFOP-UHFFFAOYSA-N 432.424 2.320 0 40 IEAB Cc1nc(C)n([C@@H](C)CC(=O)N2CCC(c3nc(C)c(C)c(N4CCOCC4)n3)CC2)n1 72337194 MCKXJYRVEDWUHK-HNNXBMFYSA-N 441.580 2.496 0 40 IEAB CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H]([C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)c1C 72342590 VIFNLPTZTFMDBJ-FOIQADDNSA-N 430.530 2.416 0 40 IEAB Cc1cc(C)cc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(Cc4cnn(C)c4)C[C@@H]3C2)c1 96090879 UFKQIDZZLYSFHN-RDGATRHJSA-N 437.588 2.480 0 40 IEAB CC(C)(C)OC(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1 96231173 OVNJLXFDSNNMSP-SFHVURJKSA-N 444.532 2.403 0 40 IEAB CO[C@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1cccc(F)c1 96388580 IEKBRSOPXZGXPJ-LJQANCHMSA-N 442.534 2.422 0 40 IEAB CCCC(=O)N1CCc2c(nc3cc([C@@H]4CCCN4C(=O)C[C@@H]4CCCO4)nn3c2O)C1 100234967 BOHYAOZEFSRGKX-KXBFYZLASA-N 441.532 2.352 0 40 IEAB C[C@H](C(=O)OCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)N1C(=O)[C@H]2CCCC[C@H]2C1=O 102237912 RGELPPVZRYDVAP-UPJWGTAASA-N 443.525 2.470 0 40 IEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2)nc(C)n1 102314753 JWKHEYBKKYDHPM-LSOMNZGLSA-N 442.497 2.356 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)cc2)C1 104741376 ROWHPCLATPIKIA-GUDVDZBRSA-N 437.606 2.336 0 40 IEAB COc1cccc(-c2noc(CNC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)n2)c1 219980335 XUHFADDKXWFKIE-UHFFFAOYSA-N 442.497 2.460 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 222990876 LQFMLTWHNJFXTC-HXUWFJFHSA-N 449.548 2.454 0 40 IEAB CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H](N(C)C(=O)Cc2c(C)nn(C)c2C)CC1 257247385 IYUPJIPAGSGCTK-VDKIKQQVSA-N 440.588 2.415 0 40 IEAB COc1cccc(CN2CCOC[C@@]3(CC[C@H](CNC(=O)C4CC(F)(F)C4)O3)C2)n1 306133874 MYHMOYISPGQSDD-YLJYHZDGSA-N 425.476 2.002 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408665234 RAZFKXSUAKONTM-CJBVTVNNSA-N 440.496 2.399 0 40 IEAB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(N)=O)cc3)C2=O)cc1 408963056 LZSLSZXAFCGBKM-YVLHZVERSA-N 441.465 2.234 0 40 IEAB CCOCCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 409389726 ROOGWAGDSPWNAO-UHFFFAOYSA-N 434.558 2.471 0 40 IEAB CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccc3CN3CCOCC3)CCN2C)c1 585261902 NYXLVUBZMKPUHW-QHCPKHFHSA-N 436.556 2.007 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1=O 643556325 JEYSDXCSZDJWGH-DEOSSOPVSA-N 440.544 2.285 0 40 IEAB C[C@@H](Oc1ccc(I)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 1042264 BITIGXMALXDPTR-SNVBAGLBSA-N 446.266 2.345 0 40 IEAB Cc1cn2c3c(=O)n(CC(=O)c4ccccc4)c(=O)n(C)c3nc2n1-c1ccccc1F 8709861 WERFBUVAHICTTD-UHFFFAOYSA-N 431.427 2.469 0 40 IEAB COc1cc(CN2C(=O)[C@@](NC(=O)c3ccco3)(C(F)(F)F)N=C2O)cc(OC)c1 9215872 IHASNWCPCHJXEI-KRWDZBQOSA-N 427.335 2.242 0 40 IEAB CSc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1 9569924 IBYBEOGMGOCARG-UHFFFAOYSA-N 437.562 2.429 0 40 IEAB C[C@H]1C[C@@H](OC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)O1 9835353 JYMQMAIGGKJKIQ-XHDPSFHLSA-N 435.420 2.353 0 40 IEAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 10256098 JZBNKFYGZJZHBP-HXUWFJFHSA-N 427.526 2.179 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2ccccc2)CC3)cc1 12342406 VYNZRVQOHMONFB-UHFFFAOYSA-N 436.555 2.197 0 40 IEAB COc1cc(N)c(Cl)cc1C(=O)OCCOc1ccc(S(=O)(=O)N(C)C)cc1 12795554 NLDAKOMXYOJZLS-UHFFFAOYSA-N 428.894 2.417 0 40 IEAB C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)N[C@H]1CCS(=O)(=O)C1 12906509 PYQXRGMFXOKAAC-KBPBESRZSA-N 441.571 2.243 0 40 IEAB Cc1nn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)nn2)c(C)c1C 13009417 SIOQHTPUAUTFMG-UHFFFAOYSA-N 430.509 2.238 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccnc3)[nH]c2=O)C1 19337585 ZYBOXFMYCSXNKV-FQEVSTJZSA-N 444.495 2.126 0 40 IEAB COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2ccc(F)cc2)CC1 19593983 AYCYCFADSZZWHL-OAQYLSRUSA-N 426.496 2.379 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3ccnn3C(C)C)CC1)C2=O 19700689 LPVNHFXYHVEJJR-UHFFFAOYSA-N 444.580 2.113 0 40 IEAB CC(C)NC(=O)c1sc2ncccc2c1[C@@H]1CN(S(=O)(=O)N2CCCC2)CCO1 19703069 IPLZXMROJIQQAY-HNNXBMFYSA-N 438.575 2.148 0 40 IEAB COCCCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C3 19821259 KJRZBFOPHOQXDC-AWEZNQCLSA-N 439.468 2.051 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(OC)c(OC)c2)cc1Cl 20013980 VIPQZYLJTJCGHW-UHFFFAOYSA-N 442.921 2.303 0 40 IEAB NC(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cn2)C1 23844759 SPYHPKFHRHDHBY-HXUWFJFHSA-N 442.585 2.427 0 40 IEAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CCS(=O)(=O)CCC(N)=O)CC2 25392144 VWDGBBRHNNPDCH-HXUWFJFHSA-N 438.571 2.003 0 40 IEAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(CCO)CC2)cc1OC 25666296 MPMQQFYTXJIXRV-UHFFFAOYSA-N 436.512 2.307 0 40 IEAB O=C(NCCOc1ccc2nnc(-c3ccccc3)n2n1)c1cnn(-c2ccccc2)n1 38499735 URICZGGBEGWLMU-UHFFFAOYSA-N 426.440 2.181 0 40 IEAB COc1cc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C)cc3)c2=O)cc(OC)c1 40478031 NBCQCPQFNUEKKI-UHFFFAOYSA-N 434.456 2.001 0 40 IEAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)C(=O)NC(C)(C)C 48302675 XHMGBNWONWAWFK-YJBOKZPZSA-N 449.548 2.135 0 40 IEAB COC(=O)c1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc(C(=O)OC)c1 57400931 LPJYOXJDDPKMBY-UHFFFAOYSA-N 429.448 2.160 0 40 IEAB C[C@@H]1CN(c2ccc(NC(=O)N3CCC(C(=O)NCCCO)CC3)cc2F)C[C@@H](C)O1 72318894 QCQKRRVVDPFATK-HZPDHXFCSA-N 436.528 2.182 0 40 IEAB COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)[nH]n2)c1 77101247 JXPRCNJIIAVEGR-UHFFFAOYSA-N 430.468 2.331 0 40 IEAB Cc1nc2cc(C3CCN(C(=O)Cc4n[nH]c(=O)c5ccccc45)CC3)nn2c(O)c1C 100137297 DYBLXJWILIUCOK-UHFFFAOYSA-N 432.484 2.237 0 40 IEAB COc1ccc(N([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1OC 220233693 CHHQPDRXYLOCBM-CYBMUJFWSA-N 436.486 2.268 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 222461038 YFHSTMCGZSOGRA-MRXNPFEDSA-N 435.521 2.063 0 40 IEAB Cc1ncsc1CN1CC[C@@H]2C(N3CCN(C(=O)c4ccccc4)CC3)=NO[C@H]2C1 306140440 UTUGCDBRRGZVBK-OALUTQOASA-N 425.558 2.444 0 40 IEAB Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1 408596867 SVDJVGUIQMZKKL-UHFFFAOYSA-N 438.933 2.365 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC(=O)Nc3cc(F)ccc31)CCC2 523143570 IYLJIRRKEYZNDO-QGZVFWFLSA-N 431.489 2.481 0 40 IEAB COC(=O)[C@H](NC(=O)c1ccccc1)[C@H](c1c(O)cc(O)cc1O)P(=O)(OC)OC 1626672 DPXHLJYLCMEQPX-SJORKVTESA-N 439.357 2.302 0 40 IEAB CCNC(=O)NC(=O)CSc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC 6153633 IIRCIESHIFKEIZ-UHFFFAOYSA-N 441.579 2.025 0 40 IEAB CCOC(=O)c1ccc(NC(=O)Cn2cnc3c(nnn3-c3cccc(C)c3)c2=O)cc1 8903507 KGWGCMJCEZFCKW-UHFFFAOYSA-N 432.440 2.101 0 40 IEAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1N1CCN(C(=O)c2ccco2)CC1 9165614 XSSCDYKZBXPHTB-UHFFFAOYSA-N 436.468 2.273 0 40 IEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1 9253604 FULVRDQEZAOJLE-UHFFFAOYSA-N 436.512 2.396 0 40 IEAB Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc4c(c3)OCO4)s2)s1 9391098 XAJCGWBCRWBJRX-UHFFFAOYSA-N 436.500 2.410 0 40 IEAB COc1cc(NC(=O)CN2CCC3(CC2)N=C(c2ccc(C)cc2)C(=O)N3)cc(OC)c1 9526737 UTFRHWHLWMHMTK-UHFFFAOYSA-N 436.512 2.362 0 40 IEAB C[C@@H](OC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)Nc1ccccc1 10688752 CVNPULFFGCSVSG-QAPCUYQASA-N 432.498 2.328 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NCCNc2ccc(Nc3cccc(C)n3)nn2)c1 11697141 OBSBGJBHIVROMB-UHFFFAOYSA-N 444.517 2.331 0 40 IEAB COc1cccc(NC(=O)c2cc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)ccc2F)c1 12031362 FRPXJEJVPVDMNI-OAHLLOKOSA-N 427.475 2.047 0 40 IEAB Cc1sc2nc(COC(=O)c3ccc(CCNS(C)(=O)=O)s3)nc(N)c2c1C 12523454 BYIRBEYKOFWLFB-UHFFFAOYSA-N 440.572 2.401 0 40 IEAB Cc1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)nc2)ccc1Br 12944415 GRSFIRGRJAGSKG-UHFFFAOYSA-N 426.336 2.468 0 40 IEAB CCCCN(C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 14168814 VCJDGMVVRSVTQT-KRWDZBQOSA-N 430.592 2.147 0 40 IEAB COc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 14373792 KKMSCPBZEBWMLO-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB COc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(F)cc3)CC2)c1 15824881 KIHBWPVQNABBJT-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB COc1ccc(CCNC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)cc1OC 15858608 MVEQHABYMMFHFH-UHFFFAOYSA-N 446.525 2.379 0 40 IEAB biogenic COc1cn(CC(=O)NCc2ccco2)c(CN2CCN(c3ccccc3)CC2)cc1=O 16974699 BGDRGXODEBWYLH-UHFFFAOYSA-N 436.512 2.089 0 40 IEAB COc1cccc(CN2CCC(c3cc(C(=O)N4CCC[C@H](C(N)=O)C4)on3)CC2)c1 19564893 RPXXIUVDNWOZKR-SFHVURJKSA-N 426.517 2.400 0 40 IEAB O=C(NCCO)c1sc2ncccc2c1[C@H]1CCN(C(=O)Cn2cnc3ccccc32)C1 19702219 TUUQXGAWJFELLZ-HNNXBMFYSA-N 449.536 2.384 0 40 IEAB O=C(Cn1cc(C(=O)N2CCCC[C@H]2CN2CCCC2)ccc1=O)NCc1ccccc1 19751032 KJDNLNQOWQMNEF-QFIPXVFZSA-N 436.556 2.255 0 40 IEAB COc1cccc(N2C[C@H](C(=O)NCCNC(=O)c3cc4ccccc4n3C)CC2=O)c1 32070053 OUZMIMXZGCZLIA-QGZVFWFLSA-N 434.496 2.086 0 40 IEAB COc1ccc(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1OC 33821787 DMYOOPSREMVGOU-VUYBDXIFSA-N 433.464 2.135 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3ccccc3)CC2)Oc2ccc(Cl)cc21 38836106 RRCCNXIOSRQQSU-LJQANCHMSA-N 435.933 2.216 0 40 IEAB C[C@H](NC(=O)[C@@H]1CSCN1S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1 40556231 QAQLIGFJYFNGII-YOEHRIQHSA-N 434.539 2.399 0 40 IEAB CCc1nc(-c2ccc(N3CCN(C(=O)[C@@H]4CC(=O)N(c5ccccc5)C4)CC3)nc2)no1 44094685 XFHODDYVGHYLOZ-GOSISDBHSA-N 446.511 2.396 0 40 IEAB CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)c2ccccc2NS(C)(=O)=O)CC1 72394651 WPZJJUOAROXJPX-KRWDZBQOSA-N 436.559 2.244 0 40 IEAB Cc1cc(C)n2nc(CCCOC(=O)[C@@H](NS(=O)(=O)c3ccccc3)C(C)C)nc2n1 79052239 RXCWUGJQJSOLMI-IBGZPJMESA-N 445.545 2.220 0 40 IEAB Cc1cccc(-c2noc(CNC(=O)[C@@H]3CCN(S(C)(=O)=O)c4ccccc4O3)n2)c1 222749664 QXOVNEOHAMQLMU-SFHVURJKSA-N 442.497 2.279 0 40 IEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cnc3sc4c(n3c2=O)CCCC4)c1 223042606 FTFHBYRNAVDATD-UHFFFAOYSA-N 432.527 2.104 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCCN2c3ccccc3C[C@H]2C)cc1 260815104 RMHTUKJGZCGEMP-QGZVFWFLSA-N 431.558 2.273 0 40 IEAB COC(=O)c1cc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc(C(=O)OC)c1 408678275 DWEKYUDQWJUGFX-UHFFFAOYSA-N 448.497 2.445 0 40 IEAB CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)cc1 575620185 OMCYDYMKMLZFDC-UHFFFAOYSA-N 428.558 2.039 0 40 IEAB Cc1ccnc(NC[C@@H]2CCN([C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C2)c1 590935778 XECDNMRVCWIIRI-MSOLQXFVSA-N 445.589 2.401 0 40 IEAB Cc1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)no1 2663678 UVNJTZDCVIDSEG-ZIAGYGMSSA-N 435.502 2.445 0 40 IEAB Cc1c(Cl)cnc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2)c1Cl 3298908 JGGBWJHEGPSFFM-UHFFFAOYSA-N 432.285 2.157 0 40 IEAB C[C@@H](NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)c1ccc2c(c1)OCO2 8745757 YFHAYDSGSQPERL-ACJLOTCBSA-N 434.452 2.237 0 40 IEAB CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1c2ccccc2Oc2ccccc21 9119845 QMSWBIVCOFTHCY-HNNXBMFYSA-N 428.510 2.076 0 40 IEAB CN(c1ccc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1)S(C)(=O)=O 9222435 PTNVJXXIBRSUJQ-QFIPXVFZSA-N 441.509 2.049 0 40 IEAB Cn1nc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c2ccccc2c1=O 9428831 VMQAOEHSRQMQRL-UHFFFAOYSA-N 434.452 2.153 0 40 IEAB CCOCCCNC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 9442429 GUQROINLHMZOIG-UHFFFAOYSA-N 438.575 2.218 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 9713066 UAYQMOWEGPOJDP-UHFFFAOYSA-N 445.541 2.101 0 40 IEAB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)Nc1ccc(-n2cnnn2)cc1 12583633 UDMXQVBRMYZADH-UHFFFAOYSA-N 432.531 2.080 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)COc2ccccc21 12852367 HZXGCTPIQLJHNO-UHFFFAOYSA-N 432.274 2.238 0 40 IEAB CCN(C(=O)CCN1C(=O)S/C(=C\c2cccs2)C1=O)[C@H]1CCS(=O)(=O)C1 13572656 RNMUNJXEYMRWFR-GVIGZQTCSA-N 428.557 2.210 0 40 IEAB COc1ccc(-c2noc(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)n2)c(OC)c1 14202220 WLJGPIQGIVGOOS-UHFFFAOYSA-N 428.426 2.306 0 40 IEAB Cn1cc(C(=O)N2CCC[C@H](c3nc4c(c(=O)[nH]3)CN(Cc3cccs3)CC4)C2)cn1 19290556 CDOZCUZXZYEDDO-HNNXBMFYSA-N 438.557 2.143 0 40 IEAB CCOc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)ccc1OC 19531978 JHXPUTRDRVCNBH-GOSISDBHSA-N 428.533 2.393 0 40 IEAB COC(=O)c1sc(NC(=O)CN(C)Cc2ccc3c(c2)OCO3)c(C(=O)OC)c1C 19541890 DHPHJJITZZLVSL-UHFFFAOYSA-N 434.470 2.429 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)CN(C)C)C2)nc2c1CC(=O)N2CCc1ccccc1F 19743742 FWDTXMNIDMCDDV-GOSISDBHSA-N 439.535 2.324 0 40 IEAB CC(=O)N1CCC[C@@H]1c1nc(CN(C)CCS(=O)(=O)c2ccccc2)cc(N(C)C)n1 19760203 LHPQBNMEIANMMB-HXUWFJFHSA-N 445.589 2.132 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)NCC3(N4CCN(C)CC4)CCCCC3)CC2=O)cc1 20412655 WIWLLUFYHUNETH-IBGZPJMESA-N 428.577 2.115 0 40 IEAB O=C(NCCNS(=O)(=O)c1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2ccccc2)C1 20716978 YFXBYNDPVDMAGN-LJQANCHMSA-N 437.521 2.287 0 40 IEAB COC(=O)C1CCN(C(=O)COC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 21840042 GEYOVWACZLICIJ-UHFFFAOYSA-N 431.485 2.224 0 40 IEAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCC[C@H](C(F)(F)F)C1 22382518 SEBJQOACUYWDGT-ZFWWWQNUSA-N 448.463 2.412 0 40 IEAB Cc1cc(C(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1CCc1ccccc1 22919732 DKGXZXQAPWBZIG-JOCHJYFZSA-N 443.613 2.335 0 40 IEAB C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)C(C)(C)C 23471593 RFTURZOZNPLRTJ-LKFCYVNXSA-N 426.318 2.180 0 40 IEAB COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)C1=O 34846401 KWXGWNGGKDPBRG-CXUHLZMHSA-N 440.408 2.038 0 40 IEAB C[C@H](NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](CNC(N)=O)C1)c1ccccc1 36390359 XWNZVNFFWYBSDZ-ZWKOTPCHSA-N 437.544 2.496 0 40 IEAB COc1cccc(Cn2nnc3c(=O)n(Cc4nc(-c5ccc(F)cc5)no4)cnc32)c1 44166567 XWPUXVBYEFZQJM-UHFFFAOYSA-N 433.403 2.282 0 40 IEAB CCn1cc(C(=O)NCCc2ccc(Cl)cc2)c(S(=O)(=O)N2CCSCC2)n1 49400419 IAZQFVDUPHYVEV-UHFFFAOYSA-N 442.994 2.266 0 40 IEAB Cc1nc2sc3c(c2c2nn(CC(=O)N4C[C@H](C)O[C@H](C)C4)c(=O)n12)CC[C@@H](C)C3 57731278 SSJXMSNWGJMNFN-UPJWGTAASA-N 429.546 2.175 0 40 IEAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)CC1 61239215 OBPQCSNEFZMZOV-UHFFFAOYSA-N 430.530 2.012 0 40 IEAB COc1ccc(NC(=O)C2=NN(CC(=O)Nc3cc(OC)cc(OC)c3)C(=O)CC2)cc1 67336733 UMXQJWVXTIHBOF-UHFFFAOYSA-N 440.456 2.268 0 40 IEAB CC(C)(C(=O)NCCS(=O)(=O)N1CCSCC1)c1cccc(Br)c1 78618878 RQZYIYVGIMMUCN-UHFFFAOYSA-N 435.409 2.222 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1C)CC2 79493718 NPVLBFNUGKOXBE-QGZVFWFLSA-N 433.530 2.075 0 40 IEAB COc1cccc(OCCc2nnc(NC(=O)CN3C(=O)c4ccccc4C3=O)s2)c1 95116465 PDESMHOGMBTRCB-UHFFFAOYSA-N 438.465 2.403 0 40 IEAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)CCn3ncc4ccccc4c3=O)cc2n1 100139118 FIKQLIMJCSZTMA-IBGZPJMESA-N 432.484 2.461 0 40 IEAB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCc1ccc(Cl)cc1Cl 102399830 NBIFUDPTAIIPHK-OKILXGFUSA-N 427.284 2.328 0 40 IEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCCCN2CCc3ccccc3C2)s1 224456981 DSQLQTOFRJVTJU-UHFFFAOYSA-N 437.591 2.249 0 40 IEAB CC(C)Cc1cc(C(=O)NCc2cccc([C@@H]3NC(=O)N[C@H]4OCCC[C@H]43)c2)nc(O)n1 257246743 IVPRODMGSFSIDX-CUWPLCDZSA-N 439.516 2.417 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)Oc2ccccc21 260380299 QTZKRMNOTZHJMZ-VLIAUNLRSA-N 434.514 2.498 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCC[C@H](C)C3)CC2)cc1 260905919 TWVNPMFOZKGEJS-SFHVURJKSA-N 437.606 2.334 0 40 IEAB CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 408613072 ZTNOSZCHZIPJEH-AIADIJKESA-N 443.569 2.220 0 40 IEAB O=C(c1cc(S(=O)(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c[nH]1)N1CCCC1 570309420 BXTIXDKTLAUEHB-OAQYLSRUSA-N 435.521 2.006 0 40 IEAB O=C(c1ccccc1Cn1cccn1)N1CC[C@@](O)(CN2CCN(c3ccccc3)CC2)C1 585262135 CFRYWLUROPYLRP-AREMUKBSSA-N 445.567 2.331 0 40 IEAB O=C(c1cccc(-n2cccn2)c1)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1 606440494 JPFQUAUULXQSTD-UHFFFAOYSA-N 435.406 2.303 0 40 IEAB O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)O)C1 685945098 UOHSSPSYONUKQJ-JLCFBVMHSA-N 427.478 2.367 0 40 IEAB O=C(CC1(N2Cc3ccccc3C2=O)CCN(Cc2ccccc2)CC1)Nc1nn[nH]n1 1565524943 YSMFMHULAKPTAX-UHFFFAOYSA-N 431.500 2.219 0 40 IEAB COCC(=O)N[C@H](C(=O)NC[C@H](Cc1ccccc1)N(C)C(=O)OC(C)(C)C)C(C)C 1637687714 BCAUEPMBDUFBBN-ICSRJNTNSA-N 435.565 2.368 0 40 IEAB CNC(=O)C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1NC(=O)c1cccc(F)c1 1073425 SMTDIXXXBMGJOS-OAHLLOKOSA-N 434.880 2.262 0 40 IEAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 2723447 YWNFAMSUZKNDHO-UHFFFAOYSA-N 432.433 2.149 0 40 IEAB CCOCCn1c(=O)c2c(nc3n2CCCCN3c2ccc(OCC)cc2)n(C)c1=O 4370620 NTOYVSQCPRCPTB-UHFFFAOYSA-N 427.505 2.264 0 40 IEAB Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 9515766 ZDNKRWSUGOCLSP-JOCHJYFZSA-N 429.440 2.102 0 40 IEAB CC(C)n1c(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2cc(Cl)ccc2c1=O 9789385 STMXDILJGQFSDD-CYBMUJFWSA-N 443.978 2.368 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccccc3Cl)CC2)cc1 9956554 XMPXQMHTJSJRNS-UHFFFAOYSA-N 449.960 2.301 0 40 IEAB CCc1sc(C(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1C 9957751 KLMZIKNRZZBZSL-UHFFFAOYSA-N 442.541 2.393 0 40 IEAB COc1cc(C(C)=O)ccc1OCC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1 9963529 JOQFCAHJJXZGTD-UHFFFAOYSA-N 440.452 2.351 0 40 IEAB Cc1ccc(-n2nc3c(c2NC(=O)C(=O)N[C@@H](C)c2ccccc2)CS(=O)(=O)C3)cc1 10250500 JLJTYEDYLSYOMC-HNNXBMFYSA-N 438.509 2.425 0 40 IEAB CC[C@@]1(c2ccc(NC(=O)C(=O)N3CCN(c4ccccc4)CC3)cc2)CCC(=O)NC1=O 12325148 ZWUCNRWODPUMCJ-VWLOTQADSA-N 448.523 2.058 0 40 IEAB COc1ccccc1-c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)N2CCOCC2)n(C)n1 12601964 PJVKVLSVUWQMSM-NSHGMRRFSA-N 439.560 2.315 0 40 IEAB biogenic,in-vitro O=C(Cn1cncn1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 12754364 CDDNHRYCGKZZJA-ACAGNQJTSA-N 426.285 2.438 0 40 IEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14077636 SYDGQILIZDTECC-YESZJQIVSA-N 427.501 2.099 0 40 IEAB CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc3c(c2)OCO3)cc1Cl 16692543 KRDZOUAYYPWOPK-UHFFFAOYSA-N 440.905 2.404 0 40 IEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)NC[C@@H]3CCCO3)c12 16992999 AYJOUYUJBIHTSG-CABCVRRESA-N 444.513 2.268 0 40 IEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc2nc(N3CCOCC3)sc2c1 18113724 AEJWJRQBYCYZKJ-HOTGVXAUSA-N 440.525 2.413 0 40 IEAB O=C(NCc1ccccc1)c1cccn(CC(=O)N2CCCC[C@@H]2CN2CCCC2)c1=O 19750338 YNSVATDDVUFYDS-OAQYLSRUSA-N 436.556 2.255 0 40 IEAB CC1(C)OC(=O)C[C@H]1C(=O)N1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1 19757230 CKJZNEBJKXFDQC-SFHVURJKSA-N 428.533 2.272 0 40 IEAB COc1ccc(OCCN2CCN([C@@H](C(=O)N3CCOCC3)c3ccccc3)CC2)cc1 22787511 WHNJTDQPNCCRBQ-XMMPIXPASA-N 439.556 2.292 0 40 IEAB Cc1c(CC(=O)NCC2(N3CCN(C)CC3)CCCCC2)c(=O)oc2cc(O)ccc12 22934494 YCZOYDICIFSYLQ-UHFFFAOYSA-N 427.545 2.416 0 40 IEAB COc1cc(NC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc(OC)c1OC 23864583 PSEYHXQMNNIZBR-QHCPKHFHSA-N 439.468 2.435 0 40 IEAB COc1cc(C(=O)N[C@@H]2CCOc3ccccc32)ccc1OCC(=O)N1CCOCC1 24646174 WIJOHQITDODJMC-GOSISDBHSA-N 426.469 2.186 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 24682617 DKDGLNYSUZIQBL-KRWDZBQOSA-N 447.557 2.159 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)N2CCN(c3ccccc3F)CC2)Oc2ccccc21 26112593 QNOABHBBXFOQCK-HXUWFJFHSA-N 433.505 2.092 0 40 IEAB O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32719073 VLLOAAMRZXELRF-QGZVFWFLSA-N 441.484 2.245 0 40 IEAB COc1ccnc(N2CCN(C(=O)c3cnn(-c4ccc(C(F)(F)F)cn4)c3C)CC2)n1 40151717 GTOMFOPNNOGPSW-UHFFFAOYSA-N 447.421 2.356 0 40 IEAB Cc1cc(NC(=O)CN(C)C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)no1 59363892 SQPWHFZQXCALGI-CQSZACIVSA-N 435.278 2.196 0 40 IEAB C[C@@H]1CN(S(=O)(=O)CCNC(=O)c2cccnc2SC2CCCC2)C[C@@H](C)O1 69923151 VTLHGKWOAOFJMP-HUUCEWRRSA-N 427.592 2.285 0 40 IEAB COc1ccc(NC(=O)CS[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1 100506282 LIJNMPVHNROORX-SFHVURJKSA-N 428.466 2.470 0 40 IEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O 222887819 QKZXYESTESNKAL-IBGZPJMESA-N 445.585 2.275 0 40 IEAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCCN1CCOCC1 223177237 LBAMVERFQWLTJL-RTWAWAEBSA-N 429.590 2.224 0 40 IEAB COc1cccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(C)(=O)=O)c1 224765184 OTXNEUDBMSDVNV-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225193090 CNNZGYXJXYGBKG-HNNXBMFYSA-N 437.949 2.269 0 40 IEAB Cc1n[nH]c(SCCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)n1 226077561 MCSRSPIHDOCUOP-CYBMUJFWSA-N 443.982 2.076 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@H]3CCOC(C)(C)C3)cc2)C1 245227764 UPOORBCRPUOJBY-CVEARBPZSA-N 430.592 2.343 0 40 IEAB COc1cccc([C@H]2CCN(CC(=O)NCCc3ccc(OC)c(OC)c3)C[C@H]2O)c1 248185963 HNIWTUPMNMQCFA-NHCUHLMSSA-N 428.529 2.222 0 40 IEAB O=C1CCCC[C@]2(CN(Cc3ccnc(N4CCOCC4)n3)C[C@H]2c2ccc(F)cc2)N1 257290776 QEHINFHVOXHQCU-XUZZJYLKSA-N 439.535 2.481 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 257294761 QVPSLVZJWBZACU-MRXNPFEDSA-N 430.465 2.220 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)cc1C 257338473 YXNKONAHFBMOAO-SFHVURJKSA-N 426.502 2.389 0 40 IEAB CC(=O)c1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408665254 REMJWRZNYZSMQJ-KHDMTIDOSA-N 438.480 2.203 0 40 IEAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)C)S(C)(=O)=O)cc1OC 409024679 NCTIMQNSNASXFX-UHFFFAOYSA-N 449.529 2.247 0 40 IEAB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCC(C(N)=O)CC3)cc2)cc1C 409377101 DKMHKPIPZZZYBV-UHFFFAOYSA-N 445.541 2.207 0 40 IEAB COc1cc(NC(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)cc(OC)c1 932319 NEXMASUVFPIFMQ-UHFFFAOYSA-N 431.474 2.428 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(-c3cccnc3)s2)cc1 3188908 PFMPCZHIFGMHGH-INIZCTEOSA-N 445.526 2.401 0 40 IEAB CCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nnc1-c1cccs1 3407459 DLESBDIHHRXPDR-UHFFFAOYSA-N 434.547 2.405 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc4c(c3)OCCO4)CC2)cc1C 3428181 VSYJCUXGMJTFQR-UHFFFAOYSA-N 430.526 2.150 0 40 IEAB O=C(NCCc1ccccc1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1 8601543 MCXUCMRIJGISDR-HXUWFJFHSA-N 426.494 2.270 0 40 IEAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1 8735853 IYERBJLMODDGKD-XVNBXDOJSA-N 446.481 2.097 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1cnc2sccc2c1=O 8993940 OUIBTFBZUQPGHE-UHFFFAOYSA-N 435.303 2.284 0 40 IEAB COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2ccc3c(c2)OCO3)cc1 9126713 GFXMGNBPLFWXKE-UHFFFAOYSA-N 445.435 2.080 0 40 IEAB Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1cccnc1 9240408 VOEUUHGBKRKAIB-WOJGMQOQSA-N 426.498 2.384 0 40 IEAB COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2C)cc1 9263391 YAQYCGNHLUODKT-UHFFFAOYSA-N 437.525 2.435 0 40 IEAB COc1cc(C(=O)Nc2cc(C)nn2-c2nc3c(c(=O)[nH]2)CCC3)cc(OC)c1OC 9660402 ZZCQZVHBUOPUIE-UHFFFAOYSA-N 425.445 2.031 0 40 IEAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@]3(CCc4ccccc43)C1=O)O[C@@H](C)C2 9778591 WQBAGWWFWQPHJB-MQNRADLISA-N 449.507 2.418 0 40 IEAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851765 GEYPBEPEEWLXPQ-SFHVURJKSA-N 443.511 2.386 0 40 IEAB O=C(Cc1cccc2ccccc12)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 12444819 DVCOZIOFDQIUIX-UHFFFAOYSA-N 438.553 2.046 0 40 IEAB COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1S(=O)(=O)c1ccc(F)cc1 12530234 KQEOICBEOOFWPZ-IBGZPJMESA-N 429.473 2.359 0 40 IEAB biogenic,in-vitro CCOc1ccc([C@@H](Cn2c(=O)[nH]c3ccccc3c2=O)N2CCOCC2)cc1OC 12737454 FALDJKJLEWOTEY-LJQANCHMSA-N 425.485 2.171 0 40 IEAB CC[C@H](C)[C@@H](NC(=O)[C@@H]1Nc2ccccc2NC1=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 13623542 RRRCZLRUTYKLJR-GDIGMMSISA-N 443.592 2.376 0 40 IEAB O=C(Nc1ccn([C@@H]2C[C@H](O)[C@@H](COC(=O)c3ccccc3)O2)c(=O)n1)c1ccccc1 14960527 ADBLMNPUSHTBKL-NSHGMRRFSA-N 435.436 2.001 0 40 IEAB COc1ccc(CCCN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1OC 15118188 NDAXDGGTMIKFAI-UHFFFAOYSA-N 448.589 2.104 0 40 IEAB CCN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1ccc(OC)cc1 16678353 VWYBPDQXHTXZDC-UHFFFAOYSA-N 435.521 2.194 0 40 IEAB O=C(c1ccncc1)N1CCO[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19759310 PHVASJAGPUHGHG-QFIPXVFZSA-N 432.480 2.316 0 40 IEAB COc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC 20043159 DIAFBNSTCWYVIJ-UHFFFAOYSA-N 436.555 2.329 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccc(F)cc1 20245120 GHXPQSRHYMWYBW-UHFFFAOYSA-N 425.551 2.488 0 40 IEAB Cc1nnc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n1Cc1ccccc1 23818020 QWRWRDMSYLCHNU-UHFFFAOYSA-N 442.545 2.259 0 40 IEAB C[C@@H]1CN(C(C)(C)CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)C[C@@H](C)O1 25408630 RBNAGCLKMWTDGH-HZPDHXFCSA-N 431.624 2.153 0 40 IEAB C[C@@H]1Oc2ccc(N[C@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2NC1=O 25703799 FHHNYLFZGZLPJQ-OLZOCXBDSA-N 432.502 2.095 0 40 IEAB CC(=O)N1[C@@H](C)CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1C 32088018 LRMADKFQHZGZLJ-AOOOYVTPSA-N 434.443 2.341 0 40 IEAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(OCC(=O)O)c(OC)c1 36612829 RLAFRIIKMULLHX-FQEVSTJZSA-N 426.425 2.487 0 40 IEAB COCCn1/c(=N\C(=O)Cn2c(=O)oc3ccccc32)sc2cc(C(=O)OC)ccc21 38830548 YHFXZAAINLULBR-LSDHQDQOSA-N 441.465 2.171 0 40 IEAB CSc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)c2snnc2C)CC1 43942210 HGICMCXTYPBOLY-UHFFFAOYSA-N 433.559 2.176 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2ncc3ccccc3c2=O)ccc1C 46569670 PHWQYCKJYAKQBA-UHFFFAOYSA-N 428.514 2.374 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC1)CNC2=O 72328023 FRVLBLRDILQVOX-UAVUOLJFSA-N 443.544 2.073 0 40 IEAB Cc1cc2nnc(SCC(=O)N(c3ccc(F)cc3)[C@H]3C=CS(=O)(=O)C3)n2c(C)n1 78875378 DEFJJLNMZHUCMF-INIZCTEOSA-N 447.517 2.316 0 40 IEAB O=C(C1CC1)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C2CCOCC2)CC4)C1 100233620 NHVFSHUBEGHUAD-INIZCTEOSA-N 425.533 2.088 0 40 IEAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](C)C(=O)O)CC1 100772724 JUZONQPLLGKSSF-LVQVYYBASA-N 427.542 2.048 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21)Nc1ccccc1Cl 101352910 XSOZGOLLDNCZCO-ROUUACIJSA-N 441.831 2.043 0 40 IEAB CCCC[Sn](CCCC)(SC[C@@H](O)CO)SC[C@H](O)CO 195915430 BPZBMXMGCUKIDL-CZQLCRJWSA-L 447.251 2.202 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCCN3CCOCC3)cc2)cc1 224428368 WTAGLDYGQQUKOM-UHFFFAOYSA-N 445.585 2.268 0 40 IEAB O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCCSc1ncn[nH]1 226026795 MFKKEJRMHLMQOS-UHFFFAOYSA-N 449.533 2.043 0 40 IEAB O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CCN(C4CCCC4)C[C@@H]13)O2 253404641 RGEMYKZIQZEZPG-ONTIZHBOSA-N 439.556 2.368 0 40 IEAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)C2)ncn1 257237166 HFKGRCXABBUVPB-IBGZPJMESA-N 434.422 2.441 0 40 IEAB COC(=O)c1cc(NC(=O)N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)cc(Cl)c1F 616896819 UDLPXOVKVQUMMF-SJCJKPOMSA-N 440.903 2.282 0 40 IEAB Cc1ccc(C(=O)N2CCC3(CCCCOCCCNC(=O)[C@H](C)NC3=O)CC2)cc1 643564823 IHAGGCCPOUQDPB-IBGZPJMESA-N 429.561 2.429 0 40 IEAB CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCCCn1c(=O)[nH]c2ccccc21 8946056 VSBUIBZYRRATSI-IBGZPJMESA-N 431.514 2.266 0 40 IEAB Cn1c(CCC(=O)Nc2ccc(F)cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 9125479 JHHRWNDWMLXLCH-UHFFFAOYSA-N 446.504 2.305 0 40 IEAB COc1ccc([C@@H]2C/C(=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)NN2C(C)=O)cc1 9430242 PFFRDSLPQFWPHC-HQMFNGAOSA-N 434.452 2.026 0 40 IEAB O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)Nc1ccc(F)cc1 9660783 PFBOVOMTZLDXQK-UHFFFAOYSA-N 428.439 2.490 0 40 IEAB O=C(CSc1nnc(N2CCCCC2)n1C1CC1)N1CCN(c2ccccn2)CC1 11779527 IKEVDYBOZGEWOB-UHFFFAOYSA-N 427.578 2.439 0 40 IEAB Cc1nc(C2CCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)c2cccnc2n1 12253980 ZLSYEHXCCMGMMZ-UHFFFAOYSA-N 439.541 2.319 0 40 IEAB COc1cc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C[C@H]2CCCO2)ccc1O 12525722 CZCWZNFPZXXFLJ-QGZVFWFLSA-N 448.479 2.495 0 40 IEAB CCc1ccc([C@@H](CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)N(C)C)cc1 12772022 LCAFDBHCIDQWBP-HXUWFJFHSA-N 429.542 2.067 0 40 IEAB O=C(CSc1nnnn1Cc1cccs1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 13406983 IBQHLVJNENXWJW-INIZCTEOSA-N 442.526 2.168 0 40 IEAB C[C@@H]1Cc2cc(C(=O)CN3C(=O)N[C@](C)(c4ccccc4)C3=O)ccc2N1S(C)(=O)=O 14084942 ZLRKDUOKZJVDFC-JLCFBVMHSA-N 441.509 2.047 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2)cc1 16013492 LXSIRQCYQIAMMB-UHFFFAOYSA-N 445.541 2.436 0 40 IEAB Nc1c(C(=O)[C@@H]2CCCN2C(=O)CN2CCCCCC2=O)cnn1-c1ccc(F)cc1 19337085 LLWWNMCUTHKFCP-SFHVURJKSA-N 427.480 2.170 0 40 IEAB Cc1nc(-c2ccncc2)ncc1S(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 19552896 PGMULWBTSQRLIZ-UHFFFAOYSA-N 427.505 2.493 0 40 IEAB CNC(=O)NC(=O)CSc1nnc(CSc2ccc(C)nn2)n1-c1ccccc1 19797179 YATLDMVOKFMWSJ-UHFFFAOYSA-N 429.531 2.206 0 40 IEAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20452217 KHTRKHROJVSFBI-OAQYLSRUSA-N 437.606 2.233 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 20565876 WDDYSDDYCOLBBE-UAKAABGRSA-N 437.471 2.293 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NC[C@@H]3COc4ccccc4O3)C2)cc1 20926477 HRDPQZTWHIHSOM-SJLPKXTDSA-N 446.525 2.052 0 40 IEAB NC(=O)[C@H]1CCCN(C(=O)CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)C1 24147028 YTSQDAGASPWJDC-AWEZNQCLSA-N 448.980 2.337 0 40 IEAB CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1ccc2c(c1)OCO2 24381102 JBMSUBZIUWNZBJ-QGZVFWFLSA-N 436.555 2.174 0 40 IEAB COc1cccc(-c2nc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cs2)c1OC 29506864 MBSAIEGLMFOUQB-UHFFFAOYSA-N 447.538 2.447 0 40 IEAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc(S(N)(=O)=O)cn2C)cs1 32850614 ISSXAWCWBYNZHG-UHFFFAOYSA-N 434.499 2.171 0 40 IEAB Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(c3cccc(Cl)c3)CC2)cc1 35290654 WIEIHRQUWKVOTH-UHFFFAOYSA-N 446.964 2.389 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(F)(F)c1ccccc1 40114715 YYVPKLSUQGRENJ-UHFFFAOYSA-N 426.441 2.447 0 40 IEAB O=C(CCC(=O)N1CCOCC1)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 48280050 QFEQUFPWAVFRQY-QGZVFWFLSA-N 441.450 2.124 0 40 IEAB CCOC(=O)CN(C1CC1)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 57991039 KQHDNMJFZBTWFS-UHFFFAOYSA-N 446.312 2.256 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(N2CCCCCC2)nc1 58061721 XJQRBBCDNNIZOF-HNNXBMFYSA-N 435.550 2.050 0 40 IEAB CNC(=O)c1cccc(-c2noc(C3CN(CC(=O)Nc4ccc(F)cc4F)C3)n2)c1 77099591 DWLDSPSUBVDNBE-UHFFFAOYSA-N 427.411 2.412 0 40 IEAB NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(-c2ccccc2F)s1 84525679 KZJGUPXZKRWEAE-KRWDZBQOSA-N 440.500 2.282 0 40 IEAB CCN1C[C@H]2C3(CCN(C(=O)NCc4ccc(OC)cc4)CC3)CC[C@@]2(C(=O)NC)C1 96143872 CSJSMUXFAFVHNA-GBXCKJPGSA-N 428.577 2.465 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CC[C@]3(CN(c4cccnc4)C(=O)CN3C)C2)cc1 96238062 KIJKMXGDOYANRN-JOCHJYFZSA-N 428.558 2.317 0 40 IEAB CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 96374610 IJCZDNNLTAKODI-UHFFFAOYSA-N 442.603 2.147 0 40 IEAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)ccc21 102133937 XJQVXMUOEHUFJO-JVPBZIDWSA-N 438.480 2.051 0 40 IEAB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3[C@@H]3C=CC=NN32)cc1 229823219 XYJHJKBRXBIALT-KCLUMXDGSA-N 431.448 2.301 0 40 IEAB COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(OC)c3)CC2=O)cc1 408656751 OFPLOPNPPJQSPB-HNNXBMFYSA-N 426.425 2.017 0 40 IEAB COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1 643275767 YWQMIDBLVYEOKT-OAQYLSRUSA-N 446.569 2.034 0 40 IEAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 681676994 FETBXPLBDJOZNK-QFIPXVFZSA-N 425.510 2.172 0 40 IEAB COCCNC(=O)[C@H]1C[C@@H](NCC2CCCC2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O 2332241975 ZAFNPFLRBLEZMC-YVNJGZBMSA-N 426.561 2.452 0 40 IEAB O=C(O)CCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]12 8296519 YKYDSBSELVEUML-PXNSSMCTSA-N 425.416 2.009 0 40 IEAB biogenic,in-vitro CCOC(=O)CNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N(CC)CC)n1 8767967 WTNMNWWJCWHKCJ-UHFFFAOYSA-N 439.476 2.031 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccc6c(c5)OCO6)C(=O)[C@H]24)O3)cc1 9410521 PDNWLAIFJBGZSB-RBODFLQRSA-N 448.475 2.022 0 40 IEAB COC(=O)c1c(NC(=O)c2cccc(S(C)(=O)=O)c2)sc2c1CCN(C(C)=O)C2 9712730 SERNBGFKAZHZIQ-UHFFFAOYSA-N 436.511 2.095 0 40 IEAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9713574 BHLDEUGWGIQECB-KRWDZBQOSA-N 432.893 2.108 0 40 IEAB CN1CCC(N(C)C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)CC1 12232876 LMZIGCPOMJFQQA-KRWDZBQOSA-N 438.557 2.172 0 40 IEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCc2nnc3ccccn23)cc1 12975094 LVFOQGOWHSDBMH-INIZCTEOSA-N 427.530 2.265 0 40 IEAB CCN(C(=O)c1ccc(OC(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 13040613 RWROTBRFDUNSDY-UHFFFAOYSA-N 430.411 2.435 0 40 IEAB C[C@H]1CCCN(C(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)C1 13649097 KSOUFONGQVJPCE-LBPRGKRZSA-N 436.315 2.316 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CCCC2)c2ccccc2)cc1 13668878 PMPVMSBWFRIYQK-UHFFFAOYSA-N 431.558 2.493 0 40 IEAB CCOc1ccc(C(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1OC 14584403 IBCVYXBKSMZLQU-UHFFFAOYSA-N 438.484 2.241 0 40 IEAB CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]12 15959482 VKHSBEXGLVXDJD-CMCWBKRRSA-N 435.549 2.403 0 40 IEAB biogenic Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc3nsnc23)cc1 19077567 ZPMQHLQJEGYXIK-MDZDMXLPSA-N 446.510 2.072 0 40 IEAB Cc1ccc(-n2ncc(C(=O)[C@H]3CCCN(S(=O)(=O)N4CCCCC4)C3)c2N)cc1 19213072 OFUYLOGIZXSGDR-KRWDZBQOSA-N 431.562 2.388 0 40 IEAB NC(=O)[C@H]1CCCN(C(=O)c2cc(C3CCN(C(=O)Cc4cccc(F)c4)CC3)no2)C1 19293695 CKIPOLRTJMGRDW-KRWDZBQOSA-N 442.491 2.100 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)[C@H](C)Cn3cccn3)[nH]c2=O)C1 19501639 YQLQUQWGEMRATA-VQIMIIECSA-N 440.548 2.041 0 40 IEAB CNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN(C(=O)CCn2cnnn2)C1 19591101 OULQXPUPKKMHEZ-QFIPXVFZSA-N 438.557 2.389 0 40 IEAB COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(c2ccccc2F)CC1 19593992 ALSHPQUXWURKPV-OAQYLSRUSA-N 426.496 2.379 0 40 IEAB COc1c(OS(=O)(=O)O)ccnc1C[S@](=O)c1nc2ccc(OC(F)F)cc2[nH]1 22056391 AQQVGUHYOGVLDA-MUUNZHRXSA-N 449.413 2.057 0 40 IEAB COCCn1nnnc1[C@@H](c1ccc(OC)cc1OC)N1CCN(C2CCCCC2)CC1 22928884 IRAKABVEIGFNHF-JOCHJYFZSA-N 444.580 2.376 0 40 IEAB CCCNC(=O)Cn1nc2c(c1NC(=O)[C@@H]1CC(=O)N(c3ccc(C)cc3)C1)CSC2 23138872 IIXDBOMRWOKWEU-OAHLLOKOSA-N 441.557 2.456 0 40 IEAB C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)c1ccc3c(c1)OCCO3)C2=O 23701507 ZPDCKRRGHZRFCA-PSLXWICFSA-N 444.484 2.321 0 40 IEAB C[C@@H](CNC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1 31594287 ITUSURFCVFNVFG-VQTJNVASSA-N 429.586 2.442 0 40 IEAB Cc1nc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c2c(C)c(C)sc2n1 32829893 ZUKIQVCAWYMUAW-STQMWFEESA-N 439.607 2.093 0 40 IEAB Cc1nccn1-c1cc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)ncn1 35598183 UTIQQKCYEYEWRA-UHFFFAOYSA-N 426.424 2.380 0 40 IEAB COc1cccc(CNC(=O)CC[C@H]2N=C(O)N(Cc3ccc4c(c3)OCO4)C2=O)c1 36593970 PCJQYDAUWDCLRY-QGZVFWFLSA-N 425.441 2.145 0 40 IEAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCNS(=O)(=O)c1cccnc1 36762726 LLNWOEUCSHDHDF-UHFFFAOYSA-N 445.328 2.154 0 40 IEAB COCc1nn2c(C)c(C(=O)N3CCOCC3)nnc2c1-c1ccc(Br)cc1 40372547 USNZGTLPCDGYIU-UHFFFAOYSA-N 446.305 2.481 0 40 IEAB COC(=O)c1ccc(NC(=O)Cn2cnc3nc(N4CCCCC4)sc3c2=O)cc1 45970158 QXPINCWANUAJMN-UHFFFAOYSA-N 427.486 2.269 0 40 IEAB Cc1c(C(=O)NCC2CCCCC2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 69564979 CTNGXKZVZCRUJB-UHFFFAOYSA-N 431.562 2.204 0 40 IEAB COc1ccc(CCC(=O)N2CCCC[C@@H]2c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 72374596 BIDZMRGVDQFEFM-HXUWFJFHSA-N 436.512 2.327 0 40 IEAB O=C([C@H]1CCCO1)N1CCC(c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)CC1 72398943 LNMPRHFOIOOMHK-LJQANCHMSA-N 428.558 2.275 0 40 IEAB O=C(NCC1CCN(C(=O)c2ccoc2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 77099762 WIDOSONAOLSLRV-UHFFFAOYSA-N 438.484 2.014 0 40 IEAB Cc1ncc(S(=O)(=O)N2CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)c(-c2ccccn2)n1 100212897 QRTIAKKMJHCLDY-IAGOWNOFSA-N 441.557 2.116 0 40 IEAB Cc1cc(C(=O)CN2CCC[C@H]2C(=O)NCc2ccco2)c(C)n1[C@@H]1CCS(=O)(=O)C1 106924850 OZLZQBSVAGJDBE-XLIONFOSSA-N 447.557 2.021 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccccc2F)CC1 222702259 NGBDUEPKUNPYIP-INIZCTEOSA-N 435.521 2.338 0 40 IEAB CSc1nnc(NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)s1 224298747 MTONQWIOLQHAPQ-UHFFFAOYSA-N 437.366 2.427 0 40 IEAB CN(CCCC(=O)NCc1ccc(CN2CCOCC2)cc1)S(=O)(=O)c1ccccc1 224576050 FAFQIFMGEKOIKA-UHFFFAOYSA-N 445.585 2.236 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1 247754570 YSFFHCWQIMRZLS-CFPPRVJZSA-N 433.512 2.209 0 40 IEAB COc1cccc(N([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)c1 260899615 OUVWVBRVRRXQGC-MRXNPFEDSA-N 433.530 2.325 0 40 IEAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccccc1OC 408710146 QDMWLJVHTLIBMK-GOSISDBHSA-N 438.528 2.164 0 40 IEAB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 409352172 WNEIVVDYZXCLTF-UHFFFAOYSA-N 443.460 2.313 0 40 IEAB CS(=O)(=O)NCc1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)cc1 564176823 WOPONHHCNHPHSI-MRXNPFEDSA-N 436.921 2.316 0 40 IEAB O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNC2(c3ccc(Cl)cc3)CCC2)C1 585291470 QFLHBVBBUWEHRO-CTNGQTDRSA-N 436.961 2.105 0 40 IEAB COc1ccc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4[nH]cc2c34)cc1OCC(N)=O 1547139241 PZRAGXUFXDBJRQ-OAQYLSRUSA-N 446.463 2.241 0 40 IEAB biogenic Cn1cc(-c2cnc(OC3CCN(C(=O)C[C@@H]4COc5ccccc5O4)CC3)nc2)cn1 1889250143 FIHUVQGXSLSSCK-LJQANCHMSA-N 435.484 2.477 0 40 IEAB Cc1nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc(C)c1C 2619865 NXVFEXGZLLXGRI-UHFFFAOYSA-N 436.559 2.154 0 40 IEAB COc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC 6162665 UPHTYVTYRITBOC-UHFFFAOYSA-N 436.848 2.278 0 40 IEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 8718735 FXLOJBKGXSHTLG-UHFFFAOYSA-N 448.545 2.054 0 40 IEAB CCOC(=O)C1CCN(C(=O)COC(=O)COc2ccc(Br)cc2)CC1 9372937 LIVVBJCXFWVTMY-UHFFFAOYSA-N 428.279 2.173 0 40 IEAB COc1cc([C@@H]2c3c(-c4ccc(OC)c(OC)c4)nnc(O)c3Nc3nnnn32)ccc1O 10297284 GTCLGGIPPVNCHP-LJQANCHMSA-N 449.427 2.262 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)NCCOc2ccc(-c3ccc(F)cc3)nn2)cc1 10509484 LAYATGWCJGDSEH-UHFFFAOYSA-N 444.488 2.342 0 40 IEAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 10519060 LVIPLNPHGHTLTI-SNVBAGLBSA-N 436.433 2.373 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(C)c2O)sc(C(=O)NC)c1C 11711797 JFBMPLRHEOUBSD-UHFFFAOYSA-N 434.470 2.402 0 40 IEAB NC(=O)C1CCN(C(=O)CCCSc2ccc(NC(=O)c3ccc(F)cc3)nn2)CC1 11794692 KDDPHJOXMHHDKI-UHFFFAOYSA-N 445.520 2.464 0 40 IEAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c32)cc1 12389008 QAABLNFGVUYOKW-SFHVURJKSA-N 445.479 2.406 0 40 IEAB COc1ccccc1CN(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)c1csnn1 12471952 DPZRHLOWJJYUQC-UHFFFAOYSA-N 440.481 2.234 0 40 IEAB NC(=O)CCN(C(=O)COC(=O)c1cncn1-c1ccc(F)cc1)c1ccc(F)cc1 12559527 GQHROYFMPNXFAS-UHFFFAOYSA-N 428.395 2.216 0 40 IEAB COC(=O)C1=C(C)N([C@@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccc(Br)cc1 12900008 LVUYLLXIZHSONM-UKRRQHHQSA-N 443.319 2.150 0 40 IEAB COc1ccc(CCN2C(=O)CC(=O)N=C2SCC(=O)N2CCCCCC2)cc1OC 12922554 FDWDJJKUCRVOQP-UHFFFAOYSA-N 447.557 2.497 0 40 IEAB CN1C(=O)N(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C(=O)C12CCCCC2 13062908 RUNHKENFBGRZPA-LICLKQGHSA-N 446.573 2.159 0 40 IEAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 13134980 CTLPOOAMFMAEIP-UHFFFAOYSA-N 449.479 2.238 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nnc(N)s1 13140431 BUCKKWWGTQNHAH-UHFFFAOYSA-N 427.577 2.334 0 40 IEAB CS(=O)(=O)N(CCCC(=O)NCCCN1CCCCCC1)c1ccc2c(c1)OCO2 13647625 ZSCADABBKBNTBX-UHFFFAOYSA-N 439.578 2.344 0 40 IEAB CCCC(CCC)C(=O)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164420 GZKXLKJIKIQDRB-NRFANRHFSA-N 428.577 2.269 0 40 IEAB CC(=O)Nc1ccc(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 14251485 IQQVBLGCZNZIIZ-OAHLLOKOSA-N 433.505 2.362 0 40 IEAB CNC(=O)c1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1 15546209 BEINREDCVVYKCQ-NRFANRHFSA-N 436.512 2.265 0 40 IEAB CN(C)S(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3ccccc32)ccc1Br 15911913 LKCPGYPFTLGAPC-UHFFFAOYSA-N 438.303 2.298 0 40 IEAB CCCCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc2C1=O 17851119 YMKRJCOTGYLSRZ-ZDUSSCGKSA-N 429.498 2.221 0 40 IEAB Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c(C)c1 19077337 OHFZOTNCZCWHKW-UHFFFAOYSA-N 445.570 2.253 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(CN(C)C)cc(N(C)C)n3)C2)cc1 19709633 RLTMKXBTOKOJNI-MRXNPFEDSA-N 433.578 2.181 0 40 IEAB Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ncc(C(=O)N4CCOCC4)c(C)n3)ccc2[nH]1 19755750 VTKDSTFGBHYMNS-HXUWFJFHSA-N 434.500 2.419 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCCc2csc(-c3cccnc3)n2)cc1 19942467 FUYVRXHMDRYHQC-UHFFFAOYSA-N 442.522 2.380 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc(C)cc1 20560279 HTIRTVKGVHRZQS-FXAWDEMLSA-N 429.517 2.441 0 40 IEAB O=C(Nc1ccc(-n2cncn2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 23056379 QIGWCHNQJNZTLG-UHFFFAOYSA-N 447.904 2.194 0 40 IEAB O=C(Nc1ccccc1)c1c(O)n(-c2ccccc2)n[n+]1C[C@H](O)CN1CCCCCC1 25182977 MYEKXWBHWLMSEX-OAQYLSRUSA-O 436.536 2.355 0 40 IEAB CC(C)C(=O)N1CCN([C@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)CC1 25436440 FUNOQGQRFALNEJ-VXKWHMMOSA-N 427.570 2.431 0 40 IEAB CCc1c(C(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cnn1-c1ccccn1 31834832 TXNCWNMDUXQTOI-UHFFFAOYSA-N 429.502 2.341 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3cc4ccccc4n3C)CC2=O)cc1 32090506 CHLGIUWLWIFNGU-KRWDZBQOSA-N 434.496 2.086 0 40 IEAB COc1cccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)c1 32926712 JOMHDGCNSCZTOJ-IBGZPJMESA-N 434.514 2.041 0 40 IEAB Cc1ccc(S(=O)(=O)c2cn(C[C@H]3CCCO3)c(=O)n(-c3ccccc3)c2=O)cc1 35681862 RZZBAGMZPGXLRS-GOSISDBHSA-N 426.494 2.319 0 40 IEAB C[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1Cl 40024104 SAMDLICOHZFQIH-CQSZACIVSA-N 429.348 2.240 0 40 IEAB Cc1cccc(NC(=O)[C@H]2CCCN(CC(=O)NC(=O)NCCc3cccs3)C2)n1 40149585 NFGGVMUIEYQGMY-INIZCTEOSA-N 429.546 2.171 0 40 IEAB CC(C)(C)c1cc(=O)n2c(n1)SC[C@H](C(=O)Nc1cccc(NS(C)(=O)=O)c1)C2 90609724 UVGHUIXXCYAYBI-GFCCVEGCSA-N 436.559 2.273 0 40 IEAB O=C(NCCc1ccncc1)c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1 96156103 APSVUJGMJZNXSL-UHFFFAOYSA-N 427.512 2.423 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCSCC1)[C@H]1CC(=O)N(c2ccccc2)C1 210539392 SXLFKCMSMUHIIZ-PZJWPPBQSA-N 437.565 2.342 0 40 IEAB Cc1ccccc1-c1noc(CNC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)n1 223096474 LUVXYGYBARYZCZ-UHFFFAOYSA-N 430.486 2.136 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223566099 XHQMHZQTZWKHRG-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB COc1cccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(C)(=O)=O)c1 224599079 XLHRRPNQMXSZFD-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB CCOC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224897868 JJHCNSCNFFAGSB-UHFFFAOYSA-N 448.497 2.498 0 40 IEAB C[C@H]1C[C@@H](C)CN(c2cc(N3CCCC3)nc(NC(=S)NCCN3CCOCC3)n2)C1 225903192 DDDIGSRHJDODHM-HDICACEKSA-N 447.653 2.178 0 40 IEAB COc1ccccc1CCN1CC(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@H]21 230107999 KOWAHGREUQVFDQ-RTBURBONSA-N 434.945 2.406 0 40 IEAB CCN1CCN(CCCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3O2)CC1 249680122 AIQUNPWMCHPCJV-FQCWUYQVSA-N 440.588 2.085 0 40 IEAB CCn1c(C)nc2cc(C(=O)N3C[C@@H](O)[C@H](n4ccc5cc(C(N)=O)ccc54)C3)ccc21 257253994 KBDXZWANJGVXBF-FGZHOGPDSA-N 431.496 2.476 0 40 IEAB O=C(c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)N1CC2(CCC2)c2c(F)cccc21 517615052 MXZDYRVVFAQKPF-UHFFFAOYSA-N 425.445 2.319 0 40 IEAB OC1(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CCN(c2cccc(F)c2)CC1 585287558 OJIWURFCMWEFEV-DEOSSOPVSA-N 448.510 2.438 0 40 IEAB Cc1cc(C)n(-c2cc(N3C[C@H]4CN(S(=O)(=O)C5CCCCC5)C[C@@H]4C3)ncn2)n1 2086896560 QQYIVCXNZVAXBG-ROUUACIJSA-N 430.578 2.310 0 40 IEAB O=C(COC(=O)c1ccc(O)cc1O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 3417681 PMSMRAMDKYRUOH-UHFFFAOYSA-N 434.470 2.068 0 40 IEAB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 3480910 KYFJYVJPOVZZCJ-UHFFFAOYSA-N 443.415 2.382 0 40 IEAB CCOCCn1c(=O)c2c(nc3n2C[C@H](C)CN3c2ccc(OCC)cc2)n(C)c1=O 8653983 UJVHFVMQJAASOG-OAHLLOKOSA-N 427.505 2.120 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@H]1CC(=O)N(C2CCCCC2)C1 8816419 KIVSNSPWVBYELV-QFBILLFUSA-N 449.573 2.264 0 40 IEAB O=C(CSc1nc2ccccc2c(=O)n1CCCO)NC(=O)Nc1ccccc1F 8881483 ULMUYTQMFSSAJA-UHFFFAOYSA-N 430.461 2.358 0 40 IEAB CCN(C(=O)CN1CCCc2cc(C)ccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9509678 XVFYCECFOIXLNA-UHFFFAOYSA-N 447.539 2.281 0 40 IEAB CN(C(=O)CN(C)[C@H]1CCCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9642205 MYMWZLLYNQWMNY-FQEVSTJZSA-N 447.539 2.139 0 40 IEAB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)c4c(C)noc4C)CC3)cc21 9723115 WUYDMOOZCHPPNZ-UHFFFAOYSA-N 442.447 2.426 0 40 IEAB CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(OC)cc3)n2)cc1 9844748 UKXLGPWCGGHVHL-UHFFFAOYSA-N 429.498 2.296 0 40 IEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc2c(cc1Br)OCCO2 11235785 XFBGWSFTDKOFET-UHFFFAOYSA-N 438.278 2.414 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccccc2)c2c(C(N)=O)nc(-c3ccc(OC)cc3)nc21 12276800 MXVSYNJDDCFJAX-UHFFFAOYSA-N 431.452 2.270 0 40 IEAB O=C(CNc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCc2ccccc21 12312076 QRFNKGWEQVJOMO-UHFFFAOYSA-N 435.933 2.362 0 40 IEAB COCCN1CCN(c2nc(N3CCCC3)nc3c2CN(Cc2ccccc2)CC3)CC1 12327175 RRAWLKRRHSKAFU-UHFFFAOYSA-N 436.604 2.404 0 40 IEAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F 12727822 XZTASNYWYLAJRS-XHDPSFHLSA-N 432.420 2.406 0 40 IEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1 12868693 YIZYQNGMTJVOKZ-UHFFFAOYSA-N 433.921 2.208 0 40 IEAB CC[C@H](C)N(C(=O)CN1CCN(c2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 13055835 KDLGYDQCWYUCKY-IRXDYDNUSA-N 427.998 2.276 0 40 IEAB O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)Nc1ccccc1 13120418 AXXFRBZWFYGEBP-UHFFFAOYSA-N 444.557 2.358 0 40 IEAB O=C(Cn1nc2c(cc1=O)CCc1nc(N3CCCCC3)ncc1-2)NCc1ccc(F)cc1 13266061 GNWZFORXTRROCX-UHFFFAOYSA-N 448.502 2.245 0 40 IEAB CN1C(=O)N(Cc2ccccc2)C(=O)[C@@H]2[C@H]1N=C(NC[C@H]1CCCO1)N2Cc1ccccc1 13940401 YTNJQVXMIQNRKJ-FSSWDIPSSA-N 447.539 2.416 0 40 IEAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCCN1CCOCC1 15673279 RPKGHFSLSTXNNC-OALUTQOASA-N 430.524 2.087 0 40 IEAB biogenic,in-vitro COc1ccc(OC)c(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c1 15780547 DCHVBQBBJNRROH-UHFFFAOYSA-N 426.516 2.353 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c1 16944960 IKIISVWIETYFLZ-UHFFFAOYSA-N 426.516 2.217 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccccc1OC 18156301 NMQFHBLMVOAWQI-NHCUHLMSSA-N 436.512 2.224 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)CCc3nc4ccccc4[nH]3)C2)ncc1C(=O)N1CCOCC1 19757655 PTHSVRICIAWNMD-QGZVFWFLSA-N 448.527 2.082 0 40 IEAB c1csc([C@@H]2N=C3NCN(CCCN4CCOCC4)CN3c3nc4ccccc4n32)c1 20649195 GOJASSPUJZFDBA-HXUWFJFHSA-N 437.573 2.363 0 40 IEAB CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2cccn2C)N2CCOCC2)c(C)c1 21154453 HQAFRLYBKCEYHV-IBGZPJMESA-N 434.562 2.034 0 40 IEAB O=C([C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCC[C@@H](C(F)(F)F)C1 22382513 SEBJQOACUYWDGT-HIFRSBDPSA-N 448.463 2.412 0 40 IEAB CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)C1 22515184 ZYDHLCUXBDUEGS-MRXNPFEDSA-N 436.578 2.206 0 40 IEAB Cc1nccn1-c1ccccc1CNC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C 22523087 FLECPAALINVZOI-UHFFFAOYSA-N 427.530 2.110 0 40 IEAB C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)N(C)Cc1ccc(F)cc1F 22965084 SYGYEUQQDOFEKL-INIZCTEOSA-N 437.512 2.318 0 40 IEAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(NC(=O)CN4CCOCC4)cc3)cnc12 23013641 PKGQEROKXRWDCC-UHFFFAOYSA-N 449.511 2.004 0 40 IEAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 23151323 GAGNHLQHOVVEOY-SFHVURJKSA-N 432.502 2.169 0 40 IEAB NC(=O)[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)C1 24143538 SQFGSHKEUMCBHV-NVXWUHKLSA-N 447.536 2.079 0 40 IEAB Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](c1ccccc1)c1cc3ccccc3o1)c(=O)n2C 24709027 GNDPVORATNNDNV-FQEVSTJZSA-N 443.463 2.086 0 40 IEAB O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)O[C@@H]1CCOC1=O 25392906 FKOWLDIHPBEXFZ-RTBURBONSA-N 433.457 2.363 0 40 IEAB Cc1sc2nc(CN3CCOCC3)n(CC(=O)N3CCc4ccccc43)c(=O)c2c1C 25664348 GLXRNVIQSGWTIJ-UHFFFAOYSA-N 438.553 2.496 0 40 IEAB Cn1c(=O)c2nc(Br)n(Cc3ccc(OC(F)(F)F)cc3)c2n(C)c1=O 26401118 APSNFQSNOMXWSE-UHFFFAOYSA-N 433.184 2.143 0 40 IEAB CSc1nnc(C)n1NC(=S)NC(=O)c1cccc(I)c1 33662711 MZLOJLAVDIYESO-UHFFFAOYSA-N 433.300 2.171 0 40 IEAB O=C(NCc1ccco1)C(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 56945583 XTSNWITUJLDJRU-FQEVSTJZSA-N 440.475 2.308 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1cccc(OC)c1 67287093 AQDJXLMENCYMTF-JXFKEZNVSA-N 445.516 2.141 0 40 IEAB COc1ccccc1CC(=O)N[C@@H](C)C(=O)N1Cc2ccccc2OC[C@H]1CN(C)C 72394888 NAIRYANIWDTHPT-FXAWDEMLSA-N 425.529 2.094 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)O 100772291 SZPHHKGIDOFWOT-VIQHNZTISA-N 441.569 2.438 0 40 IEAB COc1cc(Br)c(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1OC 105740969 CKQOAUHZSOBDOD-APTFWKJFSA-N 426.332 2.441 0 40 IEAB O=C(NCc1nc(-c2ccccc2)no1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225514764 VXIWLAXYNAIKSR-QGZVFWFLSA-N 426.498 2.454 0 40 IEAB C[C@@]1(O)CCN(C(=O)CCCc2nc3cc(Cl)ccc3[nH]2)C[C@H]1n1ccc(O)nc1=O 257225870 FIFBCKLGDCDGRV-IIBYNOLFSA-N 445.907 2.026 0 40 IEAB CC(C)(C(=O)N1CCC[C@@H](CC(=O)NCc2ccc3c(c2)CCCO3)C1)n1cncn1 257338525 YXUXHSFNCIAFRV-SFHVURJKSA-N 425.533 2.283 0 40 IEAB CN1CCN(C(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)CC1 408534657 UACKJLPRZDGJJN-UHFFFAOYSA-N 449.960 2.244 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 408548440 RQIPPMMERSNVIJ-KRWDZBQOSA-N 447.557 2.473 0 40 IEAB COc1ccc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c(OC)c1 408704385 MTEQYSPDYDSLRV-ZDUSSCGKSA-N 436.486 2.268 0 40 IEAB C[C@@]1(CO)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CCN21 514289278 KUTFPZWQCOGARD-URXFXBBRSA-N 441.959 2.302 0 40 IEAB biogenic,in-vitro O=C(NCc1nc(N2CCCC2)nc(N2CCOCC2)n1)c1ccc(-n2cccc2)cc1 575608797 YJXZIVYUEWLXIY-UHFFFAOYSA-N 433.516 2.029 0 40 IEAB N[C@@H](CCC(=O)N1CCC2(CCCCCc3ccccc3OCCNC2=O)CC1)C(=O)O 643556458 LCQCUPCUWVZOEH-IBGZPJMESA-N 445.560 2.099 0 40 IEAB C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccn(C)n2)C[C@H]1C(F)(F)F 1712841616 GMHROGMOLUFWGB-UKRRQHHQSA-N 425.459 2.011 0 40 IEAB CCOC(=O)c1c(NC(=O)CNc2ccccc2C(=O)OC)sc(C(=O)NC)c1C 8705926 OMSXZZSFGAIRFH-UHFFFAOYSA-N 433.486 2.430 0 40 IEAB C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O 8727129 MIXRHIJPYQXGEJ-QHCPKHFHSA-N 430.468 2.191 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)c1ccccc1)c(=O)n2Cc1ccccc1 9120701 GVMSTZYWXKADMX-KRWDZBQOSA-N 431.496 2.305 0 40 IEAB O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC(=O)Nc1ccc2c(c1)OCO2 9591223 WDOOPNRXMLWALZ-UHFFFAOYSA-N 437.456 2.044 0 40 IEAB COc1cccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccccc3O)n2C)c1 9615131 ZBTXPALSZIJXML-UHFFFAOYSA-N 427.486 2.441 0 40 IEAB COc1ccc(CC(=O)NCc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 9632092 FIAQWHOSAOPLDN-UHFFFAOYSA-N 438.933 2.228 0 40 IEAB O=C(Nc1nnc(-c2ccc3c(c2)OCO3)o1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 9701639 JKTHDQZLEDCJLU-LBPRGKRZSA-N 448.482 2.319 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2CNC(=O)C(=O)Nc2cc(C)ccc2C)cc1 9806853 MHKBPJNVAYNHDN-KRWDZBQOSA-N 445.541 2.220 0 40 IEAB CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCCc3ccc(Cl)cc3)cc21 10221035 FBNZHIUUICTDMG-UHFFFAOYSA-N 435.933 2.350 0 40 IEAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 10778657 SZPCECUEQRZCNR-UHFFFAOYSA-N 429.542 2.084 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl 12444759 JUEGXQSMZFKTGT-UHFFFAOYSA-N 443.356 2.270 0 40 IEAB Cc1ccc(C(=O)O[C@@H]2C[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O[C@@H]2CO)cc1 12447638 NXWFPHFVYAGVET-SFHLNBCPSA-N 449.463 2.309 0 40 IEAB CC(C)Cn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nnc1-c1ccco1 12578950 NUAGNPMKTPYLNV-UHFFFAOYSA-N 443.533 2.124 0 40 IEAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)N1CCN(C(=O)OCC)CC1 13810599 PIECWKFDOXELRN-CQSZACIVSA-N 446.504 2.454 0 40 IEAB CC(C)(C)NC(=O)CN1CC2(CCC(N3CCOCC3)CC2)Oc2ccccc2C1=O 19083065 CZACTXOBYXTZDS-UHFFFAOYSA-N 429.561 2.450 0 40 IEAB O=C(Cc1ccccc1F)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CN(C1CCOCC1)CC2 19348117 SZHGINGLXVLUIE-NRFANRHFSA-N 440.519 2.352 0 40 IEAB O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CN(Cc2cccnc2)CC3)C1 19370124 PRAVMMUCUIRGTL-FQEVSTJZSA-N 429.524 2.282 0 40 IEAB CC(C)C[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19446839 GSFAYDRYMNISSC-WOJBJXKFSA-N 442.564 2.486 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)Cc1cccc(OC)c1)C2 19710689 IDVIEZNCIZLWKS-UHFFFAOYSA-N 437.544 2.380 0 40 IEAB Cc1nc([C@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)nc2c1CCC(=O)N2CC1CC1 19741063 CCPZISZNNYHQGY-QGZVFWFLSA-N 444.561 2.124 0 40 IEAB COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(Cl)c2)N2CCN(C)CC2)cc1 22795397 AVRJHUXTGPEQCJ-FQEVSTJZSA-N 430.936 2.392 0 40 IEAB CN(CC(=O)N1CCN(Cc2ccccc2F)CC1)Cc1ccccc1N1CCOCC1 23763294 QHNDAMHCLROBJA-UHFFFAOYSA-N 440.563 2.439 0 40 IEAB COC(=O)[C@@H](CN1CCN(c2ccccc2C)CC1)[C@@](O)(c1nccn1C)C(F)(F)F 24927174 MLSOSWMSBLFINV-OXQOHEQNSA-N 440.466 2.090 0 40 IEAB CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1cccnc1N1CCOCC1 31327059 WAETWFJJAYVLET-IBGZPJMESA-N 432.471 2.267 0 40 IEAB CN1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc(-c4ccccn4)cs3)c2)CC1 34886203 IVSNINQRSRARRE-UHFFFAOYSA-N 443.554 2.394 0 40 IEAB CC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1 36366178 GATXUZFKWBXSLB-SFHVURJKSA-N 430.486 2.206 0 40 IEAB COCc1nn2c(nnc3c(=O)n(NC(=O)c4cccnc4)ccc32)c1-c1ccccc1 40391316 GNVLPHPCCDYRJX-UHFFFAOYSA-N 427.424 2.032 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2ccc(-n3cnnc3)cc2)NC(=O)N[C@H]1c1ccccc1 58194712 BUHFZXNVSSHCDI-FQEVSTJZSA-N 447.451 2.295 0 40 IEAB CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCOc3ccccc32)c1 58381879 AGZJYVJYXPQYCU-UHFFFAOYSA-N 432.317 2.440 0 40 IEAB CS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3COCC(=O)N3Cc3ccccc3)sc2c1 70641468 SQNYCERODFBGSY-MRXNPFEDSA-N 445.522 2.066 0 40 IEAB CCn1ncc(C(=O)N2CCC(c3nc(N4CCCC4)ncc3S(C)(=O)=O)CC2)c1C 72335900 UJFYOOCELPQNLN-UHFFFAOYSA-N 446.577 2.025 0 40 IEAB Cn1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)cn1 72399100 HVKGZFVGDPSREF-LJQANCHMSA-N 438.557 2.491 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1nccn1CC(C)C 78875103 UWNZXSIVNPAPRM-INIZCTEOSA-N 442.582 2.395 0 40 IEAB CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cccc3ccccc23)s1 78875874 MPIGOLWKUFIZNW-UHFFFAOYSA-N 445.566 2.474 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1noc(C2CC2)n1 95450686 KGFKSLAPDDQJAW-UHFFFAOYSA-N 434.518 2.450 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCCOc1ccccc1Cl)c1ccccc1F 224341281 MIVBUMPFSCDSII-UHFFFAOYSA-N 429.901 2.287 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2C)CC1 225930725 OTVYVVKRRLSMHI-UHFFFAOYSA-N 431.558 2.281 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)N[C@H](C)c1ccc3c(c1)OCCO3)O2 260826492 BSUUEIDYJPTXRD-JLTOFOAXSA-N 432.498 2.171 0 40 IEAB Cc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)cc1 260932819 NBUKCOAIQBWZQZ-HZPDHXFCSA-N 438.571 2.430 0 40 IEAB COc1ccc(CN2C[C@]3(CCN(C(=O)N(C)C)C3)Oc3ccccc3S2(=O)=O)cc1 306130109 IWIYXCQGZBHGNH-JOCHJYFZSA-N 445.541 2.405 0 40 IEAB CCn1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)nc2cc(Cl)ccc21 536587345 XZMWTIVNJHWYHU-NSHDSACASA-N 449.920 2.114 0 40 IEAB Cc1cc(Br)cn2cc(CNC(=O)N3CCN(Cc4ncc[nH]4)CC3)nc12 546824886 IUTDYXCRIIGWFM-UHFFFAOYSA-N 432.326 2.156 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)N3CCCN(c4ccc5nnc(C)n5n4)CC3)CC2=O)cc1C 1775967132 GVCLHJMLINPXHA-IBGZPJMESA-N 447.543 2.141 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1cccs1 633285 RZMWHLWFHDQORL-MUMAZLPKSA-N 426.519 2.478 0 40 IEAB Cc1ccccc1OCc1ccc(C(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)o1 2805282 NUIJMTZBQBMKIJ-UHFFFAOYSA-N 444.513 2.047 0 40 IEAB O=C(CN(CCc1ccccc1)C(=O)CN1C(=O)COc2ccccc21)NCc1ccco1 6551220 AVWFJZVLYQVUDX-UHFFFAOYSA-N 447.491 2.393 0 40 IEAB CC(=O)N1C[C@H](N[C@H](Cc2c[nH]cn2)C(=O)O)C(c2ccc(Oc3ccccc3)cc2)=N1 8781432 XFTRHCIMFJAQGE-RTWAWAEBSA-N 433.468 2.422 0 40 IEAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)Nc1ccccc1C(F)(F)F 8848679 BEMYEYUVUYXNNB-UHFFFAOYSA-N 431.374 2.214 0 40 IEAB COc1cccc([C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)C2=O)c1 8850486 IRQHJRJDENRENW-LFVRLGFBSA-N 436.468 2.226 0 40 IEAB COc1ccc(-n2nc3c(c2NC(=O)COc2ccc(F)cc2)CS(=O)(=O)C3)cc1 8910353 SQIUDTLUJJRXEE-UHFFFAOYSA-N 431.445 2.466 0 40 IEAB CN(C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)[C@@H]1CCS(=O)(=O)C1 9128142 IPZHYYDUDRHGAZ-CYBMUJFWSA-N 449.579 2.389 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(N)s3)[C@@H]2C(C)C)cc1 9227643 BZWUFOOAIJBDIS-HNNXBMFYSA-N 441.604 2.036 0 40 IEAB COc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[nH]2)cc1 9518027 YITAHTAWZWRRSI-UHFFFAOYSA-N 425.470 2.344 0 40 IEAB CS(=O)(=O)N1CCCc2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccccc34)cc21 10221039 ZEUUZLHJFJIBHR-UHFFFAOYSA-N 440.525 2.178 0 40 IEAB COc1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)[C@@H]2C(=O)c2cccnc2)cc1OC 11859166 XFIDXAICANIFSG-HDMKZQKVSA-N 425.363 2.203 0 40 IEAB Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 12913989 NBDZSJFOUVWPFV-UHFFFAOYSA-N 431.345 2.490 0 40 IEAB O=C([C@@H]1COc2ccccc2O1)N1CCN([C@H](C(=O)N2CCCC2)c2ccccc2)CC1 12934556 HCJRKCYJIZILTR-GOTSBHOMSA-N 435.524 2.334 0 40 IEAB CCn1nc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2c1=O 13148375 SSPJUQZBDQKJEZ-UHFFFAOYSA-N 426.498 2.453 0 40 IEAB COCCn1nnnc1[C@@H](C(C)C)N(CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O 13498944 HVQSEXNBWPFHJP-OAQYLSRUSA-N 442.564 2.360 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)NCc1ccncc1 13557006 QTMMURJTPFNNKQ-NWBKIWMHSA-N 438.553 2.499 0 40 IEAB CCN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cc(F)ccc1OC 13581249 YAUSGXOHLWHDLB-UHFFFAOYSA-N 449.548 2.189 0 40 IEAB COc1ccc(CCNC(=O)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 13592990 FVIIKINMZDFUPJ-UHFFFAOYSA-N 431.514 2.040 0 40 IEAB CC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 13749179 QKXPBVUEYZAMAX-XLIONFOSSA-N 435.590 2.301 0 40 IEAB O=C([C@@H](NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1)N1CCCC1 15501282 YDEUUFCHOOKTIK-QFIPXVFZSA-N 443.569 2.161 0 40 IEAB C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 16042135 LYIWTKMTCHARMA-KXDDBMSCSA-N 426.270 2.394 0 40 IEAB biogenic CN(CC(=O)NC1CC1)C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 19297147 LPPJLEDUWGCSGV-UHFFFAOYSA-N 436.541 2.218 0 40 IEAB O=C(c1ccccc1F)N1CCc2c(nc([C@@H]3CCN(Cc4cccnc4)C3)[nH]c2=O)C1 19347695 KXGSNQFBLMTAOF-QGZVFWFLSA-N 433.487 2.492 0 40 IEAB Cn1ccnc1[C@H](NC(=O)c1ccc(=O)n(CC(=O)N2CCc3ccccc32)c1)C1CC1 19749269 UQLIUTLWEUVGIC-JOCHJYFZSA-N 431.496 2.052 0 40 IEAB Cc1cc(C)c(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 20033421 PBJSLPPJQRYLCJ-UHFFFAOYSA-N 438.571 2.111 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1OC 20456224 ABTUDIZXCPZCJH-SFHVURJKSA-N 440.905 2.201 0 40 IEAB COc1ccc(OCCN2CCN(CC(=O)N3C(C)(C)CC(=O)CC3(C)C)CC2)cc1 22810722 PBNUSQSYPJDKLN-UHFFFAOYSA-N 431.577 2.440 0 40 IEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134576 DLNVDMSJVUFQBL-UHFFFAOYSA-N 447.474 2.118 0 40 IEAB O=C(Nc1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1)c1cccs1 25197439 YOPXDXMRQLGOBF-UHFFFAOYSA-N 426.542 2.381 0 40 IEAB C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(S(=O)(=O)N(C)C)CC1 27432541 UZEFCBCXFIXJRG-GFCCVEGCSA-N 433.456 2.240 0 40 IEAB CCNc1nc(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)nc2ccccc12 36410213 NVYLYJAJKZEWFU-UHFFFAOYSA-N 444.605 2.213 0 40 IEAB NC(=O)C1CCN(c2nc(N3CCOCC3)c3cnn(-c4ccc(Cl)cc4)c3n2)CC1 38486267 SQRQAYDAIJVEEF-UHFFFAOYSA-N 441.923 2.007 0 40 IEAB CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)n1cncn1 40151240 UFSNSCRIYHHMCS-HNNXBMFYSA-N 446.360 2.315 0 40 IEAB COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 55408404 KXHGIKJETABOBE-ROUUACIJSA-N 429.947 2.078 0 40 IEAB O=S(=O)(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCCO2 56997635 RBZHRPQFDLANCS-UHFFFAOYSA-N 437.949 2.212 0 40 IEAB CNC(=O)c1cccc(-c2noc(C3CN(CC(=O)N4CCCc5ccccc54)C3)n2)c1 77099589 NUXBFSCZUNTBBJ-UHFFFAOYSA-N 431.496 2.475 0 40 IEAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC(O)(CN2CCOCC2)CC1 95462062 TTXWTNZONYYORK-UHFFFAOYSA-N 442.887 2.207 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 95958147 FPFCGCVIZCBDLP-XUWVNRHRSA-N 444.484 2.262 0 40 IEAB Nc1c(N(C[C@@H]2CCCO2)C(=O)/C=C\c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1 96579118 MLLOZZALSHZHRI-ODLZTCLXSA-N 446.507 2.393 0 40 IEAB CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1 100430800 XHVCDDNFVURJPI-PGPGWZCJSA-N 429.561 2.053 0 40 IEAB CCOC(=O)C1(C(=O)OCC)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)CC 218202472 CPVAVWVYPROGSY-KGLIPLIRSA-N 433.320 2.462 0 40 IEAB COC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)CC1 218786609 XIXBQSYWMKCESK-UHFFFAOYSA-N 436.574 2.073 0 40 IEAB O=C(Nc1nnc(S(=O)(=O)NCCCN2CCCC2)s1)c1ccccc1Cl 223166297 QRXISNWXMRAKFM-UHFFFAOYSA-N 429.955 2.208 0 40 IEAB COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224799227 XFGPVSZTLGTFDR-UHFFFAOYSA-N 425.459 2.089 0 40 IEAB COc1ccccc1OCCNS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 225142874 XMOWSBZMARLDHE-UHFFFAOYSA-N 434.499 2.156 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C 408587077 BFYMZXBGFKTHHD-INIZCTEOSA-N 435.521 2.158 0 40 IEAB COC(=O)c1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CCN(C)C2 408614958 KEHWHGHUKLDAOQ-UHFFFAOYSA-N 426.516 2.341 0 40 IEAB Cn1nccc1C(=O)N1CCO[C@](COc2ccccc2)(CC(=O)N2CCCCC2)C1 585287167 VGXXCCSTPZXBQO-HSZRJFAPSA-N 426.517 2.113 0 40 IEAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)NC(N2CCN(c3ccc(F)cc3)CC2)=N1 8758274 NKVGQVGPUJPDOF-GOSISDBHSA-N 429.883 2.484 0 40 IEAB O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 9378827 LILYNFXDBXDOOT-UHFFFAOYSA-N 443.529 2.472 0 40 IEAB O=C([C@H]1CN(C(=O)CN2C(=O)COc3ccccc32)c2ccccc2O1)N1CCCCC1 9514632 RGKKRBACXFVCOY-OAQYLSRUSA-N 435.480 2.219 0 40 IEAB COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](CCSC)c1nc2ccccc2[nH]1 9635226 NLSLYVSIWCQSOK-MRXNPFEDSA-N 434.543 2.443 0 40 IEAB C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCOc1ccc(F)cc1 9729258 YRGSAOVJKCMNFD-SJKOYZFVSA-N 431.869 2.129 0 40 IEAB CCCc1nc(SCC(=O)Nc2cc(C)ccc2C)c2c(=O)n(C)c(=O)n(C)c2n1 11758080 SQBWACSLIAWUDT-UHFFFAOYSA-N 427.530 2.327 0 40 IEAB Cc1nc2ccccc2n1CCNC(=O)CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 12556815 MQBITCONESIZIA-DEOSSOPVSA-N 433.512 2.404 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(-n2cnnn2)cc1 12752717 FUCXPGXIHJYLIA-UHFFFAOYSA-N 426.502 2.479 0 40 IEAB Cc1cccc(C(=O)NCCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 12803875 BDVDECMGDGFHHP-UHFFFAOYSA-N 426.492 2.037 0 40 IEAB Cc1cc(N2CCN(C(=O)CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)CC2)nc(C(C)C)n1 13114779 SJRROOIGIRJPSM-HJPURHCSSA-N 442.564 2.058 0 40 IEAB COc1ccccc1-c1nnc2ccc(OCCNS(=O)(=O)c3cccs3)nn12 13539696 QKWBXGFFTMISEC-UHFFFAOYSA-N 431.499 2.219 0 40 IEAB CCOC(=O)COc1c(Br)cc(/C=C2\NC(=O)NC2=O)cc1Br 15012874 DJGQGHSXCXOVOZ-YHYXMXQVSA-N 448.067 2.334 0 40 IEAB COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1S(=O)(=O)N1CCCC1 16227627 WUYLIEBOFNFNGT-UHFFFAOYSA-N 443.569 2.438 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1cccc2nsnc12 19078070 ZXTRXUBIJBZVHV-GOSISDBHSA-N 437.481 2.402 0 40 IEAB CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br 19680239 UWBTXLGDYAMZEC-SECBINFHSA-N 447.170 2.019 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)nc2c1CCC(=O)N2C 19741326 NIBXGJYRAWSPAZ-SFHVURJKSA-N 447.539 2.446 0 40 IEAB COc1ccc(-c2cc(C(=O)N3CCC(c4ncc(C(N)=O)c(C)n4)CC3)nn2C)cc1 19766445 SXMVRZOIFBNQAZ-UHFFFAOYSA-N 434.500 2.313 0 40 IEAB COc1ccc(CCNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)N(C)C)cc1OC 20244687 MWVSHGYTQKJTIE-UHFFFAOYSA-N 449.573 2.292 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)CC1 22246231 COOXIYXBBJVIRY-OAQYLSRUSA-N 444.553 2.378 0 40 IEAB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 22372732 AUFUBDRJXLGGRP-MRXNPFEDSA-N 434.514 2.116 0 40 IEAB CN(C)S(=O)(=O)c1ccccc1CNC(=O)N1CCN(Cc2ccccc2F)CC1 22434760 WBPMSBCKSBUUHQ-UHFFFAOYSA-N 434.537 2.103 0 40 IEAB COc1ccc(-c2noc(CN3CCN(CC(=O)N4C[C@@H](C)C[C@H](C)C4)CC3)n2)cc1 22935593 GXFYUOGJBQBMQU-ROUUACIJSA-N 427.549 2.367 0 40 IEAB O=C(NCCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 25330007 TXNFECKXUXVMRY-UHFFFAOYSA-N 443.997 2.357 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)CC2)cc1 28349664 QZJLAZRTFVNMFE-UGKGYDQZSA-N 449.617 2.477 0 40 IEAB biogenic CC(C)Cc1csc2c1c1nc(-c3ccco3)nn1c(=O)n2CC(=O)N1CCOCC1 32091724 OHJPZERKSOSARB-UHFFFAOYSA-N 441.513 2.423 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 32907626 UVTXOQPQFOKACG-UHFFFAOYSA-N 448.511 2.247 0 40 IEAB Cc1cc2nc(C)c(CCC(=O)NCCS(=O)(=O)N3CCc4ccccc43)c(C)n2n1 40089572 UORWRACKFZIAGT-UHFFFAOYSA-N 441.557 2.096 0 40 IEAB C[C@@H]1CCCN(Cc2ccccc2CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 40112313 IEJYEOIJVZZUKF-QGZVFWFLSA-N 428.558 2.032 0 40 IEAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)N[C@H]1CCCCNC1=O 40122878 XHAOOYJGIZIKNP-LBPRGKRZSA-N 425.308 2.376 0 40 IEAB CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CSc1ccc(F)cc1 40155363 YMJFRZXHODRLFW-UHFFFAOYSA-N 425.526 2.456 0 40 IEAB O=c1n(Cc2cccc(C(F)(F)F)c2)nc2ccc(S(=O)(=O)N3CCCC3)cn12 49407855 VKGUUXUWXGUECU-UHFFFAOYSA-N 426.420 2.348 0 40 IEAB C[C@H](C(=O)NCCC1=CCCCC1)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326314 SJNQLOZVUYLZDF-MWTRTKDXSA-N 425.533 2.341 0 40 IEAB Cc1ccccc1CCNC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326344 HPANBDQIBCPLPP-OSPHWJPCSA-N 435.528 2.002 0 40 IEAB Cc1c([C@H]2C[C@@H](C(=O)Nc3c(Cl)cccc3Cl)N(C)S(=O)(=O)N2)cnn1C 72335068 IHSHKDBZMIFZKA-KGLIPLIRSA-N 432.333 2.254 0 40 IEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCCN1CCCC1=O)[C@@]1(C2)NC(=O)c2ccccc2O1 72339052 NQGZVQNOPRBKND-PXAYELCQSA-N 425.529 2.460 0 40 IEAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)CN1C(=O)CNC1=O 72370623 KUEGEGQAFUCXBW-AWEZNQCLSA-N 442.541 2.126 0 40 IEAB COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)cc(=O)[nH]2)CC1 72399241 XKRGXXZOLRPFEJ-MJGOQNOKSA-N 442.560 2.185 0 40 IEAB Cc1cc(C)n(-c2nc(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cs2)n1 90609328 QEGKEEZYDFTZST-UHFFFAOYSA-N 433.559 2.168 0 40 IEAB O=C1c2ccccc2N2C(=O)CC[C@@]2(C(=O)NC[C@H](O)C(F)(F)F)N1Cc1ccccc1 95939823 UHPCKGZASBWLLC-LAUBAEHRSA-N 447.413 2.205 0 40 IEAB COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)nc2ccc(Cl)cn2c1=O 96114620 MENXRMIZTANFCW-LBPRGKRZSA-N 434.832 2.471 0 40 IEAB biogenic CC(C)CN1CC2(CCN(C(=O)c3cncn3C)CC2)COc2ccccc2S1(=O)=O 96145164 HJFVJGJWYZFSBM-UHFFFAOYSA-N 446.573 2.382 0 40 IEAB C[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 113940653 PDVYGPSMPRTRRS-INIZCTEOSA-N 434.537 2.371 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC3CCN(C)CC3)Oc3ccc(C)cc32)cc1 219402931 LDPPUHRKMYQABP-QFIPXVFZSA-N 443.569 2.470 0 40 IEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)s1 225880262 OUWWDCOILPRIQY-UHFFFAOYSA-N 449.514 2.456 0 40 IEAB CC(=O)N[C@@H]1CO[C@@H]2CCCN(Cc3ccc(OCc4nccn4C)cc3)[C@@H]2C[C@@]1(C)O 257244251 IKNDHQZXCQCBSB-GBEXAXCTSA-N 442.560 2.008 0 40 IEAB CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CCN(S(=O)(=O)c1ccc(C)c(C)c1)C2 257290275 QCGDGWSCYMVFCH-QGZVFWFLSA-N 443.573 2.218 0 40 IEAB CCc1c(C(=O)N2CC[C@H](O)[C@@H](N3CCN(C(C)=O)CC3)CC2)[nH]c2ccc(C)cc12 257307506 SYXVHRSIZTXXEQ-VXKWHMMOSA-N 426.561 2.168 0 40 IEAB CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 408604194 LJLSDNUWEFXDHJ-GOSISDBHSA-N 431.558 2.489 0 40 IEAB CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)CC2)CC1 408700735 LCNILFUMTMASAP-UHFFFAOYSA-N 437.606 2.383 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1C[C@H]2CCN(Cc3cccnc3)CC[C@H]2C1 2056223299 FBQYCZLKHIKQMB-KDURUIRLSA-N 429.542 2.386 0 40 IEAB O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)N1CCOCC1 2633393 TYCATLFNIWIKEG-UHFFFAOYSA-N 439.541 2.211 0 40 IEAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(C(=O)N4CCN(C)CC4)c3)n2)cc1 4388476 ZRNDZCKDRSBFSE-UHFFFAOYSA-N 445.523 2.245 0 40 IEAB COc1cc(CC2(CCc3ccncc3)C(=O)N(C)C(=O)N(C)C2=O)cc(OC)c1OC 6136036 RLENTPHFSHSNNR-UHFFFAOYSA-N 441.484 2.320 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C1=O 7023843 BXHQHIHLEYCRGC-NXHTTZLHSA-N 427.501 2.264 0 40 IEAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 8755344 OQGUOIBHYCUISD-GFCCVEGCSA-N 440.547 2.364 0 40 IEAB C[C@@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)[C@@H]1C 9125258 KRSGTYDLNNZOCC-BFYDXBDKSA-N 428.489 2.363 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)Cc2cnn(-c3ccccc3)c2)C1=O 9155255 CVVRARKWYGOUMG-DEOSSOPVSA-N 446.511 2.193 0 40 IEAB Cc1ccc(-n2c(C)nnc2SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 9207412 JANMJKALYGAZSV-UHFFFAOYSA-N 428.518 2.262 0 40 IEAB COc1ccccc1[C@H]1N=C(N2CCN(c3ccccn3)CC2)Nc2nc(C)cc(=O)n21 9289619 CLFNGOOQKYVRBR-NRFANRHFSA-N 431.500 2.106 0 40 IEAB CCN(C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC)[C@H]1CCS(=O)(=O)C1 11133049 SDPMDGNAWQCEIN-ZDUSSCGKSA-N 443.616 2.222 0 40 IEAB C[C@@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)NCc1ccc2c(c1)OCO2 12425212 OUBXGAXPRLSTQY-KZULUSFZSA-N 428.466 2.466 0 40 IEAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3SC[C@@]3(C)NC(=O)NC3=O)cc2NC1=O 12783819 QIEDCMZRCZIUPE-WSVYEEACSA-N 440.481 2.349 0 40 IEAB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1Br 13145445 KRYBGDDXRRNEJP-ZIAGYGMSSA-N 437.290 2.414 0 40 IEAB CCOc1ccc(NC(=O)C[C@@H]2N=C(N3CCN(c4ccccc4F)CC3)NC2=O)cc1 13725353 HZZPHBBJHQTGOW-IBGZPJMESA-N 439.491 2.230 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cnn(C)c1C 13959722 BJZAIVHONWYVSZ-QJKHOBJASA-N 442.928 2.104 0 40 IEAB Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(c3cc(C)ccc3C)CC2)cc1 19211241 GIBKJANDUMFFBV-UHFFFAOYSA-N 440.573 2.352 0 40 IEAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCN2C(=O)CN2CCCC2=O)nc1C 19755421 ROQDJMAUQNNUOS-GOSISDBHSA-N 437.500 2.332 0 40 IEAB CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=S)NCCOC)cc2c1 19823020 IXZOZEDBSFRHLR-UHFFFAOYSA-N 446.617 2.136 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 21249285 JKTGFZSDDHFOTB-UHFFFAOYSA-N 433.442 2.019 0 40 IEAB Cc1cccc(C)c1N(CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O 22338814 RVXQCAIZQHTONQ-MRXNPFEDSA-N 438.571 2.350 0 40 IEAB O=C(Cn1nc2c(c1NC(=O)[C@H]1COc3ccccc3O1)CSC2)NCc1ccco1 23139421 UBRBOOQOSBXAAZ-GOSISDBHSA-N 440.481 2.318 0 40 IEAB COc1cc(N2C[C@H](C(=O)NCCOc3ccccc3F)CC2=O)cc(OC)c1OC 29979778 SNINHNLHSBKLGR-CQSZACIVSA-N 432.448 2.400 0 40 IEAB COc1cc2[nH]c3c(=O)n(CC(=O)NCc4ccc(F)cc4F)cnc3c2cc1OC 35423824 HSDSIFUFKQWTQL-UHFFFAOYSA-N 428.395 2.490 0 40 IEAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCN(Cc3ccccn3)CC2)c2ccc(F)cc21 36353681 SLYBPTRMKSFDHF-NRFANRHFSA-N 426.448 2.204 0 40 IEAB Cc1ccc(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1-n1nnnc1C 58264726 AGTHXVPTJLWWQI-UHFFFAOYSA-N 441.922 2.137 0 40 IEAB Cc1ccc(-n2nc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCCCC3)c3c2CCC3)cc1 60362652 DKPYAJFGSATEMS-PZJWPPBQSA-N 442.585 2.051 0 40 IEAB CC1CCN(C(=O)Cn2nc3n(Cc4cccs4)c(=O)c4sccc4n3c2=O)CC1 65305424 NFJDMHDLFWWWOE-UHFFFAOYSA-N 443.554 2.241 0 40 IEAB CS(=O)(=O)c1ccc(CC(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)cc1 72340742 UCRVWTRYHGXPNH-UHFFFAOYSA-N 435.509 2.096 0 40 IEAB COc1ccc(CCC(=O)N2CCC[C@H](c3cc(C(=O)N4CCOCC4)[nH]n3)C2)cc1 72380728 AIPTWEKATDOPOD-SFHVURJKSA-N 426.517 2.230 0 40 IEAB COc1cccc(-c2nc3c(s2)CN(S(=O)(=O)CCN2C(=O)CCCC2=O)CC3)c1 72392055 XBXDPNJPERONSG-UHFFFAOYSA-N 449.554 2.046 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)CCn4ncc5ccccc5c4=O)C3)cc2n1 100138015 UPMPUTDDUUYHAW-QGZVFWFLSA-N 432.484 2.250 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1 219399084 GTACRADBEAZCRT-QRWLVFNGSA-N 434.514 2.114 0 40 IEAB COc1cccc(-c2noc(CN(C)C(=O)[C@@H](c3ccccc3)N(C)S(C)(=O)=O)n2)c1 223433083 TUAYEUBAHZRMEV-LJQANCHMSA-N 444.513 2.336 0 40 IEAB C[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccccc1F)S(C)(=O)=O 224745330 XGSNAKOTSFPXOR-KRWDZBQOSA-N 449.548 2.129 0 40 IEAB COc1ccc(CCCNC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1OC 225417643 FGVWRFKPYFDENL-UHFFFAOYSA-N 438.521 2.354 0 40 IEAB Cc1nc2ccccc2n1CCC(=O)N(C)[C@H]1CCC[C@H](n2cnc3c(N)ncnc32)[C@H]1O 257223764 DYSHJVCGGIRBKF-WFXMLNOXSA-N 448.531 2.070 0 40 IEAB CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)c1cccc(OCCN)c1 257300875 RWAHRGFMFPRJOW-UHFFFAOYSA-N 435.528 2.071 0 40 IEAB COc1cc([C@H]2O[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H](CO)[C@H]2CO)cc(OC)c1O 257603519 WKDDUPJDCWIWAP-SRLQQUAWSA-N 436.457 2.162 0 40 IEAB biogenic,in-vitro O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCCCO 408550247 BWVUTTXFEUIUEW-UHFFFAOYSA-N 432.420 2.384 0 40 IEAB C[C@H](C(=O)NCCSCc1ccco1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408704115 JRIPUSJTZCAFHH-CQSZACIVSA-N 440.543 2.255 0 40 IEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)cc2O1 604404145 DECBKVDKDDDEKS-VYDXJSESSA-N 442.512 2.374 0 40 IEAB biogenic Cc1cc(C)n(-c2cc(N3C[C@@H]4CN(S(=O)(=O)c5cccc(F)c5)C[C@H]4C3)ncn2)n1 2086896654 ITKIJFSDRYXBKR-IAGOWNOFSA-N 442.520 2.175 0 40 IEAB COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C=C(C(=O)O)[C@@H]2CO)cc(OC)c1O 1868294 XCPQBTNKYMMDJL-SUMWQHHRSA-N 432.425 2.354 0 40 IEAB biogenic CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(Cl)cc1)CN=3)C(=O)N2 2253564 XQXLNNZIFJYSHB-ZCXUNETKSA-N 440.912 2.168 0 40 IEAB Cc1c(Cl)c(C(=O)NCCNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)nn1C 2733225 QYCBFQYWSYZBGR-UHFFFAOYSA-N 432.695 2.173 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)/C=C/c2ccc(O)c(OC)c2)c1 3319283 VNWJYTIVMQZQLM-WEVVVXLNSA-N 443.408 2.169 0 40 IEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC(=O)Nc2c(C)cccc2C)C1=O 8891845 DKBPFUPBOZHWIB-HSZRJFAPSA-N 440.475 2.355 0 40 IEAB CCOc1cc2c(cc1CNC(=O)CN1C(=O)N[C@]3(CCc4ccccc43)C1=O)O[C@H](C)C2 9778586 WQBAGWWFWQPHJB-BZQUYTCOSA-N 449.507 2.418 0 40 IEAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2C1 11613184 FHZIOZNZDCZSPC-UHFFFAOYSA-N 441.509 2.019 0 40 IEAB COc1cc(/C=C/CN2CCc3nnc(CNC(=O)Cc4ccccc4)n3CC2)ccc1O 11998131 HVJIMORIEYFPSL-VMPITWQZSA-N 447.539 2.423 0 40 IEAB C[C@@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 12640451 WIWUSZDRLNXMGK-FOIQADDNSA-N 439.468 2.183 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCN(c3ncccn3)CC2)cc1 12877463 VDVLFVFLDMNBPQ-KRWDZBQOSA-N 446.577 2.100 0 40 IEAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)NC[C@@H]1CCCO1 13566404 ZMHCXMVXTJTBDT-SFHVURJKSA-N 430.526 2.420 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 16687862 SLCROVUTUREXDH-UHFFFAOYSA-N 436.486 2.140 0 40 IEAB COc1ccccc1N1CCN(C[C@H](O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1 19571196 LPXUCWHQUGHNFX-QFIPXVFZSA-N 445.585 2.263 0 40 IEAB O=C(OCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(N2CCCS2(=O)=O)cc1 21739719 IFRDGZUIABFQDY-UHFFFAOYSA-N 433.873 2.245 0 40 IEAB CNC(=O)CSc1nnc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)s1 23141698 SDZBINUAUGETEU-UHFFFAOYSA-N 435.619 2.241 0 40 IEAB COc1cccc(N2C(=O)C[C@H](N3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)c1 25174479 IKWSLUQTVLFFPL-KRWDZBQOSA-N 438.513 2.379 0 40 IEAB O=C(CCc1nc(-c2ccccc2)no1)N1CCN(CC(=O)N2CCCCCC2)CC1 36384819 BXJZYHLQLBAPJH-UHFFFAOYSA-N 425.533 2.216 0 40 IEAB Cc1ccc(-c2cnc(CCC(=O)NCCS(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)o2)cc1C 40089315 QUGWTCMCZQNESO-ROUUACIJSA-N 449.573 2.446 0 40 IEAB COc1ccccc1-n1c(O)nc2nc(N3CCN(c4ccccc4F)CC3)ncc2c1=O 67264317 HKGJBFORTUKPDX-UHFFFAOYSA-N 448.458 2.356 0 40 IEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@H]1CCCN1S(=O)(=O)c1cccs1 71850194 VRNUXNRZUVJRKI-QGZVFWFLSA-N 433.555 2.344 0 40 IEAB C[C@H](NC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)c1cccs1 72326412 RGTCSEANIHUMHU-RXSFTSLZSA-N 427.530 2.273 0 40 IEAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N(CC(=O)N3CCOCC3)C(=O)N1CC2 72342032 UZIVLQASZJFIKT-HSZRJFAPSA-N 437.496 2.450 0 40 IEAB COc1ccc(C(=O)NCC(=O)NCc2cccc(C(=O)Nc3ccncc3)c2)cc1OC 78813493 SWTHCURMNUCZHB-UHFFFAOYSA-N 448.479 2.397 0 40 IEAB NS(=O)(=O)c1cccc(CNC(=O)[C@H]2CCN(C[C@@H]3CCCc4ccccc43)C2)c1 96012307 WFWCGTFDFRIJGM-PMACEKPBSA-N 427.570 2.392 0 40 IEAB O=C(CSC(F)(F)F)NC1CCN([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 100836954 JWUYUANMBHNWCK-HNNXBMFYSA-N 429.464 2.148 0 40 IEAB O=S(=O)(c1cccc2nsnc12)N1CC(n2cc(COc3ccccc3)nn2)C1 225629815 MSZZLQLJDLXWFG-UHFFFAOYSA-N 428.499 2.107 0 40 IEAB COc1ccc(CCN2CC(=O)N(c3cccc(Cl)c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 230086477 YVJDCEFVMSNCDZ-WOJBJXKFSA-N 434.945 2.406 0 40 IEAB CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3ccc[nH]3)CCO2)CC1 257239701 HQKJHIKDYQPGBV-HSZRJFAPSA-N 446.979 2.482 0 40 IEAB Cc1ncncc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CCOCC2)C1 257288728 PVIUSWGXPUIZGQ-UWJYYQICSA-N 442.491 2.083 0 40 IEAB CN(C)CCn1ccc(NC(=O)C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)n1 559845351 MOZPBSWJQUQXJP-MRXNPFEDSA-N 449.939 2.623 0 40 IEAB O=C1NC2(CCN(C(=O)c3ccc4c(c3)CCO4)CC2)[C@H]2CN(Cc3ccccc3)C[C@@H]12 585106276 LSTXDDAMUPCJJE-YADHBBJMSA-N 431.536 2.474 0 40 IEAB Cn1cc(CCC(=O)N2CC[C@H](Oc3cccc(Br)c3)[C@@H](CC(N)=O)C2)cn1 585269187 XXXGPNGTQVNFEJ-YJBOKZPZSA-N 449.349 2.287 0 40 IEAB Cc1nc(CN2CCCN([C@H](C)C(=O)Nc3ccccc3S(C)(=O)=O)CC2)oc1C 592198107 ZMQRTKDPSJJCLJ-MRXNPFEDSA-N 434.562 2.230 0 40 IEAB C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1nc2ccccc2s1 1146987511 VSAXUAOYLHLFFM-WBMJQRKESA-N 428.489 2.216 0 40 IEAB COc1ccc(OC)c(N(CC(=O)N[C@@H]2CCCC[C@H]2O)S(=O)(=O)c2ccccc2)c1 829270 VKBYMAUYWIQTJK-UYAOXDASSA-N 448.541 2.319 0 40 IEAB COc1ccc(Cn2nnnc2[C@@H](c2ccc(OC)cc2)N2CCC(C(N)=O)CC2)cc1 1348728 AYPCVWGFQBQJAV-OAQYLSRUSA-N 436.516 2.025 0 40 IEAB COc1ccc(OC)c(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 2660873 UDFHMJAXAWWVHF-BJMVGYQFSA-N 432.498 2.377 0 40 IEAB CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)c3ccc(F)cc3F)c2n1 8947604 LGSOXQBECQDWOQ-UHFFFAOYSA-N 434.472 2.093 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3)CC2)c1 9051094 MAXLVMLYTZAEJM-KRWDZBQOSA-N 448.541 2.313 0 40 IEAB COc1ccc(CCNC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(C5CCCC5)C(=O)[C@H]24)O3)cc1OC 9184108 NBQLYEOLRJHBAE-ZGDJDIHISA-N 426.513 2.087 0 40 IEAB O=C(NCc1ccc(N2CCCC2=O)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 9740141 GJXYITFXHFXKGJ-QGZVFWFLSA-N 435.480 2.254 0 40 IEAB COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 9807115 JQBPZZSBPFRGQR-SFHVURJKSA-N 445.541 2.220 0 40 IEAB COc1ccccc1C(=O)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 9851694 NLWHECGDJAEZPK-UHFFFAOYSA-N 429.484 2.241 0 40 IEAB O=C(NC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1)c1ccccc1 9853095 OSHDSDQDBBWFIV-GOSISDBHSA-N 449.507 2.232 0 40 IEAB O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)NCCS(=O)(=O)N1CCCC1 12144010 BXYYGFCHADVMPH-UHFFFAOYSA-N 430.505 2.384 0 40 IEAB CCOC(=O)c1c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)sc2c1CC[C@H](C)C2 12806214 GFAWVOHWOYYKKB-LBPRGKRZSA-N 449.554 2.486 0 40 IEAB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 13121326 LUHJAUWSJAKGID-QFIPXVFZSA-N 443.569 2.474 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1NC(=O)c1ccccc1 13566388 JYJVITJRCAIELY-UHFFFAOYSA-N 431.514 2.224 0 40 IEAB CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Nc2ccccc2NC1=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 13623540 RRRCZLRUTYKLJR-NIKGAXFTSA-N 443.592 2.376 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)c1 13669055 OHGXGXLOYVJSNC-UHFFFAOYSA-N 448.497 2.429 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)cc1 14245476 MMRURHRGCAOERN-FQEVSTJZSA-N 430.526 2.129 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)c2cc3c(s2)CC[C@@H](C)C3)c(=O)[nH]c1=O 14624437 HNYVMXVOLPSKBI-CYBMUJFWSA-N 434.562 2.398 0 40 IEAB C[C@@H](OC(=O)COc1ccc(F)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1 18437595 OKDRYSVDPUKEFG-SNVBAGLBSA-N 430.841 2.076 0 40 IEAB CNS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](c3nnc(-c4ccc(C)nc4)o3)C2)c1 19215171 ADJWLZNWEZRTCM-AWEZNQCLSA-N 445.476 2.117 0 40 IEAB CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cc(C(C)C)n[nH]3)[nH]c2=O)C1 19499120 IRQKIRZSGJCBMC-GOSISDBHSA-N 426.521 2.279 0 40 IEAB CCn1cc(S(=O)(=O)N2CCCC[C@@H]2c2nc(O)c3c(n2)CCN(C(C)C)C3)c(C)n1 19524653 QCCOMOZITXCXCM-GOSISDBHSA-N 448.593 2.389 0 40 IEAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)n3)C2)n1 19694219 FXASPKTXWZCFIC-MRXNPFEDSA-N 436.491 2.462 0 40 IEAB CCCN1C[C@@H](C(=O)N(C)Cc2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)CC1=O 19698073 JAXCQZCICKFSFJ-KRWDZBQOSA-N 429.565 2.327 0 40 IEAB Cc1nc([C@H]2CCCCN2S(=O)(=O)c2cnn(C)c2C)ncc1C(=O)N1CCCCC1 19765705 IZJMYGAPWDAINZ-GOSISDBHSA-N 446.577 2.369 0 40 IEAB CCN(CC(=O)NCc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930291 YPRHMFGUKMNEAZ-UHFFFAOYSA-N 440.905 2.404 0 40 IEAB CN(c1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1)S(C)(=O)=O 22230836 XLUHSXKMGXBVDV-RMKNXTFCSA-N 443.569 2.319 0 40 IEAB COc1cc(CNC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc(OC)c1OC 22338554 DDTVVFWCAWLPGF-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB CCOc1cccc(N(CC(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 22388243 GBUCOGNVPUSXMN-UHFFFAOYSA-N 431.558 2.196 0 40 IEAB C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(N4CCC[C@@H](C(N)=O)C4)c23)C1 24107278 ZFMICXHWTHOCBP-HUUCEWRRSA-N 429.590 2.350 0 40 IEAB O=C(CN1C(=O)C(=O)N(Cc2cccs2)C1=O)Nc1cc2c(cc1Cl)OCCO2 32858441 HUTDROUXYYXLIQ-UHFFFAOYSA-N 435.845 2.102 0 40 IEAB COC(=O)c1cc(OC)c(OC(F)F)cc1NC(=O)CCn1nnc2ccccc2c1=O 32902963 ZBFUHPODKVYUQB-UHFFFAOYSA-N 448.382 2.217 0 40 IEAB COc1ccc(OCc2cc(C(=O)OCC(=O)N3CCC(C(N)=O)CC3)c(C)o2)cc1 32957450 DLHIMFPYPWADLO-UHFFFAOYSA-N 430.457 2.056 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)N3CC(=O)N4CCc5ccccc5[C@H]4C3)ccc21 36108755 KTMCAYURPHOMKN-JOCHJYFZSA-N 439.537 2.116 0 40 IEAB COc1cc(C)c(S(=O)(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 40119097 IWXPYWGOEAQSIP-UHFFFAOYSA-N 427.567 2.143 0 40 IEAB CN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)c1ccccc1 40130805 QTZBNTXZOLJYMI-UHFFFAOYSA-N 425.304 2.465 0 40 IEAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccc(OC)cc2)c1 57315976 ZCDQJWTZWCDOTJ-UHFFFAOYSA-N 442.541 2.360 0 40 IEAB O=C(CNCc1ccc(F)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 57851786 AEFYEKZYTJOZLC-UHFFFAOYSA-N 441.912 2.228 0 40 IEAB CC(C)C(=O)Nc1nc(CC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cs1 58157351 XEDBCBKVBIWJTR-UHFFFAOYSA-N 443.573 2.135 0 40 IEAB CCS(=O)(=O)N(C)CCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 61722380 NNECEWRFFDLTEK-GJZGRUSLSA-N 430.546 2.232 0 40 IEAB O=C(CSc1nnc2c(=O)n(-c3ccccc3)ccn12)Nc1ccc2c(c1)OCCO2 64593480 LNDBCXIABNWQIZ-UHFFFAOYSA-N 435.465 2.382 0 40 IEAB COC(=O)CN(C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)C1CCOCC1 72303743 NMYFFNRYCFIIJQ-UHFFFAOYSA-N 432.498 2.282 0 40 IEAB COC(=O)c1nc(NC(=O)Cn2nnc3ccccc3c2=O)sc1Cc1ccccc1 72404203 FFGFVYMNLRWTJZ-UHFFFAOYSA-N 435.465 2.264 0 40 IEAB CC1(C)Cc2cccc(OCC(=O)Nc3nc4c(s3)CN(S(C)(=O)=O)CC4)c2O1 77155019 MAQCASVDKJRBDT-UHFFFAOYSA-N 437.543 2.192 0 40 IEAB O=C(NCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@]21NC(=O)c2ccccc2O1)c1ccccn1 100180863 FBXWZDRDYQSYPE-FJRUVBMXSA-N 448.523 2.273 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222934093 IRTHPNUICXOQSC-IBGZPJMESA-N 431.558 2.314 0 40 IEAB O=C(CN1C[C@@H](O)[C@H](Oc2cccc(C(=O)O)c2)C1)Nc1ccc(Br)cc1 257301223 RXMRBEQYNUVUGJ-IAGOWNOFSA-N 435.274 2.210 0 40 IEAB CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccccc2OCc2nonc2C)C1 257303890 SJDYJPFMYAIKBE-QHCPKHFHSA-N 435.484 2.272 0 40 IEAB O=C(NCc1ccccn1)c1ncn2c1CN(Cc1ccccc1)C(=O)c1nccnc1-2 306143547 YFGMJXTXHCTLAW-UHFFFAOYSA-N 425.452 2.143 0 40 IEAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCOCC1 408636218 ZGQHBWXUEQRFJW-UHFFFAOYSA-N 430.526 2.374 0 40 IEAB NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)NCCC(=O)Nc3ccccc3)c2)C1 502783456 YMMCPBLPGBMYSM-FQEVSTJZSA-N 437.544 2.212 0 40 IEAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC[C@H]1CCCN3CCCC[C@H]13)C=C2 504049801 IPOAWKNNMBGULF-UYAOXDASSA-N 427.545 2.440 0 40 IEAB biogenic CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCCN(C)c1ccccc1 9220387 YNABSAFCYZUKPW-SFHVURJKSA-N 446.598 2.099 0 40 IEAB COc1ccc(Cn2nnnc2S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)cc1 9416451 RQWBQIOKWFEJRK-ZDUSSCGKSA-N 427.486 2.256 0 40 IEAB COc1ccccc1N1CCN(C(=O)COCC(=O)NCCc2ccc(Cl)cc2)CC1 9668877 FLUPKCUWQHYWHM-UHFFFAOYSA-N 445.947 2.373 0 40 IEAB O=C(CSc1nc(=O)n(CCCO)c2c1CCCC2)Nc1ccc2c(c1)OCCO2 10256814 XHUTWTRBEFXTBL-UHFFFAOYSA-N 431.514 2.007 0 40 IEAB CNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1 10667356 UULOCIZUOZCFAZ-UHFFFAOYSA-N 440.157 2.358 0 40 IEAB O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1ccc(COCC(F)(F)F)cc1 11483783 SQDSLDLOFSODKD-UHFFFAOYSA-N 435.402 2.475 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3C)CC2)cc1 12944455 XRLKMZKNIRYPJQ-UHFFFAOYSA-N 438.571 2.444 0 40 IEAB COc1ccccc1[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 13164450 SHGQCJPLXVTKOJ-XYSGSMRZSA-N 443.569 2.491 0 40 IEAB CC(C)Cn1nnc(NC(=S)NC(=O)c2cccc(I)c2)n1 17096751 ROABFCJQRBWACV-UHFFFAOYSA-N 430.275 2.061 0 40 IEAB C[C@@H]1Cc2cc(C(=O)N3CC[C@H](c4nc5c(c(=O)[nH]4)CCN(C(=O)C4CC4)C5)C3)ccc2O1 19497905 DOWVPUWNIWEIMQ-PBHICJAKSA-N 448.523 2.018 0 40 IEAB O=C(c1cc[nH]n1)N1CCO[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 19695699 YZKCTQKHAQGRAQ-INIZCTEOSA-N 426.498 2.311 0 40 IEAB COc1ccc(-c2nc(C3CCN(C(=O)[C@@H](C)Cn4cccn4)CC3)[nH]c2C(N)=O)cc1 19696939 LPAYTAQJCALSOD-HNNXBMFYSA-N 436.516 2.423 0 40 IEAB O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCc2ccccc2C1)Nc1cccc(Cl)c1 20465239 RKCGBXRCZCQVEY-IVAOSVALSA-N 431.920 2.009 0 40 IEAB biogenic,in-vitro Cc1nccn1-c1ccc(CNC(=O)COc2ccc(CN(C)S(C)(=O)=O)cc2)cc1 22513904 ISSMNPKFEDHYGA-UHFFFAOYSA-N 442.541 2.267 0 40 IEAB C[C@@H](Sc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1nc2ccccc2c(=O)[nH]1 22888241 PEZPHLPJEXGCLX-CYBMUJFWSA-N 432.527 2.192 0 40 IEAB Cc1nc2c(C(=O)N3CCOCC3)nc(-c3ccccc3)cc2n1[C@@H]1CCS(=O)(=O)C1 32616443 ZHYZHQPMEGMGNQ-QGZVFWFLSA-N 440.525 2.239 0 40 IEAB Cc1ccc(Nc2nc(N)nc(CN3CCN(S(=O)(=O)c4cccs4)CC3)n2)cc1 36442637 ASSBAEBDKAPKIQ-UHFFFAOYSA-N 445.574 2.074 0 40 IEAB COc1cc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C)cc(OC)c1OC 40312714 WLCDQYNJJUNPIY-QFIPXVFZSA-N 425.441 2.260 0 40 IEAB biogenic C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2nc(Cc3ccccc3)no2)C1=O 48260607 LLTJNLPTZSBZEE-NRFANRHFSA-N 440.481 2.031 0 40 IEAB Cc1nc(CN2CCN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)CC2)cs1 58162798 IKMVMNKHAULNOS-UHFFFAOYSA-N 425.514 2.181 0 40 IEAB CCCN1CCN(C(=O)CCn2cnnn2)[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72351410 QPIRYHJQKJRNFR-QFIPXVFZSA-N 432.528 2.422 0 40 IEAB Cc1c(C(=O)NS(=O)(=O)c2cccc(-c3nnco3)c2)cnn1-c1ccc(F)cc1 89544898 PMYYJEOBTRTXGY-UHFFFAOYSA-N 427.417 2.489 0 40 IEAB CN1CC(=O)N(c2ccsc2)C[C@@]12CCN(S(=O)(=O)c1cc(F)cc(F)c1)C2 96077307 YJMQPBDKWLZOTM-SFHVURJKSA-N 427.498 2.138 0 40 IEAB COc1ccc([C@@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)c(OC)c1OC 96115066 GFXOMACXMPHZSX-OAHLLOKOSA-N 433.457 2.060 0 40 IEAB biogenic Cc1ccc(Cn2ccs/c2=N/C(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 103116238 VJTCBESJXPZDNX-WCWDXBQESA-N 448.504 2.356 0 40 IEAB CCN1CCN(C(=O)c2ccc(OC)c(CN(C)S(=O)(=O)c3ccccc3)c2)CC1 224773813 SYKWTWFGHIAFDE-UHFFFAOYSA-N 431.558 2.294 0 40 IEAB Cc1nccn1-c1ccccc1CNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O 224852033 JYILYJAIUDIMSP-UHFFFAOYSA-N 430.505 2.398 0 40 IEAB COc1ccc(NC(=O)CN2CCO[C@H](c3cc(-c4cnc(N)nc4)cc(C)n3)C2)cc1 257205820 BASFWEMQUOUHED-NRFANRHFSA-N 434.500 2.450 0 40 IEAB Cc1nc(C(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCN(C)CC3)CC2)co1 257216449 CUOBPBDAZXCFIH-FIXSFTCYSA-N 426.561 2.202 0 40 IEAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1ccc(O)nc1=O 257285742 PIPIKWOERKBEKD-ZAZYSFHNSA-N 436.556 2.424 0 40 IEAB COc1ccc(N(CCCC(=O)NCCCN2CCC[C@H](C)C2)S(C)(=O)=O)cc1 260838910 FASCYRPZFCBSLL-SFHVURJKSA-N 425.595 2.480 0 40 IEAB CS(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 1431461 DRTPWUANRMOBHC-QGZVFWFLSA-N 426.491 2.021 0 40 IEAB Cn1nc(C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c2ccccc2c1=O 9056348 PLWSBQHZZORKEZ-HXUWFJFHSA-N 432.480 2.354 0 40 IEAB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2n[nH]c3ccccc23)c1 9245250 KQZJFPOXSMJUDP-UHFFFAOYSA-N 436.877 2.262 0 40 IEAB CN1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2C1 9252900 WHHQPCWENOZRQK-PGRDOPGGSA-N 442.878 2.425 0 40 IEAB O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N1CCN(c2ccccc2F)CC1 9568780 UODBWHXWFXHXIT-INIZCTEOSA-N 440.475 2.234 0 40 IEAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1 9743699 DGDCKIUMFBKEKB-IBGZPJMESA-N 447.532 2.192 0 40 IEAB O=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030216 UMZLAAWMVQILIR-QGZVFWFLSA-N 427.931 2.231 0 40 IEAB CCCN1C(=O)N[C@@H](CCC(=O)N2CCC3(CC2)OCCc2cnc(C(C)C)nc23)C1=O 12126161 DJUKDSOSKAAWLA-KRWDZBQOSA-N 443.548 2.101 0 40 IEAB COc1ccc(C(=O)O[C@@H](C)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCCC[C@@H]1C 12785833 JLVDBXVFMWOTQJ-HOTGVXAUSA-N 438.546 2.426 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)cc1 12909600 ASQIGBHOLLJDNB-SFHVURJKSA-N 430.526 2.170 0 40 IEAB NC(=O)c1c(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)sc2c1CCCC2 13000324 QAPIQDYZIPKJQU-UHFFFAOYSA-N 426.542 2.122 0 40 IEAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)CC1=O 13164059 MKYCXRZRDWBMGA-WMZOPIPTSA-N 447.582 2.191 0 40 IEAB C[C@@H](CCOc1ccc([C@@H]2CC(=O)NC2=O)cc1)Oc1ccc([C@@H]2CC(=O)NC2=O)cc1 13549489 OOYBLZBMDSJHSD-GKCIPKSASA-N 436.464 2.183 0 40 IEAB CC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2cccc(C)c2[nH]c1=O 13879220 RBAYRKPIKNRBGG-VQTJNVASSA-N 440.548 2.338 0 40 IEAB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)ccc21 14241405 XJQVXMUOEHUFJO-ZOCIIQOWSA-N 438.480 2.051 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1cccc(NC(C)=O)c1)c1ccc2c(c1)OCCO2 14399502 MQLOULFGCUJQPU-UHFFFAOYSA-N 433.486 2.211 0 40 IEAB CCc1n[nH]c(SCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)n1 14803135 NFRJLTLCAGNWFO-UHFFFAOYSA-N 436.563 2.050 0 40 IEAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 14809429 JRQBXQJPKQDYPL-HNNXBMFYSA-N 437.496 2.479 0 40 IEAB CCN(CC)C(=S)SCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 18242520 BSBHZBABHQLSFC-UHFFFAOYSA-N 433.596 2.019 0 40 IEAB COc1cccc2c1O[C@H](CN1CCN(C[C@@H]3COc4cccc(OC)c4O3)CC1)CO2 19365951 KHRMPWAELMUFBE-QZTJIDSGSA-N 442.512 2.301 0 40 IEAB OCCn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(CC3=CCCOC3)C2)n1 19404126 IWUNBMUDSHSYRP-FQEVSTJZSA-N 438.576 2.459 0 40 IEAB C[C@H]1Cc2cc(C(=O)N3CC[C@H](c4nc5c(c(=O)[nH]4)CCN(C(=O)C4CC4)C5)C3)ccc2O1 19497906 DOWVPUWNIWEIMQ-YOEHRIQHSA-N 448.523 2.018 0 40 IEAB CCC[C@]1(C(=O)OCC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 19501965 PWHHLLSJOAWOAM-JFNLIGNMSA-N 448.516 2.080 0 40 IEAB Cc1nc([C@@H]2CCN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)C2)ncc1C(N)=O 19758198 VPNWHUDWYRFSAL-GFCCVEGCSA-N 432.406 2.269 0 40 IEAB Cc1ncc(C(=O)NC2CCCCC2)c([C@@H]2CCCCN2S(=O)(=O)c2cn(C)cn2)n1 19767031 GSQHQMAGIHBQOG-SFHVURJKSA-N 446.577 2.497 0 40 IEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 20504075 RDYYNNNAKVQNDY-CMCWBKRRSA-N 431.448 2.043 0 40 IEAB CC1(C)O[C@@H]2C=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 22055560 ZIASJPXEBODFKN-VZFRDGCYSA-N 432.488 2.339 0 40 IEAB in-vitro C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 23560764 YOOMFSJQLFEWPT-RISCZKNCSA-N 429.546 2.479 0 40 IEAB Cc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)nc1O 24754711 VQZCNJMOHUAXOA-UHFFFAOYSA-N 437.547 2.181 0 40 IEAB O=C(NCCN1CCc2ccccc2C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 30634672 ZWXDRPSSLWUAID-OAQYLSRUSA-N 427.570 2.262 0 40 IEAB Cc1noc(C)c1CN1CCN([C@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)CC1 36354823 KXORMWRXCSECCD-NRFANRHFSA-N 426.473 2.274 0 40 IEAB CS(=O)(=O)c1ccc2nc(NC(=O)C[C@H]3NC(=O)c4ccccc4N=C3O)sc2c1 36594823 IYSGXJZJPPYPKF-CQSZACIVSA-N 444.494 2.429 0 40 IEAB O=C(CN1CCN(C(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)CC1)NC1CC1 37187879 QODOGRHGORDQAY-JOCHJYFZSA-N 433.508 2.177 0 40 IEAB CC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 39351795 FPVRUILUEYSIMD-YVLHREHFSA-N 434.504 2.467 0 40 IEAB C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCN(C(=O)c5ccco5)CC4)[C@H]3[C@H](O)[C@@]21C 49662075 KJPDWMMNIXDJJC-LGBDTUAMSA-N 428.529 2.322 0 40 IEAB CSc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc(N4CCCC4)nc32)c1 57520580 JNFNHDJKUBTEBG-UHFFFAOYSA-N 431.543 2.118 0 40 IEAB COC(=O)[C@@H](CCSC)NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O 71335637 AXSAFDITBFKDKZ-LJQANCHMSA-N 425.510 2.474 0 40 IEAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)C(C)C)c1 72288214 SZNYEVHWGWUPOQ-ICSRJNTNSA-N 446.525 2.103 0 40 IEAB Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccccc1F 84028334 QKSLOMXEBRMHHF-UHFFFAOYSA-N 431.239 2.218 0 40 IEAB COc1ccc(CN[C@@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)cc1 96113491 GPAVCRUKHYJXAP-RTBURBONSA-N 428.533 2.415 0 40 IEAB biogenic,in-vitro COc1cc2c(cc1OC)CN(Cc1coc(O)c(CN3CCSCC3)c1=O)CC2 100797173 RNDOJQWXHLGTGT-UHFFFAOYSA-N 432.542 2.470 0 40 IEAB biogenic O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCC(=O)N1CCC(Cc2ccccc2)CC1 103125872 NVCNNCMUJUPELG-OYRHEFFESA-N 438.524 2.352 0 40 IEAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1 138648547 MSXVZQJOYBPVEG-LJQANCHMSA-N 437.496 2.487 0 40 IEAB CS(=O)(=O)N1CC[C@@H](C(=O)NCc2nc(-c3cccs3)no2)Oc2ccccc21 222749974 QRDBOSNYZSNYEF-AWEZNQCLSA-N 434.499 2.032 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C 225069108 YPGXQLHAHWXGKP-LBPRGKRZSA-N 435.527 2.402 0 40 IEAB Cc1ncsc1CN1C[C@@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccn3)[C@@H]2C1 306127460 FZAVKKYGAIBWBO-SJORKVTESA-N 443.554 2.078 0 40 IEAB Cc1nnc(N2C(=O)c3ccc(C(=O)OCC(=O)NCc4ccccc4)cc3C2=O)s1 408685559 LLPFHDSLJJAGDE-UHFFFAOYSA-N 436.449 2.120 0 40 IEAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(COC(C)=O)O2)sc2c1CCCC2 409286054 PMVOEUXVNBNOPP-DSPCLPSOSA-N 445.493 2.180 0 40 IEAB CCOC(=O)N1CCC(N2CCN(C(C)=O)C[C@](O)(COc3ccc(C)c(C)c3)C2)CC1 585283093 PRAQZNTWYHGSQM-XMMPIXPASA-N 447.576 2.198 0 40 IEAB CN(c1ncccc1C(F)(F)F)[C@H]1CCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1889205580 MNYZAYYKKXJKFC-HNNXBMFYSA-N 448.511 2.199 0 40 IEAB FC(F)(F)c1nnc2ccc(N3CCN(c4nccc(-c5ccncc5)n4)CC3)nn12 2087045948 CIJWAXYTCYNUHD-UHFFFAOYSA-N 427.394 2.322 0 40 IEAB CCOC(=O)N1CCN(C(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)CC1 656264 CEWIRNDAOQFTAV-UHFFFAOYSA-N 449.504 2.322 0 40 IEAB CC(=O)N[C@@H](CC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccccc1 2654532 MEQBFSBQCHNQKK-HNNXBMFYSA-N 429.498 2.085 0 40 IEAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C 9643650 SOGQSSAGBIAVIA-UHFFFAOYSA-N 435.502 2.081 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)c1C 9666612 RYUBIPBIQMLHJK-UHFFFAOYSA-N 445.497 2.079 0 40 IEAB CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(Cl)ccc1-n1cncn1 9671584 MQIIHEVFMMTVAC-GOSISDBHSA-N 431.905 2.246 0 40 IEAB O=C(CSc1nnc(NCCc2ccccc2)s1)N1CCN(c2ncccn2)CC1 9789036 XDWNRIRNOIVEEH-UHFFFAOYSA-N 441.586 2.424 0 40 IEAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1nonc1NC(C)=O 9877533 LQZJIXYQPJOPDJ-UHFFFAOYSA-N 429.462 2.240 0 40 IEAB NC(=O)c1cc2cc(F)ccc2nc1[C@@H]1CCCN(C(=O)CCNC(=O)c2cccnc2)C1 12255714 OSSRTEXVJASFNG-MRXNPFEDSA-N 449.486 2.394 0 40 IEAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1SCc1ccsc1)c(=O)n2C 12547459 WXSDOSXKHWVMTK-UHFFFAOYSA-N 441.538 2.426 0 40 IEAB Cn1cccc1C(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1 12552821 ZDTUMTDNBZVODU-UHFFFAOYSA-N 436.559 2.034 0 40 IEAB COc1ccc([C@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)N2CCCCC2)cc1 12568780 GPNKHEDVBNHLLC-CVDCTZTESA-N 428.533 2.059 0 40 IEAB COc1ccc2c(C)c(CCC(=O)NCc3ccc(S(N)(=O)=O)cc3)c(=O)oc2c1 12607680 XVSXPEIALIUJFQ-UHFFFAOYSA-N 430.482 2.006 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C 13037909 ZWJMZLVCWQKIEO-UHFFFAOYSA-N 446.573 2.371 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)Cc2c(Cl)cccc2Cl)c(=O)[nH]c1=O 13040750 KZSGQCXJARQFOH-UHFFFAOYSA-N 443.331 2.448 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 14232185 SCBYFHVTJLCFTB-LJQANCHMSA-N 429.542 2.269 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cc(F)ccc3F)CC2)cc1 14916458 JFUNJDHZUKMRQZ-CQSZACIVSA-N 439.484 2.307 0 40 IEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c1 15638261 YPBIXZNIFFWKCG-INIZCTEOSA-N 431.514 2.098 0 40 IEAB O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ncccc21)N1CCc2ccccc21 17178978 GJSCJNBVFKTKFD-UHFFFAOYSA-N 426.476 2.390 0 40 IEAB COc1ccc(-c2nc(C3CCN(C(=O)CCN4CCC(C)=N4)CC3)[nH]c2C(N)=O)cc1 19698820 QOJGYLNZSGQLPM-UHFFFAOYSA-N 438.532 2.362 0 40 IEAB Cc1nc(C2CCN(C(=O)CN3CCOCC3)CC2)ncc1C(=O)Nc1ccc(F)cc1 19763976 NTLFLDYNZBCEQH-UHFFFAOYSA-N 441.507 2.215 0 40 IEAB CC[C@@H](c1nc2ccccc2c(=O)n1CCN1CCOCC1)N1C(=O)c2ccccc2C1=O 20518276 CPLCAKMLESLVQS-NRFANRHFSA-N 446.507 2.476 0 40 IEAB CC(=O)N1CCN(C(=O)COc2ccc3cc(-c4csc(C)n4)c(=O)oc3c2)CC1 20744878 KLORPWKMALRYRY-UHFFFAOYSA-N 427.482 2.294 0 40 IEAB Cc1sc2ncn(CC(=O)NC[C@H](c3cccs3)N3CCOCC3)c(=O)c2c1C 22373868 GGMBICMJYMNJDY-OAHLLOKOSA-N 432.571 2.326 0 40 IEAB CCCCOC[C@@H](O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 22802852 IZVQLSNBASPZJP-FQEVSTJZSA-N 439.556 2.231 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2)cc1 23042626 VJORCHOMOMYZRP-OAQYLSRUSA-N 442.537 2.425 0 40 IEAB COC(=O)c1ccc2c(=O)[nH]c(CSc3n[nH]c(=O)n3CCc3ccccc3)nc2c1 23641685 WGIGNQLVQGSDOP-UHFFFAOYSA-N 437.481 2.130 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CCOCC1 24578007 GCLUFRPXYPULMP-ZDUSSCGKSA-N 427.375 2.252 0 40 IEAB CCc1nnsc1C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 25152733 FSBBHMIGLQRSTB-UHFFFAOYSA-N 430.921 2.262 0 40 IEAB CCCn1c(N2CCN(C(=O)C3CCCC3)CC2)nc2cc3c(cc2c1=O)OCCO3 28555962 JRVRHHKHTIKEPV-UHFFFAOYSA-N 426.517 2.417 0 40 IEAB CSc1ccccc1NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 32904806 GMJWGVXJOAOUTP-MRXNPFEDSA-N 442.584 2.129 0 40 IEAB CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccc(Br)o1)C(=O)NCCN1CCOCC1 32925709 MWSDDIOKJFYMEE-YMOJXRKHSA-N 442.354 2.035 0 40 IEAB C[C@H](C(=O)N1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 34872846 FFBDUPNMMXLUAQ-OAHLLOKOSA-N 433.496 2.413 0 40 IEAB Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 48355760 PASQBSXLCMZKMV-IERDGZPVSA-N 442.539 2.402 0 40 IEAB CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2CCOCC2)cn3C2CC2)CC1 51364370 UHCADSDRUNUZDX-UHFFFAOYSA-N 428.508 2.090 0 40 IEAB CN(C)c1ccc(NC(=O)CNC2=NS(=O)(=O)c3ccccc32)c(C(F)(F)F)c1 59576356 YVNNCWMCCZCJDH-UHFFFAOYSA-N 426.420 2.449 0 40 IEAB Cc1c(Cl)cccc1S(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 70924532 RRXBEGKBAWOKJD-UHFFFAOYSA-N 443.978 2.423 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)N1c2ccccc2CC[C@H]1C(=O)N1CCN(C)CC1 95953824 MWFMPKIQJYABQY-FQEVSTJZSA-N 431.533 2.418 0 40 IEAB CC(C)C[C@@H]1C(=O)N2c3ccccc3[C@]3(O)C[C@@H](n4cnc5ccccc5c4=O)C(=O)N1[C@H]23 96295977 JRWGMVQNKKWNRY-KYXKYNKESA-N 444.491 2.159 0 40 IEAB biogenic,in-vitro COc1ccc(C2=NO[C@H]3[C@@H]2[C@H]2O[C@H]3[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)c(OC)c1 101279915 MZTJORHDZYNNJI-YWJLGXAASA-N 434.448 2.318 0 40 IEAB O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206906691 HJQBDMXXMLYTKP-UHFFFAOYSA-N 441.495 2.452 0 40 IEAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCN1CCOCC1 223192516 NJBIHHHWODAEIZ-QHCPKHFHSA-N 427.520 2.234 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223565952 BVZTUOHELMUDOF-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB COc1ccc(Cl)cc1N(CC(=O)NCCOCc1ccccc1)S(C)(=O)=O 223671305 SLRKCXBKMDVTCW-UHFFFAOYSA-N 426.922 2.448 0 40 IEAB Cc1ccc(C)c(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1 224547797 VQSASYHWXCDYKW-UHFFFAOYSA-N 445.585 2.218 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)nc2c1CCN(C(C)=O)C2 257281704 OQOVXEHGDSZSNC-INIZCTEOSA-N 441.507 2.347 0 40 IEAB O=C(NS(=O)(=O)c1ccccc1Br)c1ccc(N2CCOCC2)cc1 257309059 TZIMQJIHZDMXIS-UHFFFAOYSA-N 425.304 2.404 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cc(C)ccc2OC)CC1 408595520 SBDCWQMWRRVMCG-QGZVFWFLSA-N 447.557 2.028 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1 408595681 SORTUWIWUPPQPY-MRXNPFEDSA-N 435.521 2.158 0 40 IEAB C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CC[C@@H](CNc2ccccn2)C1 506071570 LNRDFUXRFQVHMN-REWPJTCUSA-N 437.588 2.353 0 40 IEAB CC(C)NC(=O)c1ccc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 523721428 FJRUNQZAHINAMA-UHFFFAOYSA-N 429.542 2.308 0 40 IEAB COCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 8815964 KNQRQVOHZNRGLV-KRWDZBQOSA-N 445.541 2.301 0 40 IEAB CCC(=O)NCCc1nc2cc(NC(=O)Cn3nc(C)c4ccccc4c3=O)ccc2n1C 9243676 IEYZXESGHYZWEJ-UHFFFAOYSA-N 446.511 2.299 0 40 IEAB Cc1occc1-c1nnc(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n1C 9256137 CMWPEAAKTFBDBT-UHFFFAOYSA-N 432.506 2.008 0 40 IEAB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccccc3NCCO)c2C(N)=O)C1 9442689 VEXPEXKTDYGALX-GFCCVEGCSA-N 431.514 2.172 0 40 IEAB Cc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CS(=O)(=O)C3)cc1 10250497 YFGRALVECGRBLM-UHFFFAOYSA-N 438.509 2.172 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1Cl 11866628 JUTCTFBRQCOECK-AWEZNQCLSA-N 431.876 2.279 0 40 IEAB COCCNS(=O)(=O)c1c(C)cc(C)c(N(C)S(=O)(=O)c2ccccc2)c1C 12080346 ANOLTWKSENJDGD-UHFFFAOYSA-N 426.560 2.362 0 40 IEAB O=C(CN1CC[C@@]2(CCC1=O)CNC(=O)c1ccccc1O2)NCCc1cccc(F)c1 12086615 LXRORROJKUWUEZ-DEOSSOPVSA-N 439.487 2.058 0 40 IEAB NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCC2)c2ccc(F)c(Cl)c2)c1N 12480678 OAUISCKWZOGYMD-UHFFFAOYSA-N 439.900 2.322 0 40 IEAB O=C(CSc1nnnn1Cc1ccccc1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1 13128770 QVGSBXAMEIBXMD-GOSISDBHSA-N 443.554 2.034 0 40 IEAB CCc1cc2c(SCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)ncnc2s1 13164461 UZAQBLJSWNUVFM-UHFFFAOYSA-N 433.603 2.112 0 40 IEAB CN(C)S(=O)(=O)c1cc(C(=O)NC2(C(=O)O)CCCCC2)ccc1Br 13168497 LVDZHYJROABYHE-UHFFFAOYSA-N 433.324 2.217 0 40 IEAB COc1cccc(CCN[C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)c1 13371957 HKHMSEKQCKCQNO-OALUTQOASA-N 443.974 2.120 0 40 IEAB COc1ccc(CN2CCN(S(=O)(=O)c3cnc(-c4ccncc4)nc3C)CC2)cc1 19552899 ZVAKBQQKQXTKHE-UHFFFAOYSA-N 439.541 2.362 0 40 IEAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)CC3CCCC3)C1)C2=O 19699579 BBUZTAHZZGIDKX-SFHVURJKSA-N 432.565 2.127 0 40 IEAB Cc1nn2c([C@H]3CCN(C(=O)COc4ccc(F)cc4)C3)ccnc2c1Cn1cncn1 19707657 BTLPSTOANPJQKA-INIZCTEOSA-N 435.463 2.212 0 40 IEAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)c1ccc3c(c1)OCCO3)C2 19708613 RDNMONXLBJGZOF-SFHVURJKSA-N 437.500 2.171 0 40 IEAB CC(=O)NCC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2 19739775 YMQOXEGDMXNMMN-HXUWFJFHSA-N 435.528 2.107 0 40 IEAB COc1ccc(CCNC(=O)N[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1OC 20112644 OIOBSHSWPITTCO-QFIPXVFZSA-N 443.500 2.470 0 40 IEAB biogenic CCN1CCN([C@H](c2cc(OC)c(OC)c(OC)c2)c2sc3ncnn3c2O)CC1 22030992 JWACXBYAQDWQOI-MRXNPFEDSA-N 433.534 2.249 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)Cn1ccn(-c2ccc(OCC)cc2)c(=O)c1=O 22725783 XGAVUEPASSFNGH-UHFFFAOYSA-N 437.452 2.213 0 40 IEAB O=C(CCn1nc(-c2cccs2)oc1=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 23818962 KJQLQEHCBGERSG-UHFFFAOYSA-N 439.497 2.462 0 40 IEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N(CC(=O)N3CCCCC3)c3ccccc3)ccc21 27914455 YEIPUQFZOPHLLY-UHFFFAOYSA-N 442.541 2.085 0 40 IEAB CCN1CCC(NC(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)CC1 32753491 DCEXTBSTGSFWCB-UHFFFAOYSA-N 445.541 2.108 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCO2 34867456 ITIBNIJXGYOKFS-UHFFFAOYSA-N 437.905 2.014 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)[C@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1 44908764 YYCLHMPWUGCVTD-MGPUTAFESA-N 434.514 2.196 0 40 IEAB COc1ccc(OCc2nc(C)cc(=O)n2CC(=O)NCc2ccc3c(c2)OCO3)cc1 51319408 XELWCMGJHXXFLE-UHFFFAOYSA-N 437.452 2.184 0 40 IEAB Cc1ccccc1N1CCN(CC(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)CC1 58173798 ZGMSPMCRTGNBLB-QFIPXVFZSA-N 441.597 2.333 0 40 IEAB COc1ccc(N2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2=O)cc1OC 95427812 GEMVTQBTHLZYSB-CABCVRRESA-N 433.505 2.182 0 40 IEAB COc1cccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)c1 409115146 ISARGIBRGQDJPB-UHFFFAOYSA-N 433.530 2.486 0 40 IEAB Cc1cc(S(=O)(=O)Nc2ccc(-n3cnnn3)c(C)c2)ccc1OCCCC(=O)O 522397812 UBTLULPHZSWMCL-UHFFFAOYSA-N 431.474 2.324 0 40 IEAB Cc1nc(N2C[C@H]3CN(C(=O)C4(c5ccccc5)CCOCC4)C[C@@H]3C2)nc(O)c1F 1888890664 RXZPEQXMFZHUEK-IAGOWNOFSA-N 426.492 2.273 0 40 IEAB O=C(Nc1ccccc1O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 793010 OIHHFYDRYVZMPC-UHFFFAOYSA-N 441.303 2.428 0 40 IEAB COc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1S(=O)(=O)N1CCCC1 2662347 LLNWQHSAXDAOSQ-INIZCTEOSA-N 432.498 2.050 0 40 IEAB O=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 3354178 MZPJLXYKXAIYEU-UHFFFAOYSA-N 445.888 2.299 0 40 IEAB CC(C)C[C@H](NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)O 8918465 HUIMUGVASZIPBT-IRXDYDNUSA-N 441.569 2.390 0 40 IEAB biogenic COc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1OC 8934844 DVPIINQIAAJZKC-UHFFFAOYSA-N 428.532 2.112 0 40 IEAB CCOc1ccc(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)cc1 9001352 KLXNSOJXPRSUCF-UHFFFAOYSA-N 431.452 2.039 0 40 IEAB COc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1OC 9356112 KCCBFUNRQMFUFY-ZRDIBKRKSA-N 446.525 2.259 0 40 IEAB O=c1ccc(-c2ccccc2)nn1CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 11738475 SDZGFVHYSGTPBZ-UHFFFAOYSA-N 427.482 2.050 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)c(Cl)c2)C1=O 12006040 DGGDMXRYKJNDLH-LLVKDONJSA-N 436.873 2.311 0 40 IEAB Cc1cc(-c2cncnc2[C@H]2CCCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)C2)on1 12128108 SBOSVFAJZBHCFC-OBRACTJBSA-N 449.511 2.177 0 40 IEAB NC(=O)CCc1nnc(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)n1C[C@H]1CCCO1 12996944 FUYYJCRRJIKXTD-GFCCVEGCSA-N 448.936 2.057 0 40 IEAB Cc1ccc(Cl)cc1N1CCN(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)CC1 16551405 UKZNMHRKXKWYAS-LJQANCHMSA-N 442.025 2.442 0 40 IEAB O=c1[nH]c2cc3c(cc2c(=O)n1Cc1nc(-c2ccccc2Br)no1)OCO3 16844356 BMEPSSVXUVCTFW-UHFFFAOYSA-N 443.213 2.279 0 40 IEAB COc1ccc(CN2C(=O)Cc3c(C)nc([C@@H]4CCCN(S(C)(=O)=O)C4)nc32)cc1 19744579 NRVTYEHNVPDQHP-MRXNPFEDSA-N 430.530 2.022 0 40 IEAB CN1CCN(C(=O)c2cc([C@@H]3CN(C(=O)c4ccccn4)CCO3)nc3ccccc23)CC1 19762777 GQKQYABIBHOAIM-QHCPKHFHSA-N 445.523 2.231 0 40 IEAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20105943 ZBHPNKDREATMOP-IBGZPJMESA-N 431.514 2.382 0 40 IEAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20483846 FKFUGXYMOUJKEW-FQEVSTJZSA-N 426.498 2.024 0 40 IEAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1C 21184816 DFTVDXUYHYNOQX-GFCCVEGCSA-N 447.542 2.257 0 40 IEAB Cc1ccnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 21203510 PHIZOSHSIOUCSN-UHFFFAOYSA-N 428.489 2.467 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 21682591 XFKOHTQSLDYWMM-UHFFFAOYSA-N 431.514 2.192 0 40 IEAB Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22796476 YXBLYUIRVHPFNV-OAQYLSRUSA-N 428.964 2.370 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 30608150 YRQPNVYCJNFEBW-HNNXBMFYSA-N 437.949 2.364 0 40 IEAB COc1ccc2[nH]c(=O)c([C@@H]3c4cc(OC)c(OC)cc4CCN3S(C)(=O)=O)cc2c1 35314697 FHTSQDJLIZQRRS-NRFANRHFSA-N 444.509 2.461 0 40 IEAB COc1ccc2c(c1)c([C@H](C(=O)O)N1CCN(Cc3ccncc3)CC1)cn2CC(=O)O 36354222 HYBOBAWSGCSYKH-JOCHJYFZSA-N 438.484 2.073 0 40 IEAB Cc1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)s1 36366017 COOUGESYAADVAJ-AWEZNQCLSA-N 434.543 2.228 0 40 IEAB C[C@@](O)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCO2 77184716 WWWAQDXCRPWDDZ-GOSISDBHSA-N 426.347 2.276 0 40 IEAB COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 89420167 KOUIGIMBPIURKF-KBXCAEBGSA-N 433.892 2.110 0 40 IEAB CC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc2cc(-c3nc(C)no3)ccn2c1=O 90592183 OVFWUYOCKXIKDO-QGZVFWFLSA-N 438.444 2.461 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N(CCO)C2CCCC2)c1 95986195 UJNHGYHRAWFTML-UHFFFAOYSA-N 438.999 2.296 0 40 IEAB COc1ccc(Cl)cc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 101388187 VUVKKZUXXQAZDA-DLBZAZTESA-N 431.811 2.420 0 40 IEAB COc1ccc(-c2noc(COC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)n2)cc1OC 101440852 LPKOBWDGZAYSHR-QEJZJMRPSA-N 441.440 2.137 0 40 IEAB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5cccs5)[C@H]34)[C@@H]2C1=O 102786294 DVRQTSNAVXBUAN-CMETXNOISA-N 448.547 2.056 0 40 IEAB O=C(CSc1nc2ccccc2s1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 206905052 PXXKTPLDSYUYJL-UHFFFAOYSA-N 438.542 2.108 0 40 IEAB CN(Cc1nc(-c2ccccc2)no1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O 219449053 UQCBZTUAPGDWDX-UHFFFAOYSA-N 440.481 2.320 0 40 IEAB C[C@H](NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223879724 SUJICOAHJXWCNN-UONOGXRCSA-N 442.534 2.261 0 40 IEAB COC(=O)Nc1ccc(S(=O)(=O)N2CCc3nc4ccc(Cl)cn4c(=O)c3C2)cc1 225781860 GLZBZRMHVWWUHG-UHFFFAOYSA-N 448.888 2.273 0 40 IEAB Cc1ccccc1NC(=O)[C@H]1[C@@H]2C(=O)N(C3CC3)[C@@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 245230305 OYERLAYDOBTEPS-JWEZWNSLSA-N 435.524 2.305 0 40 IEAB Cc1cnn(CC(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCC(O)CC3)CC2)c1 257245495 IPTBMTGZKDOGKM-LSQMVHIFSA-N 440.588 2.006 0 40 IEAB O=C(NCCN1CCOCC1)c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12 306131844 KQSNCQKVSMOFSD-OAQYLSRUSA-N 447.539 2.374 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(F)c1 408605456 IWUFKMGPPXXPMF-QGZVFWFLSA-N 449.504 2.139 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408656835 JHVIXGZZPQALIX-YJKZWKBDSA-N 428.485 2.233 0 40 IEAB CC(=O)NCCCOc1ccc(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)cc1 585280068 JGLJUCXRQNYKTD-XMMPIXPASA-N 446.519 2.373 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)OCC(N)=O)c1C 3346979 VDLVVXWOXYOWFC-LJQANCHMSA-N 430.526 2.064 0 40 IEAB O=C(COC(=O)CCS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OC(F)(F)O2 3355326 GCMNJZQSVKWUFT-UHFFFAOYSA-N 427.381 2.354 0 40 IEAB COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 3636416 LKDWRXCRGCZKFV-LJQANCHMSA-N 448.497 2.460 0 40 IEAB CNc1snc(C)c1C(=O)OCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC 8775389 SSUDRXREIWAEHZ-HNNXBMFYSA-N 430.486 2.032 0 40 IEAB COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2[C@@H]1c1cccc(OC)c1 8964879 OIKLFGVPHUHKLX-IBGZPJMESA-N 433.464 2.476 0 40 IEAB biogenic O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 9190871 SFRPWCFNFOGIFW-OAHLLOKOSA-N 437.481 2.269 0 40 IEAB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1ccccc1F 9289672 GJSPBSXJRCKGEZ-UHFFFAOYSA-N 443.460 2.344 0 40 IEAB O=C(NCCCn1cnc2ccccc21)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 9378478 GAVAUWDJNPCXFW-GOSISDBHSA-N 442.541 2.314 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 12198640 SREAZNOERWTZNK-UHFFFAOYSA-N 432.454 2.187 0 40 IEAB C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H]1c1cccn1C 12567861 IFYNUWLKWRCIKD-DYESRHJHSA-N 446.573 2.210 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1 12814927 FTVOETDMLMUXCE-UHFFFAOYSA-N 432.477 2.205 0 40 IEAB C[C@H]1C[C@H](C)CN(C(=O)Cn2c(SCC(=O)N3CCOCC3)nc3ccccc32)C1 13082969 MYTWADKBEWJBIR-IRXDYDNUSA-N 430.574 2.492 0 40 IEAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)c(C)n1C1CC1 13117468 PIAVJUHFRVUOEG-QFIPXVFZSA-N 433.472 2.065 0 40 IEAB CCOC(=O)N1CCC(NC(=O)COc2ccc3nc4n(c(=O)c3c2)CCCCC4)CC1 13722699 DDWBOZSPHLWGES-UHFFFAOYSA-N 442.516 2.239 0 40 IEAB CCN(CC)c1ccc(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)cc1 14428585 JMQHIJXJCAIYLH-UHFFFAOYSA-N 434.562 2.364 0 40 IEAB COc1cccc(-c2noc(CN3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)n2)c1 16047075 GCBWMPCAABYGIU-HXUWFJFHSA-N 436.468 2.229 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)NCCc1ccc(Cl)cc1 16050544 DPZADZNOLDOBOS-UHFFFAOYSA-N 427.979 2.067 0 40 IEAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)c1 19690124 ILUXZGQQJMXDGJ-FQEVSTJZSA-N 448.527 2.447 0 40 IEAB COCCN1CC=CC[C@H](C2CCN(C(=O)Cn3c(=O)oc4ccc(C)cc43)CC2)C1=O 19698530 ZUCRBNILVCALAD-LJQANCHMSA-N 441.528 2.193 0 40 IEAB Cc1nn(C)c(C)c1CCNC(=O)CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 19748272 JMXOQEGCILMZRL-UHFFFAOYSA-N 436.553 2.326 0 40 IEAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCS2(=O)=O)cc1 24632501 BBOSGGIKBLZPSS-OAQYLSRUSA-N 447.532 2.169 0 40 IEAB CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccnc(N2CCOCC2)c1 30636594 VZNCAGHCIQCFHS-JOCHJYFZSA-N 449.555 2.399 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1N1CCCC1=O 30848114 IQIKUKYDBAERLZ-UHFFFAOYSA-N 433.505 2.472 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CCN(C(=O)C2CC2)CC1 39554987 LHVCHYQYKXIZNS-UHFFFAOYSA-N 433.574 2.300 0 40 IEAB O=C(CCN1C(=O)CCC1=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 40107832 CNYZMPJVRADDMH-OAHLLOKOSA-N 425.407 2.024 0 40 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Cc1nc([C@@H]2CCCN2C(=O)CN(C)C)nc2c1CC(=O)N2CCc1ccccc1F 19744258 MDMYOHZDBSOSHW-IBGZPJMESA-N 425.508 2.281 0 40 IEAB Cc1nn(C)c(C)c1CN(C)C(=O)Cn1cccc(C(=O)Nc2ccc(F)cc2)c1=O 19749973 AUTIRUHFPXSDIF-UHFFFAOYSA-N 425.464 2.249 0 40 IEAB COCCNC(=S)N(CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 19824367 UWULMURQHWDMRW-UHFFFAOYSA-N 446.617 2.190 0 40 IEAB CCCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 23686112 VKOJBFIZIZUJHE-UHFFFAOYSA-N 445.541 2.408 0 40 IEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)Cn1c(=O)n(CC)c2ccccc21 32845787 ATRVEOLMKMZKNO-UHFFFAOYSA-N 438.484 2.081 0 40 IEAB O=C([C@H](c1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCCC1 35388082 BZAVIXKOYAURDM-QFIPXVFZSA-N 427.570 2.498 0 40 IEAB C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccccc2)CC1 36451985 DMKZGSVSHGLZAT-HYMXPIOVSA-N 431.602 2.466 0 40 IEAB CCC(CC)[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)N1CCOCC1 37330482 URAASHRYDMITRV-IERDGZPVSA-N 437.606 2.264 0 40 IEAB CC(C)Cn1c(=O)[nH]c2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)snc2c1=O 49409873 ZBGJLYVAFBOYNH-UHFFFAOYSA-N 447.948 2.418 0 40 IEAB CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3sccc32)C1 57428753 MCXDDIVFTYEVLQ-HNNXBMFYSA-N 441.509 2.016 0 40 IEAB Cc1ccc(N2CCCC2=O)c(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)c1 72307113 KUDVYSHVOVOPHL-UHFFFAOYSA-N 428.514 2.319 0 40 IEAB C[C@@]12CCCN(C(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)[C@H]1CCc1cncnc12 72342444 BTTCHPQUJBRWBP-SIKLNZKXSA-N 426.542 2.307 0 40 IEAB COc1cccc(CC(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)c1 72394882 UWUYFTYCFDZYIJ-PXNSSMCTSA-N 425.529 2.094 0 40 IEAB CC(C)c1ccc(S(=O)(=O)N2CC[C@@]3(CN(c4cccnc4)C(=O)CN3C)C2)cc1 96238063 KIJKMXGDOYANRN-QFIPXVFZSA-N 428.558 2.317 0 40 IEAB COc1ccc(C2(CNC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CCOCC2)cc1 96343453 ZIYDRGGKURJQHE-FQEVSTJZSA-N 437.496 2.000 0 40 IEAB O=C1CCCN1CCCC(=O)N1CCC[C@@H](c2cc3nc4c(c(O)n3n2)CCCC4)C1 100138575 ZTOXCHFYQSQNFS-MRXNPFEDSA-N 425.533 2.422 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 219718805 RQWXMRAGBLAXCI-UHFFFAOYSA-N 447.557 2.492 0 40 IEAB COc1ccc(N(CC(=O)NCCc2ccc(Cl)cc2)S(C)(=O)=O)c(OC)c1 223653883 LOCZPCBQRKQQPC-UHFFFAOYSA-N 426.922 2.482 0 40 IEAB COc1ccc(OCCNC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1 223686224 APHQOOBRJJLXQZ-UHFFFAOYSA-N 442.921 2.318 0 40 IEAB Cc1cnc(CN2CCC[C@]3(C/C=C/COc4ccccc4C(=O)NCCNC3=O)C2)cn1 257311240 UIQBNZNIXBZDAD-YQRKEEQESA-N 449.555 2.252 0 40 IEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 390831049 PHWJHXNJMSJHEJ-QVKFZJNVSA-N 443.525 2.407 0 40 IEAB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@@H]1c1ccco1 408733477 YDERWJZCDGHQMC-WSDUQJHMSA-N 438.461 2.229 0 40 IEAB COC(=O)COc1c(Br)cc(/C=C2/NC(=O)N(C)C2=O)cc1Br 409191038 RMXIQBKQQLHYHY-BJMVGYQFSA-N 448.067 2.286 0 40 IEAB CN(Cc1ncccn1)C(=O)[C@H]1CN(Cc2ncc(C(F)(F)F)[nH]2)CC12CCOCC2 585101870 HEGGFGQFNZSZKJ-CQSZACIVSA-N 438.454 2.106 0 40 IEAB COCCNC(=O)[C@H]1C[C@@H](NCc2ccccc2)[C@H](c2cnc(-c3ccccc3)[nH]2)[C@@H]1O 2332241881 ACHZAAUTYUBQER-KKSHJYNMSA-N 434.540 2.462 0 40 IEAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NCc1ccco1 2633386 GHDBFPJEDZCZBF-UHFFFAOYSA-N 428.466 2.231 0 40 IEAB CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 10873417 GNLXABNIQMEGKA-ZDUSSCGKSA-N 433.486 2.079 0 40 IEAB CC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)ccc2F)c1 12031408 UJEFOGFABIWUOO-INIZCTEOSA-N 439.486 2.241 0 40 IEAB Cc1nn(CC(=O)N2CCC(n3nnc(-c4ccccc4)n3)CC2)c(=O)c2ccccc12 12143203 VUOWYSCTLLVPML-UHFFFAOYSA-N 429.484 2.222 0 40 IEAB CC[C@H](OC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(F)cc1 12464497 UYOSZCRQBILZIR-LRDDRELGSA-N 433.461 2.213 0 40 IEAB Cc1nc2sccc2c(=O)n1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 12750075 QPRLLRGOUDACGQ-UHFFFAOYSA-N 426.907 2.054 0 40 IEAB O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1 17191039 WPJULWVJKVBODD-IBGZPJMESA-N 430.457 2.366 0 40 IEAB CCCc1cc(O)nc(SCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)n1 18226697 FHBLLQHYTMBQCF-UHFFFAOYSA-N 440.547 2.124 0 40 IEAB O=C(CCN[C@@H]1C=CS(=O)(=O)C1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 19374524 NXMJNBTVJSKTLG-QGZVFWFLSA-N 426.542 2.011 0 40 IEAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1 19552849 DIBIBDUDYBTENT-UHFFFAOYSA-N 427.505 2.493 0 40 IEAB C[C@@H]1C[C@@H]1C(=O)N1CCC(N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)CC1 19699328 ZTPILHZUZBFEJL-NQIIRXRSSA-N 438.572 2.263 0 40 IEAB CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)COc1ccc(F)cc1)C2 19708815 UMDWRONQNRELBS-INIZCTEOSA-N 441.507 2.347 0 40 IEAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(CC(=O)N4CCCCCC4)CC3)c2c1 20739149 NCRXWCVQYNECLD-JOCHJYFZSA-N 428.533 2.322 0 40 IEAB Cn1c(=O)c2cc(C(=O)Nc3nc(-c4ccc5c(c4)CCC5)cs3)cnc2n(C)c1=O 22760420 GUUOPOLIYLPYGN-UHFFFAOYSA-N 433.493 2.497 0 40 IEAB C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CCN(Cc3cccs3)CC2)C1=O 22804774 RBVTWNMWMRQBFN-QFIPXVFZSA-N 442.541 2.062 0 40 IEAB O=C(CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCC2)Nc1ccccc1F 22908967 JAEJRVJBXKEDRY-UHFFFAOYSA-N 446.548 2.324 0 40 IEAB COC(=O)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)c1cccs1 25086163 MFJWKYHPFFYPFP-CQSZACIVSA-N 430.935 2.491 0 40 IEAB COC(=O)c1ccccc1N(C)C(=O)CN1CCN(c2cc(C)nc(C(C)C)n2)CC1 29632530 NMBZHKOFAVKEOR-UHFFFAOYSA-N 425.533 2.480 0 40 IEAB NC(=O)Nc1ccc(CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cc1 32899180 WFEAZAFHDNXOEB-UHFFFAOYSA-N 445.273 2.242 0 40 IEAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCS(=O)(=O)N1CCc2ccccc21 40089571 ZJLKCDZAEYADDR-JOCHJYFZSA-N 439.537 2.459 0 40 IEAB CCn1cc(C(=O)NCc2ccc(SC)cc2)c(S(=O)(=O)N2CCSCC2)n1 49400416 CKQURUDFBVLKGC-UHFFFAOYSA-N 440.616 2.292 0 40 IEAB Cn1c(=O)c2ccc([C@@H]3CCCCN3C(=O)Cc3c[nH]c4ccccc34)nc2n(C)c1=O 72374603 DCSKYZARWAPOJA-FQEVSTJZSA-N 431.496 2.410 0 40 IEAB COc1ccc(-c2nn([C@H](C)C(=O)NCc3c(C)nn(C)c3C)c(=O)cc2OC)cc1 96101009 ZYARKLWJAJCYIW-OAHLLOKOSA-N 425.489 2.155 0 40 IEAB Cn1c(=O)oc2ccc(S(=O)(=O)NCCn3nc(C(F)(F)F)cc3C3CC3)cc21 96103789 VMOGXEHTGIAQAY-UHFFFAOYSA-N 430.408 2.203 0 40 IEAB CCN(CC)CCNC(=O)c1ccc2nnc([C@@H]3CN(Cc4ccccc4)CCN3C)n2c1 96156636 ZXMRTYKVLOQWCO-QFIPXVFZSA-N 449.603 2.290 0 40 IEAB CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1 222612136 WUIAULYNNOOJBN-QGZVFWFLSA-N 430.530 2.012 0 40 IEAB O=C(CCc1ccc2c(c1)OCO2)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224339650 WGMCALMMRQTZTB-UHFFFAOYSA-N 446.525 2.328 0 40 IEAB CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O 248204438 AEIZHXWFYSWLLE-UECWXEIQSA-N 437.471 2.295 0 40 IEAB Cn1c(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)cc(=O)n(C)c1=O 257294214 QTCAUNVXLYMHAM-HNNXBMFYSA-N 442.903 2.336 0 40 IEAB Cc1noc(CCC(=O)N2CCO[C@@H](c3cc(CCOc4cccc(F)c4)[nH]n3)C2)n1 257316878 VHJWANAATDJMMU-LJQANCHMSA-N 429.452 2.394 0 40 IEAB CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cccc(OC)c1)S(C)(=O)=O 260899278 KTHUCKANWGFXKJ-ZWKOTPCHSA-N 434.514 2.196 0 40 IEAB CCN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)CC1 408596918 UZSUJSZTIRIVGD-FQEVSTJZSA-N 435.977 2.394 0 40 IEAB COc1cccc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2N2CCC(OC)CC2)c1 585262406 PTIDFOJRNFBMND-LWSSLDFYSA-N 440.540 2.485 0 40 IEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cn[nH]c3)[C@H]21 604406269 AEYCSHLVBWHTGJ-FQEVSTJZSA-N 433.424 2.180 0 40 IEAB biogenic CC(=O)N1CCN(C(=O)Cn2cc(S(=O)(=O)c3ccccc3)c3ccccc32)CC1 8865096 UHRXFFKKDKQOOH-UHFFFAOYSA-N 425.510 2.165 0 40 IEAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1 9491536 FSFWFUQWYNNJCR-GOSISDBHSA-N 443.569 2.463 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2)CC1)c1c(F)cccc1Cl 9570209 MMDJZXSPKGQGCW-UHFFFAOYSA-N 425.913 2.361 0 40 IEAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N[C@H]1CCS(=O)(=O)C1 9612654 BFYQNWJICXQGSB-ZDUSSCGKSA-N 434.568 2.391 0 40 IEAB Cn1c(=O)c(=O)n(C)c2cc(N3CCCC3)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21 9686039 WSHJYLWQTLSHCB-UHFFFAOYSA-N 448.932 2.292 0 40 IEAB COCCn1c(=O)c2c(nc3n(-c4ccc(OC)cc4)c(-c4ccccc4)cn23)n(C)c1=O 9713319 UAMNVDRDLQCZHA-UHFFFAOYSA-N 445.479 2.461 0 40 IEAB Nc1nc(COC(=O)c2ccc(=O)n(Cc3ccccc3)n2)nc(Nc2ccccc2)n1 9836791 NAQIPKZLFUEVGM-UHFFFAOYSA-N 429.440 2.159 0 40 IEAB CCc1ccc([C@H](CNC(=O)c2cccc(N3C(=O)CCS3(=O)=O)c2)N(C)C)cc1 11998227 XOBOGQPTQVRJCJ-FQEVSTJZSA-N 429.542 2.348 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccccc2)c2c(C(N)=O)nc(-c3cccc(OC)c3)nc21 12251446 BFTFRFQAEKFFIB-UHFFFAOYSA-N 431.452 2.270 0 40 IEAB CN(CC(=O)N1CCOCC1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 12972556 HSJSUJBPOAMFMD-INIZCTEOSA-N 432.571 2.278 0 40 IEAB Cc1nn(CC(=O)NCCc2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCC(C)CC1 12986866 DBZSQNPYHNJJKI-UHFFFAOYSA-N 436.553 2.419 0 40 IEAB COC(=O)Cc1ccc(OS(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1 13135056 YUDNEKJISPEEKN-UHFFFAOYSA-N 442.467 2.113 0 40 IEAB COCCn1nnnc1[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1 13504300 FDMCJMFRMSJOGC-SFHVURJKSA-N 430.896 2.113 0 40 IEAB O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCC1 15958689 ACRIVRZALFKCEU-UGCAPWQASA-N 431.492 2.298 0 40 IEAB biogenic CC(C)C(=O)N1CCc2nc3cc([C@H]4CCCCN4C(=O)[C@@H]4CCCO4)nn3c(O)c2C1 19085914 YQUTYBAHQKPTSV-MOPGFXCFSA-N 441.532 2.208 0 40 IEAB COCCNC(=O)c1sc2ncccc2c1[C@H]1CN(CC(=O)N2CCCCC2)CCO1 19702805 YBVHBTWJSGZANU-QGZVFWFLSA-N 446.573 2.058 0 40 IEAB COc1cccc(CN2C(=O)Cc3c(C)nc([C@H]4CCCN4C(=O)Cn4cccn4)nc32)c1 19744170 FMKGLTKNQZSDIV-HXUWFJFHSA-N 446.511 2.443 0 40 IEAB CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)ccc21 20214985 IQIVQONNGBMQSD-UHFFFAOYSA-N 444.557 2.362 0 40 IEAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21532418 DNVXWLARJMJMGJ-IYBDPMFKSA-N 436.434 2.090 0 40 IEAB COc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1 23654055 AKPWVTIXCIGAKY-JLCFBVMHSA-N 431.489 2.314 0 40 IEAB Cc1nonc1CN1CCN(C(=O)c2cc(=O)c3ccc(Br)cc3o2)CC1 27985982 ZZMUAEOOLFQCQV-UHFFFAOYSA-N 433.262 2.205 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 32853772 JODDZLJIIGFLLT-YADHBBJMSA-N 438.528 2.306 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1=O 32923147 SJVGVPBNETUUHP-UZUQRXQVSA-N 425.485 2.368 0 40 IEAB CC(C)(C)OC(=O)N1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 36391150 QSSQQXISOIUIAJ-UHFFFAOYSA-N 434.493 2.049 0 40 IEAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCCC(=O)Nc1ccncc1 58214170 VYGSCKALRQYGSS-KRWDZBQOSA-N 430.892 2.493 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)C1CCN(c3ccc(-n4cccn4)nn3)CC1)CC2 62022704 LBYHIEUZAPJNPI-UHFFFAOYSA-N 448.527 2.481 0 40 IEAB CC1CCN(C(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)CC1 71772581 FORWHLRGDXWOIP-QGZVFWFLSA-N 446.573 2.218 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3c2nc(-c3cccnc3)no2)c1Cl 71890440 PSYSLLWQQHNMAZ-CYBMUJFWSA-N 434.909 2.477 0 40 IEAB CCn1ncc(S(=O)(=O)N2CCC[C@@H](c3cc(C(=O)NC4CCCC4)[nH]n3)C2)c1C 72380703 IRYTUQQDCYPSRI-OAHLLOKOSA-N 434.566 2.175 0 40 IEAB Cn1cnnc1[C@H]1CCCN1C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 95453606 JRAWEOZZKIUXEJ-UFUQCMIWSA-N 441.513 2.264 0 40 IEAB COc1cccc(C(=O)NC[C@]2(COc3ccc(C(F)(F)F)cn3)C[C@H](O)[C@H](O)C2)c1 107430269 OEOYIOONMWKXOW-XEMDLRDOSA-N 440.418 2.420 0 40 IEAB biogenic,in-vitro CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1ccc(F)cc1F 220084283 OQLXEFOKZRLCLO-UHFFFAOYSA-N 427.448 2.219 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224190410 XAIFUIVNDVCOLH-UHFFFAOYSA-N 426.922 2.473 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)NCC2(c3ccccc3)CCOCC2)ccc1OC 225595374 ZRZDQRXTJMRQME-UHFFFAOYSA-N 432.542 2.472 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(-n2ccnc2)cc1 225808705 DPGMJFZUCPQMCJ-INIZCTEOSA-N 428.514 2.352 0 40 IEAB CN([C@H](C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccccc1)S(C)(=O)=O 260843421 RNYOYISVIOQCTR-XLIONFOSSA-N 445.541 2.167 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408670932 XSSAVLYPMCNUBH-NHQIJDEQSA-N 428.485 2.233 0 40 IEAB CN(CCN1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cnn(-c2ccccc2)c1 510419945 AZHACBAIWHVTLP-UHFFFAOYSA-N 439.585 2.311 0 40 IEAB CN1c2ccccc2N(C2CCN(C(=O)Cn3cnc4ccccc43)CC2)S1(=O)=O 575414119 HDHOOVFBUZENCF-UHFFFAOYSA-N 425.514 2.229 0 40 IEAB NC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CC[C@@H]1Oc1ccc(F)cc1 585269127 MFHXNHDVLFVBIZ-SJCJKPOMSA-N 428.432 2.438 0 40 IEAB Cc1cc(=O)c(O)c(C2(CC(=O)N[C@@H](Cc3ccccc3)c3nc[nH]n3)CCOCC2)o1 1547139294 YGKWNPARFRAQLN-KRWDZBQOSA-N 438.484 2.310 0 40 IEAB biogenic COc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 932222 AUFPCIRILPWWQU-UHFFFAOYSA-N 429.458 2.182 0 40 IEAB COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1361958 QWGXEHDCVWMZCT-UHFFFAOYSA-N 446.525 2.184 0 40 IEAB O=C(c1ccc(Cl)nc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 8993918 MLUMYMFVRXMKFE-UHFFFAOYSA-N 437.905 2.043 0 40 IEAB Cc1c(CC(=O)N(CCO)CCO)c(=O)oc2cc3c(cc12)CCC1(CCCCC1)O3 9183921 GLSAGJZBNBCIOJ-UHFFFAOYSA-N 429.513 2.485 0 40 IEAB COc1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1 9183987 ONWDYBAYUNGUGO-DLBZAZTESA-N 445.541 2.239 0 40 IEAB COCCN(C(=O)c1cc2c(F)cccc2s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 9222512 CIMHTZDCBLYEET-UHFFFAOYSA-N 434.493 2.422 0 40 IEAB COc1ccc(C(=O)NCc2nnc(S[C@@H](C)C(=O)Nc3nccs3)n2C)cc1 9263393 ILLKHIDPLVOGGA-NSHDSACASA-N 432.531 2.330 0 40 IEAB C[C@@H]1Oc2ccc(NC(=O)CN3C(=O)N[C@]4(C[C@H](C)CC(C)(C)C4)C3=O)cc2NC1=O 9781996 XDOABKHLXRNZAK-IFMYKAFSSA-N 428.489 2.481 0 40 IEAB Cc1cc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1F 10366916 QNXGZWJAWQUVFU-UHFFFAOYSA-N 427.523 2.216 0 40 IEAB C[C@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)Nc1ccc(N2CCOCC2)cc1 12640457 WIWUSZDRLNXMGK-MGPUTAFESA-N 439.468 2.183 0 40 IEAB O=C(NCCCO)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br 12659267 GILNAGRDJXZZNC-YBEGLDIGSA-N 447.285 2.447 0 40 IEAB O=C(CN1C(=O)C(=O)c2cc(Br)ccc21)Nc1ccc(N2CCOCC2)cc1 12881176 OGECJXHAYMYCHE-UHFFFAOYSA-N 444.285 2.454 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)cc1 13670105 FECDAKVGSYLNMG-UHFFFAOYSA-N 428.963 2.485 0 40 IEAB C[C@@H]1Oc2ccccc2N(CC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)C1=O 14711224 DPTACMWNURKYNK-OXJNMPFZSA-N 427.476 2.129 0 40 IEAB O=C(Cc1ccc(F)cc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 15824944 ICZFWTZMWFEYJS-UHFFFAOYSA-N 435.438 2.380 0 40 IEAB CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c1 16830958 CCMFEINZFGSGOG-OAQYLSRUSA-N 431.558 2.177 0 40 IEAB O=C(CN1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1)Nc1ccccc1Cl 18148360 HZDKUIZLUSASMP-UHFFFAOYSA-N 428.876 2.031 0 40 IEAB COc1ccc(CN2CCc3nc([C@@H]4CCCN4C(=O)[C@@H]4CCOC4)nc(O)c3C2)cc1 19555514 MXFAMQBQRSOSMT-UTKZUKDTSA-N 438.528 2.449 0 40 IEAB Cc1nccn1C[C@H]1CCCN(C(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)C1 19708148 BYTPDJMJJQPDLG-GOSISDBHSA-N 445.589 2.278 0 40 IEAB CCOc1ccc([C@H](CNS(=O)(=O)c2ccc3c(c2)OCO3)N2CCOCC2)cc1 19819906 PHSBYCPJAQUOEV-IBGZPJMESA-N 434.514 2.166 0 40 IEAB CN1[C@@H](CCC(=O)NCc2ccco2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1cccc(Cl)c1 22922590 PMFDYQUBFBOXRP-DWLFOUALSA-N 444.963 2.403 0 40 IEAB biogenic,in-vitro Cc1cccc(S(=O)(=O)N2CCN(CCn3nc(-c4ccccc4)ccc3=O)CC2)c1 23141275 WQZQZJCSCPCRBF-UHFFFAOYSA-N 438.553 2.225 0 40 IEAB Cc1cc2nc(N3CCN(S(=O)(=O)N4CCCCCC4)CC3)c3ccccc3n2n1 26700183 RDLUJXPGQWAJBB-UHFFFAOYSA-N 428.562 2.434 0 40 IEAB Cc1nn(Cc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c(C)c1Br 27970065 UBEROZVMAKZALC-HNNXBMFYSA-N 426.336 2.228 0 40 IEAB Cc1nn(Cc2cccc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2)c(C)c1Br 27970582 FTMQUCGIKCAPNS-HNNXBMFYSA-N 426.336 2.228 0 40 IEAB O=C(COC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F)NC(=O)NC1CCCC1 32922159 KQKHOMOHXITEQL-UHFFFAOYSA-N 425.367 2.211 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccc(C(C)=O)cc3)CC2)NC(=O)N[C@H]1c1ccccc1 57414304 BVZRVXFBCRUCRH-QHCPKHFHSA-N 448.523 2.492 0 40 IEAB CS(=O)(=O)c1cnc(-c2ccncc2)nc1[C@H]1CCCN(C(=O)c2cncc(O)c2)C1 72335819 BGZPNIHFUZXQFZ-HNNXBMFYSA-N 439.497 2.063 0 40 IEAB CN1CCN(Cc2ccc(O)c(NC(=O)CCCNC(=O)NC3CCCCC3)c2)CC1 95406681 OQHNKIPQHHIPQR-UHFFFAOYSA-N 431.581 2.490 0 40 IEAB O=C(Nc1cccc(Cl)c1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2 96145999 KXUSIXIJSPRTEV-HBFSDRIKSA-N 448.932 2.324 0 40 IEAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224063304 YIARPTTYWYQIBT-GOSISDBHSA-N 431.558 2.049 0 40 IEAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)ccc1OCC(N)=O 409203168 VPJSLBLGVQXKHE-DZZSIBQASA-N 436.486 2.327 0 40 IEAB Cc1cc2c(cc1S(=O)(=O)NC(=O)c1ccn(C(F)F)n1)O[C@@H](C(C)C)C(=O)N2 585281687 PCAHAVDKTIVTJI-AWEZNQCLSA-N 428.417 2.061 0 40 IEAB O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NCC(F)(F)F 2633709 LYMVOKKMBOPDBQ-UHFFFAOYSA-N 430.404 2.000 0 40 IEAB CC[C@H](C)N(C(=O)COC(=O)COc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 6551772 ZDOPPSSOIJLPOH-ROUUACIJSA-N 425.547 2.348 0 40 IEAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O 8750549 ABECDHKZUGRKEW-IBGZPJMESA-N 435.889 2.149 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@@H](C)CO 8790711 FIMFOCLVGXBDNK-OYSHDIIGSA-N 433.574 2.063 0 40 IEAB biogenic CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3cccc(C)c3)c2n1 8947439 MTYOWJVPBXENFE-UHFFFAOYSA-N 426.546 2.052 0 40 IEAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O 9119447 OTAFXUFDCFNCHR-UHFFFAOYSA-N 431.367 2.178 0 40 IEAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 9216251 FUCRXDUEHIXNBT-WJQTUHTMSA-N 442.946 2.412 0 40 IEAB Cc1nnc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2C)s1 9263941 ORDZHROMQZXOMU-VIFPVBQESA-N 435.510 2.336 0 40 IEAB CCc1nnc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)s1 9263947 ADUCVYMXGQBWHQ-LLVKDONJSA-N 431.547 2.451 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)C2=O)cc1 10027044 CRXFKHSJFIUHJM-WSVYEEACSA-N 440.481 2.240 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3=O)CC2)c1C 10135162 KZXJVWLBRXKCRP-UHFFFAOYSA-N 449.617 2.450 0 40 IEAB CCc1cccc(OC[C@H](O)Cn2c(NC3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1 10385686 CUOHLJVXYCFARM-QGZVFWFLSA-N 441.532 2.170 0 40 IEAB O=C(CCc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 10750390 FPKYNSAVDSSKKQ-XNTDXEJSSA-N 428.510 2.493 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NCCCn2nc(-c3ccc(F)cc3)ccc2=O)c1 11738572 XDVDPCSVACNZTP-UHFFFAOYSA-N 447.488 2.435 0 40 IEAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)n(N)c2=O)cc1 12348464 PJVZPBBUEBXGDM-UHFFFAOYSA-N 425.514 2.381 0 40 IEAB CCCn1ccn(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1=S 12788919 UPPKMMCRJLNEKO-UHFFFAOYSA-N 438.575 2.164 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)c2oc3ccc(OC)cc3c2C)c(=O)[nH]c1=O 12888919 GHLOBHZOKYLCJP-UHFFFAOYSA-N 444.488 2.275 0 40 IEAB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NC2=NCCS2)c1 13117628 BUPNDDMZNSEJTC-HNNXBMFYSA-N 445.570 2.332 0 40 IEAB COc1ccc(OC)c(CN2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)c1 13138312 CQUPEZGTSUUOEG-UHFFFAOYSA-N 446.573 2.206 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccccn3)CC2)N[C@H]1c1cccc(Cl)c1 13640126 KOXGTAGMXWZOKV-MOPGFXCFSA-N 441.919 2.263 0 40 IEAB COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1I 13647265 MCCYPTIANVTVID-CHWSQXEVSA-N 425.288 2.224 0 40 IEAB CCOC(=O)c1ccc(N2CCn3c2nc2c3c(=O)n(CCC(C)C)c(=O)n2C)cc1 13816754 BGBUYRSJSHGMGC-UHFFFAOYSA-N 425.489 2.271 0 40 IEAB CNC(=O)c1ccc(NC(=O)c2ccc(C)c(NC(=O)CSc3nncn3C)c2)cc1 14138897 JKDQMKUPQJKHNY-UHFFFAOYSA-N 438.513 2.466 0 40 IEAB COc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Cl 16226870 ZJVFSLCEROGHNA-UHFFFAOYSA-N 440.905 2.387 0 40 IEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 17303055 LHWWHIZABIBIJI-XMMPIXPASA-N 447.495 2.280 0 40 IEAB C[C@@H](CN1CCOCC1)C(=O)N1CCC(Cc2nc(-c3ccsc3)cc(=O)[nH]2)CC1 19456224 NGESXXMWTNVSRW-INIZCTEOSA-N 430.574 2.248 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)N3[C@@H](C)CCC[C@H]3C)CC1)O2 19496046 BTQSDYHYQXYZMK-SRGWNRLKSA-N 443.544 2.358 0 40 IEAB C[C@H]1CCc2c(sc3ncn(C4CCN(C(=O)[C@@H]5CC(=O)N(C)C5)CC4)c(=O)c23)C1 19497200 VZTZOMRONMZPKJ-UONOGXRCSA-N 428.558 2.225 0 40 IEAB CN(C)c1ncc(-c2cnn(C)c2)c([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 19693751 RGMRTPBJQADJOL-INIZCTEOSA-N 434.500 2.344 0 40 IEAB CNc1cc(C(=O)N(C)Cc2ccc([C@H]3CN(C(C)=O)C[C@@H]3C(=O)N(C)C)cc2)ccn1 19698796 OBLCTYDNBQWKDQ-RTWAWAEBSA-N 437.544 2.046 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)Cc3ccccc3OC)C1)C2=O 19700031 QYGQAKCJLDSAGS-LJQANCHMSA-N 442.560 2.025 0 40 IEAB O=C(CCCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)NCc1ccccn1 20731962 HHULAVMRODQGPL-UHFFFAOYSA-N 433.512 2.334 0 40 IEAB CCOc1ccc(OCCNC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 23994928 AKVJQPQXSPJZQN-QHCPKHFHSA-N 441.484 2.056 0 40 IEAB CCOC(=O)N1CCN([C@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)CC1 25436490 FYKHALZNZVSANL-SFTDATJTSA-N 429.542 2.405 0 40 IEAB Cc1nn(Cc2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2)c(C)c1Br 27970579 FTMQUCGIKCAPNS-OAHLLOKOSA-N 426.336 2.228 0 40 IEAB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1Cc2ccccc2C[C@H]1C(N)=O 32808863 KOPMAHUXQCKFMA-INIZCTEOSA-N 446.433 2.131 0 40 IEAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)NCCc3c(C)nn(C)c3C)n2)c1 61719185 AOSBEPCPFUEMQX-UHFFFAOYSA-N 431.880 2.423 0 40 IEAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C[C@@H](C)O1 72277206 ISOVGGMQTWAYRT-NUJGCVRESA-N 443.997 2.109 0 40 IEAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2 72326361 YBGFMKJKBNBSMC-GAKIBJFNSA-N 449.555 2.472 0 40 IEAB C[C@@H](C(=O)NCc1cccc(-c2nn(C)cc2-c2ccncc2)c1)N1C(=O)NC(C)(C)C1=O 72344986 DYAQYBLCFDDQHJ-HNNXBMFYSA-N 446.511 2.484 0 40 IEAB CN(C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1 77200647 JLMIIDAYXYPNTD-FQEVSTJZSA-N 437.587 2.198 0 40 IEAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1cccc(Cl)c1)C(=O)OC 95482736 UIDPEWTZKKKZDR-CRAIPNDOSA-N 434.880 2.215 0 40 IEAB O=C(NCc1cccnc1)C1=NO[C@]2(CCCN(C(=O)NCc3cccc(F)c3)C2)C1 96225077 ZYEZVLQSLLGNCE-JOCHJYFZSA-N 425.464 2.358 0 40 IEAB CCCS(=O)(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCN(C)CC1)c1ccccc12 96242259 GPRNVDBLDWQSTK-IBGZPJMESA-N 433.618 2.411 0 40 IEAB O=S(=O)(O)c1ccc2c(c1)N=c1cc3c(cc1N2)=Nc1cc(S(=O)(=O)O)ccc1N3 100029693 VZRLPMQMLUKSEV-UHFFFAOYSA-N 444.450 2.197 0 40 IEAB in-vitro CC(C)(C)NC(=O)[C@H]1N(C2CC2)C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@]12O3 100431072 IBMQHRGDYFQPOV-DANUBOESSA-N 429.561 2.053 0 40 IEAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)N3CCCCC3)CC2)cc1 101464136 VYLATNBRXZWLTB-KDURUIRLSA-N 435.590 2.208 0 40 IEAB Cn1nc(-c2cccs2)cc1C(=O)NCCn1nc(-c2cccnc2)n(C2CC2)c1=O 206638526 VEWQTSVNNNHHIP-UHFFFAOYSA-N 435.513 2.334 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCCN1CCCC1 222728380 QMMZKVDYLCVPCS-UHFFFAOYSA-N 437.606 2.405 0 40 IEAB CN(c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1)S(C)(=O)=O 225567201 XXVZMTJESWDIQZ-UHFFFAOYSA-N 437.543 2.119 0 40 IEAB O=C(CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1)NCCc1nc2ccccc2[nH]1 257236187 HBCUFZONHBYDAW-UQBPGWFLSA-N 431.540 2.360 0 40 IEAB CCS(=O)(=O)N1CCC(CNC(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 541656931 ZAGVUKQPEKHSIU-LBPRGKRZSA-N 438.516 2.344 0 40 IEAB CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(C)c(C)c1 7425761 HKXWZSDFGIOKRP-MRXNPFEDSA-N 429.521 2.082 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCCn2c(=O)oc3ccccc32)C1=O 8735937 WHLWLJLWOUREJV-HSZRJFAPSA-N 436.468 2.349 0 40 IEAB CC1(C)Cc2cccc(OCC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2O1 9127857 AEGCLYMKDSTISV-UHFFFAOYSA-N 446.525 2.439 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCOCC1 9227516 AELXRUVWOFDSOO-UHFFFAOYSA-N 432.542 2.096 0 40 IEAB CCN(C(=O)CCN1C(=O)S/C(=C\c2cccs2)C1=O)[C@@H]1CCS(=O)(=O)C1 9253107 RNMUNJXEYMRWFR-XTCQQWIJSA-N 428.557 2.210 0 40 IEAB CCCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1)c1c(N)n(CCC)c(=O)[nH]c1=O 9956513 FWHLCEWPVYXECB-MRXNPFEDSA-N 441.532 2.023 0 40 IEAB Cn1c(=O)c2c(ncn2CCCC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)n(C)c1=O 10989486 NNQCBOPWYNJPMB-UHFFFAOYSA-N 446.511 2.011 0 40 IEAB C[C@H](C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2ccccc2N1)n1nnc2ccccc21 12085500 FHYOSYKZIZRRKH-GYCJOSAFSA-N 446.511 2.326 0 40 IEAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(CC)c2nc(-c3ccsc3)nc(C(N)=O)c21 12242039 CAVCHESLJSFTHT-CQSZACIVSA-N 442.545 2.231 0 40 IEAB CN1C(=O)S[C@@H](CC(=O)N2CCC(c3nc4ccccc4cc3C(N)=O)CC2)C1=O 12254615 AQELQGDLSSPGAN-INIZCTEOSA-N 426.498 2.124 0 40 IEAB CCn1c(CCC(=O)Nc2ccc3c(c2)OCCCO3)nc2cc(S(N)(=O)=O)ccc21 12548139 BJIPTUOBKCBYDY-UHFFFAOYSA-N 444.513 2.436 0 40 IEAB CC(C)[C@@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(C)C 12885936 SKSIOCMTQNDHMS-FOUBCARRSA-N 447.601 2.309 0 40 IEAB biogenic O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 12899969 WRUYDQZAHINRCD-FQEVSTJZSA-N 446.463 2.015 0 40 IEAB biogenic COc1cc(NC(=O)CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc(OC)c1 13031349 SVKDEWXZNPXFSK-UHFFFAOYSA-N 447.557 2.266 0 40 IEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N[C@@H]3CCOC(C)(C)C3)cc2)C1 13084509 UPOORBCRPUOJBY-HZPDHXFCSA-N 430.592 2.343 0 40 IEAB C[C@H]1Oc2ccc(NC(=O)c3cccc(S(=O)(=O)NC[C@@H]4CCCO4)c3)cc2NC1=O 13987111 YPCODUKWXZMUGX-CJNGLKHVSA-N 445.497 2.116 0 40 IEAB CS(=O)(=O)c1ccc(NC(=O)CN2C(=O)N[C@@]3(CCCCc4ccccc43)C2=O)cc1 14236307 MAGFMWAZQCDGIE-JOCHJYFZSA-N 441.509 2.202 0 40 IEAB Cc1cccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c12 19236465 DMJWZGPLIZMJFQ-HSZRJFAPSA-N 443.555 2.403 0 40 IEAB Cn1nc([C@@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2)c2nccnc21 19289340 LRUVDBNSTASDTR-MRXNPFEDSA-N 427.530 2.323 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)c3cc4c(C)cccc4[nH]3)C1)C2=O 19700789 PIJYSJDXJMQSRD-KRWDZBQOSA-N 437.544 2.487 0 40 IEAB Cc1ncc(C(=O)NC2CCCCC2)c([C@H]2CCCN2S(=O)(=O)c2cnn(C)c2)n1 19766743 WTJRLZHSIIJDSL-GOSISDBHSA-N 432.550 2.107 0 40 IEAB COc1ccc(CN2C(=O)[C@@H]3[C@@H](C(C)C)N[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 20533649 GWCLICKBCFVVME-PWSZPPJVSA-N 437.471 2.411 0 40 IEAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1 23030575 YYDVWKUVSQCVTR-IBGZPJMESA-N 433.505 2.384 0 40 IEAB Cn1ccnc1SCC(=O)Nc1ccccc1C(=O)N1CCN(C[C@@H]2CCCO2)CC1 23805331 SZSXNXNJSIMPKL-KRWDZBQOSA-N 443.573 2.088 0 40 IEAB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)CCNC(=O)c2ccco2)CC1 32882054 WNNSFQHEIVOFQY-LJQANCHMSA-N 433.892 2.111 0 40 IEAB COCc1nn2c(nnc3c(=O)n(NC(=O)c4ccncc4)ccc32)c1-c1ccc(F)cc1 40392252 PENBLSFFKVQHPE-UHFFFAOYSA-N 445.414 2.171 0 40 IEAB Cc1noc(CCn2c(=O)c3ccccc3n(CC(=O)Nc3ccc(C)c(C)c3)c2=O)n1 57354822 NMBWQYUCPNGTNE-UHFFFAOYSA-N 433.468 2.353 0 40 IEAB Cc1nn(CCC(=O)N2CCC([C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c(C)c1C 72338845 YUTSBQRJORNXRW-NRFANRHFSA-N 431.562 2.167 0 40 IEAB O=S1(=O)c2ccccc2[C@]2(CCN(S(=O)(=O)C3CC3)C2)N1Cc1ccc(F)cc1 96143149 UCXDUYNPFRXMBG-HXUWFJFHSA-N 436.530 2.423 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 219975568 PUJRYYQSYOIXIH-UHFFFAOYSA-N 445.541 2.490 0 40 IEAB COC(=O)c1ccc(CS(=O)(=O)N(C)Cc2nc(-c3ccc(OC)cc3)no2)cc1 223658479 HFEBNPYPGGAWFY-UHFFFAOYSA-N 431.470 2.494 0 40 IEAB Cc1ccccc1CC(=O)N1C[C@H]2Cn3c(nnc3C(=O)NCc3ccccc3)C[C@H]2C1 306131994 KVFCWBRXVYQXTE-SFTDATJTSA-N 429.524 2.390 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCN(CC)CC3)cc2)cc1 409389073 GFMTZLUEHKFULU-UHFFFAOYSA-N 447.557 2.429 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1 1775963788 CNZPKGQALPIVLZ-HNNXBMFYSA-N 431.474 2.017 0 40 IEAB biogenic,in-vitro O=C(Cn1cnc(C2CC2)cc1=O)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)C[C@@H]21 2087144472 XPYZNHOIBMKBDJ-YOEHRIQHSA-N 433.434 2.272 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1C[C@H]1CCCO1 6300147 FNNLUBMIBKPJNC-MRXNPFEDSA-N 425.464 2.133 0 40 IEAB COCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 8815962 JRDNGOJTTGXBJO-HNNXBMFYSA-N 449.504 2.132 0 40 IEAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCc2ccccn2)C(=O)[C@]31C 8918608 OUWOGMXJWCPEKY-BSEYFRJRSA-N 447.495 2.312 0 40 IEAB biogenic COCCCNC(=O)CCc1nnc2n(Cc3ccc(C)cc3)c(=O)c3ccccc3n12 9831409 UWVNYJOESAUSNM-UHFFFAOYSA-N 433.512 2.486 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 12425315 VFPATMIDXSKOIG-SUMWQHHRSA-N 434.514 2.223 0 40 IEAB O=S1(=O)C[C@H](NCCc2ccccc2F)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)C1 13371952 QTAGXJYQZJMEDN-ROUUACIJSA-N 431.938 2.251 0 40 IEAB Nc1nc2nn(-c3cccc(C(=O)NCc4cc(Cl)cc(Cl)c4)c3)nc2c(=O)[nH]1 13559919 JMQTXEWNXSPEKX-UHFFFAOYSA-N 430.255 2.323 0 40 IEAB in-vivo C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCCN3CCCC[C@@H]3C)c2)C[C@@H](C)O1 14248075 GDKMONJKOQNNQL-GBESFXJTSA-N 437.606 2.479 0 40 IEAB COCCNC(=O)c1nn(CCC(C)C)c2c1CN(C(=O)c1cn3ccccc3n1)CC2 14743163 PNJJYYOURPEKCE-UHFFFAOYSA-N 438.532 2.152 0 40 IEAB NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(Br)c1 16448815 MBKJVJRIQLXDHF-UHFFFAOYSA-N 442.316 2.446 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)O)CC2)cc1C 17099018 FZACPAHLSHTZRZ-WXDAQCLHSA-N 434.558 2.273 0 40 IEAB CCS(=O)(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 18271334 RQOSPYKHBWRVGZ-HXUWFJFHSA-N 445.516 2.073 0 40 IEAB CCc1noc(C)c1C(=O)N[C@H](Cc1cc(=O)[nH]c(N2CCOCC2)n1)c1ccccc1 19521273 SLLQENLXXXCFIH-LJQANCHMSA-N 437.500 2.179 0 40 IEAB Cc1cccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3c2CCC3)c1C 21264388 SOIVFCLWUYVYEI-UHFFFAOYSA-N 442.585 2.412 0 40 IEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc(C(=O)NC2CC2)c1 22061214 YMCPZOPUMAIJAG-IBGZPJMESA-N 427.457 2.108 0 40 IEAB COc1cc(CNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc(OC)c1OC 22328234 WMYCDDSREPCBTM-UHFFFAOYSA-N 436.530 2.412 0 40 IEAB COc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1S(=O)(=O)NC1CC1 22682744 QEAKKMRFSAIJJS-GOSISDBHSA-N 435.521 2.308 0 40 IEAB COc1ccc(C(=O)Nc2c3c(nn2CC(=O)NC[C@@H]2CCCO2)CSC3)c(OC)c1 23139212 OOZQBDSEUVAXOG-AWEZNQCLSA-N 446.529 2.195 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-c4ccco4)ccc3=O)n(C)n2)c1 38488961 VBVIYJKEQYPMJG-UHFFFAOYSA-N 449.467 2.351 0 40 IEAB Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3c(S(C)(=O)=O)cnc4ncnn34)C2)cc1 72334971 RGQIVDWWBYSFSU-RDJZCZTQSA-N 427.530 2.346 0 40 IEAB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 223777240 TVIXMMNPFVQEIA-UHFFFAOYSA-N 427.891 2.272 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1 224429119 HKPFJFMLOOQBBJ-UHFFFAOYSA-N 429.542 2.168 0 40 IEAB CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cccc(OC)c1)S(C)(=O)=O 225275290 KTHUCKANWGFXKJ-MSOLQXFVSA-N 434.514 2.196 0 40 IEAB COc1cc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 226001629 ODUKYBPRYSUHPF-UHFFFAOYSA-N 436.530 2.300 0 40 IEAB COc1cc2c(cc1CN1CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C1)OCCO2 257234547 GUBSVTATEFSDAV-QFIPXVFZSA-N 435.484 2.474 0 40 IEAB CC(=O)c1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408653686 FKLFOBRAOBBFRA-KHDMTIDOSA-N 438.480 2.203 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408670936 XSSAVLYPMCNUBH-YJKZWKBDSA-N 428.485 2.233 0 40 IEAB COc1ccc(C(=O)N2C[C@@H]3COCCN3C3(CN(Cc4ccccc4F)C3)C2)cc1 604381050 CROFZFMGIQOJCB-HXUWFJFHSA-N 425.504 2.246 0 40 IEAB biogenic,in-vitro CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[C@H](F)C2)CCO1 1541080135 ONEKCCXONGNGDY-YZGWKJHDSA-N 433.503 2.488 0 40 IEAB CC(C)c1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 3387156 OBGIXRJQYUGZAN-UHFFFAOYSA-N 430.526 2.500 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)ccc1C 7265027 XWWRLAUMGLDZMC-DNVCBOLYSA-N 425.576 2.418 0 40 IEAB Cc1ccc(Cn2c(NCc3ccc4c(c3)OCO4)nc3c2c(=O)n(C)c(=O)n3C)cc1 8775651 OISSZYYBNWENRO-UHFFFAOYSA-N 433.468 2.131 0 40 IEAB CCCc1nnc2c3ccccc3c(-c3ccc(C)c(S(=O)(=O)NCCO)c3)nn12 9448531 XOCXZZLNYMYJRB-UHFFFAOYSA-N 425.514 2.476 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNC(=O)c2ccccc2F)c1 9507544 JWRVKESIGFFEFG-UHFFFAOYSA-N 437.493 2.233 0 40 IEAB Cc1ccccc1Nc1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)s1 9712571 DVPHCKZLCJPXIJ-UHFFFAOYSA-N 430.515 2.332 0 40 IEAB O=C(Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2cccnc21)Nc1ccccc1F 9831019 WYHLPVGAZIQYKH-UHFFFAOYSA-N 448.410 2.113 0 40 IEAB CCOC(=O)N1CCC(NC(=O)c2cc(=O)c(OCc3cccc(OC)c3)cn2C)CC1 12167435 WORKSVULOULYDB-UHFFFAOYSA-N 443.500 2.324 0 40 IEAB Cc1cccc(N(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)Cc2ccccc2)c1 12780138 VXHCCSUDLFQKSB-QHCPKHFHSA-N 441.597 2.333 0 40 IEAB COc1ccccc1N(CC(=O)NC[C@H]1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1 13505863 SOABIORWRZNPCA-MRXNPFEDSA-N 444.488 2.039 0 40 IEAB COc1ccc(N(C[C@@H](O)CNCCCC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1 17043763 ZGGILIFPFVIWPE-SFHVURJKSA-N 436.530 2.014 0 40 IEAB COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)N2CCOCC2)cc1 19220920 ZKNPXNHKYXWLBF-JOCHJYFZSA-N 446.511 2.302 0 40 IEAB CCN(CC)c1ncc2c(=O)[nH]c(C3CCN(C(=O)c4cn5cccnc5n4)CC3)cc2n1 19526541 DYSBCGNUDTZOJZ-UHFFFAOYSA-N 446.515 2.227 0 40 IEAB Cc1noc(C)c1CC(=O)N1CCC(c2ccc(C(=O)N3CCN(C)CC3)cn2)CC1 19708281 YUIPWPQRVKLBLV-UHFFFAOYSA-N 425.533 2.023 0 40 IEAB COCCNC(=O)c1cc([C@@H]2CN(C(=O)Cc3ccccn3)CCO2)nc2ccccc12 19754090 FJMFXQKNWAOPDU-QFIPXVFZSA-N 434.496 2.149 0 40 IEAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCCCN1CCOCC1 19911472 IBLCRYKDYQXDRS-UHFFFAOYSA-N 438.553 2.316 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 21233538 XDHOVULHXBNXHM-NSHDSACASA-N 426.878 2.488 0 40 IEAB COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(Cl)cc2)N2CCN(C)CC2)cc1 22795384 VTPORCONBJUXLM-HXUWFJFHSA-N 430.936 2.392 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc3c2N1CCC3 22908555 XNDHLORHNXKBSU-UHFFFAOYSA-N 425.554 2.419 0 40 IEAB O=S(=O)(c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc1)N1CCOCC1 23866655 MHSVVWNMVWDWBK-GOSISDBHSA-N 431.514 2.215 0 40 IEAB O=C1COc2ccc(NC(=O)c3cc(-c4ccco4)n([C@@H]4CCS(=O)(=O)C4)n3)cc2N1 36708435 XTSWDDMGCVHYGJ-CYBMUJFWSA-N 442.453 2.086 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 37185746 IBACISKUXZXGMT-FQEVSTJZSA-N 446.573 2.352 0 40 IEAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2ccc(OC)c(Br)c2)C1=O 39565437 VFCBZRHQEROBLZ-UHFFFAOYSA-N 441.278 2.294 0 40 IEAB COc1nn(C)cc1C(=O)N1CCC[C@@H](C(=O)NCc2ccccc2OC(F)(F)F)C1 49030596 USPGSVPHOXRETL-CQSZACIVSA-N 440.422 2.496 0 40 IEAB COc1cccc(CNC(=O)c2nsc(C(=O)NCc3ccc4c(c3)OCO4)c2N)c1 65118369 OATFIGAJWCRIQE-UHFFFAOYSA-N 440.481 2.323 0 40 IEAB CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(CN4C(=O)CSC4=O)cc3)ccc2c1=O 69948274 BOFJOVZHQJFMHV-UHFFFAOYSA-N 438.465 2.157 0 40 IEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(c2cc(-n3cccn3)ncn2)C1 70656014 LPQHQXCYRPYZLB-SFHVURJKSA-N 433.516 2.354 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 89643132 FGCFOBOEVXFZHN-IPMKNSEASA-N 437.606 2.085 0 40 IEAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 95350629 PGSAADJPEDFCDA-VWLOTQADSA-N 448.523 2.274 0 40 IEAB O=C(NCCn1nc(-n2cncn2)ccc1=O)c1ccc2noc(-c3ccccc3)c2c1 96097951 OHWOJOTXAVECSD-UHFFFAOYSA-N 427.424 2.062 0 40 IEAB COc1cccc(Cn2nccc2NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1OC 101426153 RCTRWPCNTYNHRL-IRXDYDNUSA-N 440.500 2.452 0 40 IEAB CS(=O)(=O)N(CC(=O)NCC1(c2ccccc2)CCOCC1)Cc1ccccc1F 222723236 DLZBAVBJPXYMJN-UHFFFAOYSA-N 434.533 2.452 0 40 IEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)s1 222855999 RJBSJIUJVCBPLO-UHFFFAOYSA-N 439.563 2.406 0 40 IEAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN2CCOCC2)c1C 223137686 FLOSKVRQKIHUKZ-FCHUYYIVSA-N 443.617 2.451 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223583134 STEHUQBSFNTHFR-IBGZPJMESA-N 445.585 2.477 0 40 IEAB CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 223708721 OCSAOKVLOCTCRF-UHFFFAOYSA-N 438.571 2.042 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1OC 223904329 KHTYABZAWSYUPZ-UHFFFAOYSA-N 436.877 2.237 0 40 IEAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 223988560 AHUXRJDKOKYHSS-HUUCEWRRSA-N 434.514 2.498 0 40 IEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)NCCCN1CCOCC1)[C@]1(C2)NC(=O)c2ccccc2O1 253596384 QRNRQACHRGPSAP-PZVOEZMOSA-N 427.545 2.170 0 40 IEAB O=C(N1CC2(C1)[C@@H](COc1ncccn1)CCS2(=O)=O)C12CC3CC(CC(C3)C1)C2 306127861 GJJHQZBWQYAOEL-IGDKPHCXSA-N 431.558 2.088 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)C2)cc1 408562046 XGWHXCWWEFTGOQ-QGZVFWFLSA-N 448.541 2.430 0 40 IEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 408603897 GJSXLBIJSKOHDI-CYBMUJFWSA-N 436.486 2.284 0 40 IEAB Cc1noc(COCC(=O)N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)n1 501182884 UPJZWHZSXHKBCK-SFHVURJKSA-N 429.452 2.436 0 40 IEAB COc1ccc(NC(C)=O)cc1S(=O)(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 575426111 MURZKEJVLNOKCJ-KRWDZBQOSA-N 438.527 2.036 0 40 IEAB COC(=O)[C@H](CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O)Cc1cccc(C)c1 609310554 FIWGZTIFYMMOKW-RXVVDRJESA-N 436.512 2.204 0 40 IEAB COc1cc2[nH]c3c(N4CCC(C(N)=O)(N5CCCCC5)CC4)ncnc3c2cc1OC 2425159 SHDJGRJRRYNBLI-UHFFFAOYSA-N 438.532 2.439 0 40 IEAB O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2)CC1 4034700 XCLJMBIULBLFLG-UHFFFAOYSA-N 432.459 2.070 0 40 IEAB COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCCN(C)C)c(=O)[nH]c2c1 6198527 AKFLVWQIGYPFFY-IBGZPJMESA-N 432.590 2.344 0 40 IEAB CCc1nnc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccccc3)n2C)s1 9263948 ADUCVYMXGQBWHQ-NSHDSACASA-N 431.547 2.451 0 40 IEAB COc1ccccc1NC(=O)CSc1nc(N)c(NC(=O)c2ccc(F)cc2)c(=O)[nH]1 9518055 FYKJVYZHTJJPHV-UHFFFAOYSA-N 443.460 2.483 0 40 IEAB O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)O[C@@H]1CCOC1=O 9562341 FKOWLDIHPBEXFZ-RBUKOAKNSA-N 433.457 2.363 0 40 IEAB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(OC)c(OC)c2)c1 9892725 ATTJYCMLDXPIKC-UHFFFAOYSA-N 441.484 2.411 0 40 IEAB COc1ccc2c(c1)O[C@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)[C@@]2(O)c1ccccc1 12872154 LMUGJHPMSJBXEO-RCZVLFRGSA-N 448.475 2.270 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)Nc1cc(F)cc(F)c1 12997625 WEQHTSKHGUXBQU-UHFFFAOYSA-N 435.496 2.399 0 40 IEAB CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 13555489 SFIQSYLELKEDNU-CYBMUJFWSA-N 430.482 2.087 0 40 IEAB O=C(Cn1c(=O)n(CCC(=O)N2CCCCC2)c(=O)c2sccc21)Nc1ccccc1 13592758 JRQYMKFDHKAMRC-UHFFFAOYSA-N 440.525 2.266 0 40 IEAB CCN1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CC1 14155195 XNMRBUINMJHLGI-UHFFFAOYSA-N 447.557 2.307 0 40 IEAB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(C)c5)CC4)ncnc32)cc1 15884035 GYLKZGCOUJJEQM-UHFFFAOYSA-N 429.484 2.490 0 40 IEAB CC(=O)Nc1ccc2cnn(CC3(O)CCN(C(=O)c4cc(C5CC5)nn4C)CC3)c2c1 19022800 TWDFTIVFBXSWBM-UHFFFAOYSA-N 436.516 2.273 0 40 IEAB O=C(NCCO)c1sc2ncccc2c1[C@@H]1CN(C(=O)Cc2cccc(F)c2)CCO1 19702702 UAPRVECVTHXEQN-KRWDZBQOSA-N 443.500 2.300 0 40 IEAB COc1ccccc1CN1C(=O)Cc2c(C)nc([C@@H]3CCCN(S(C)(=O)=O)C3)nc21 19744571 IAHSTUVFIYCCJG-MRXNPFEDSA-N 430.530 2.022 0 40 IEAB Cc1cc(C(=O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1Cc1ccccc1 22785300 BXMHQHUPADPOEK-NRFANRHFSA-N 429.586 2.141 0 40 IEAB COc1ccc(CSc2nnc(Nc3ccc(C(N)=O)cc3)c(=O)n2C)cc1OC 28538496 XEPQLMQBTGMKAW-UHFFFAOYSA-N 427.486 2.327 0 40 IEAB O=c1cc(CN2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)nc2sccn12 32860468 PBWRDGPSTQGMHX-UHFFFAOYSA-N 444.524 2.207 0 40 IEAB CCN1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(OC)c(OC)c3)cc2)CC1 32932857 WVAQGYGZGOJZAA-UHFFFAOYSA-N 433.574 2.320 0 40 IEAB Cc1nc(NCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(N2CCOCC2)n1 38488311 FACIPQYPNPVDIY-UHFFFAOYSA-N 446.360 2.319 0 40 IEAB CS(=O)(=O)NC[C@@H]1CCCCN1CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 40072432 WGSSOLHVUMHORA-PXNSSMCTSA-N 439.578 2.497 0 40 IEAB COc1cccc(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 44917126 IFOAWNFZYPEAQI-UHFFFAOYSA-N 449.504 2.086 0 40 IEAB O=C(CSc1cc(-n2ccc(C(=O)NC3CC3)n2)ncn1)NCc1ccc(F)cc1 57520251 ITJQFBYVVLSUFV-UHFFFAOYSA-N 426.477 2.102 0 40 IEAB COc1ccc(CN2CC(=O)N(c3ccc(C)cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 57747623 NPOZFPRZUGPKKR-RBUKOAKNSA-N 430.526 2.027 0 40 IEAB O=C(NCCNS(=O)(=O)Cc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 69531843 KIALMTYQJJOYBA-UHFFFAOYSA-N 434.909 2.162 0 40 IEAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 78870262 PCDWNCKINLERJN-ROUUACIJSA-N 430.592 2.143 0 40 IEAB NS(=O)(=O)c1cccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1 89840377 BCADTWYAAGOUDL-UHFFFAOYSA-N 434.477 2.345 0 40 IEAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccccc1Cc1ccccc1 95385648 WOQMQAJWEVWPDS-NRFANRHFSA-N 427.570 2.021 0 40 IEAB O=C(NCCCNC(=O)[C@H]1C[C@H]2CC[C@H]1C[C@@]21NC(=O)c2ccccc2N1)c1ccccn1 100118026 JSXINCRIRSHWGO-FJRUVBMXSA-N 447.539 2.306 0 40 IEAB CC[C@]1(C)NC(=O)N(NC(=O)CN2C[C@@H](C)Oc3cc(C)c(Br)cc32)C1=O 107151535 DJTMULIZBKBPEN-ZMZPIMSZSA-N 439.310 2.097 0 40 IEAB CCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 113935583 BDMMIVWOZIBXPA-UHFFFAOYSA-N 438.502 2.052 0 40 IEAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(C)=O)cc4)CC3)C2=O)cc1 215725519 PPGYBGMCMBBOTE-NRFANRHFSA-N 435.480 2.130 0 40 IEAB COc1cccc(OCCNC(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)c1 224691353 PKINTEVYVMHUQB-UHFFFAOYSA-N 436.530 2.445 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(OC)c(OC)c1 225160964 DUEOQXVFXNHMTB-UHFFFAOYSA-N 436.530 2.212 0 40 IEAB COc1ccc(-c2nc3sc(=Cc4cccc(OC)c4OC)c(=O)n3n2)cc1OC 254874730 PJTFKFHBQXMKAD-UHFFFAOYSA-N 425.466 2.400 0 40 IEAB CN(C[C@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1 257222360 DTADCESDBVPIBO-LJQANCHMSA-N 434.422 2.475 0 40 IEAB Cn1nc([C@H]2CN(C(=O)CN3CCCC3=O)CCO2)cc1CCOc1ccccc1Cl 257223038 DVQIZOGQZBSWKR-HXUWFJFHSA-N 446.935 2.217 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)c2)cn1 257299585 RQRCAITWHPDCFN-OAQYLSRUSA-N 446.511 2.237 0 40 IEAB Cc1nc(CN2C[C@@]3(CCN(c4ncccn4)C3)Oc3ccccc3S2(=O)=O)cs1 306142896 XNKVVILETDAWQK-FQEVSTJZSA-N 443.554 2.474 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N3CC(n4nc(-c5ccccc5)ccc4=O)C3)ccc2N1 1775972490 IDAMGODZHFWOEF-UHFFFAOYSA-N 436.493 2.041 0 40 IEAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)Nc1ccc2ccccc2c1 3443682 VUSRVIPRYLNANJ-CQSZACIVSA-N 437.477 2.449 0 40 IEAB CCCCc1nn2c(=O)cc(COC(=O)CNC(=O)COc3ccc(C)cc3)nc2s1 8605418 YRZBXHRNQJJUSF-UHFFFAOYSA-N 444.513 2.040 0 40 IEAB Nc1c(C(=O)CSc2nnc(Nc3ccc(F)cc3)s2)c(=O)[nH]c(=O)n1C1CC1 8894271 FJXRIZHBXMZISB-UHFFFAOYSA-N 434.478 2.163 0 40 IEAB CC[C@H](C)NC(=O)CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O 8930272 JYKOMAKIBPSJLN-HNNXBMFYSA-N 425.485 2.414 0 40 IEAB CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1 9497737 WNINUVJXICCPMZ-UHFFFAOYSA-N 447.542 2.255 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc1OC 9560701 LSZYVQFKQNKBRF-UHFFFAOYSA-N 443.481 2.218 0 40 IEAB CS(=O)(=O)N1CCCc2cc(C(=O)CN3C(=O)NC4(CCCCCC4)C3=O)ccc21 9861459 GXCLMJGXLCNTPW-UHFFFAOYSA-N 433.530 2.226 0 40 IEAB O=C(CCc1ccc2c(c1)OCCO2)N1CCC(NS(=O)(=O)c2cccs2)CC1 11452144 ZMGKRZKHYQBXJO-UHFFFAOYSA-N 436.555 2.421 0 40 IEAB COc1ccc2c(c1)O[C@@H](C(=O)N1CCN(C(=O)c3ccco3)CC1)[C@]2(O)c1ccccc1 12872163 LMUGJHPMSJBXEO-DHLKQENFSA-N 448.475 2.270 0 40 IEAB CCOC(=O)c1ccsc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 12911294 YVQKPOKJGASPMA-FQEVSTJZSA-N 431.470 2.339 0 40 IEAB CN(c1ccc2sc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2c1)S(C)(=O)=O 13609798 ZSXDUQCHDDOFRU-UHFFFAOYSA-N 439.540 2.197 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)CSc1nnnn1-c1ccc(O)cc1)CC2 14068085 AWLUVGJCERCSRC-UHFFFAOYSA-N 427.486 2.062 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2cc(Cl)c3c(c2)OCO3)s1 14199515 RFWKSJLZQTWATD-UHFFFAOYSA-N 445.902 2.262 0 40 IEAB O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1)NCCN1CCOCC1 15673654 CBYSOGZECVBHQN-SFTDATJTSA-N 432.609 2.404 0 40 IEAB biogenic,in-vitro COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 18157098 QKZKQITVNQDCKY-UHFFFAOYSA-N 434.514 2.355 0 40 IEAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1 18838707 OZESTDXQPZKEKT-MRXNPFEDSA-N 446.525 2.278 0 40 IEAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)c2nc[nH]n2)CCO1 19580854 BAMIDZPJBNBKBH-NRFANRHFSA-N 425.514 2.075 0 40 IEAB CCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCc3ccccc3F)C1)C2=O 19699826 YLEZBLUNJWFVPA-GOSISDBHSA-N 430.524 2.156 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)N(C)C)cc1 20244421 WOHVZMJYCUQCRB-OAHLLOKOSA-N 439.509 2.031 0 40 IEAB Cc1cc(=O)c(C(=O)NCc2ccccc2CN2CCOCC2)nn1-c1ccccc1F 22225983 RMKWMSQAUOOBHZ-UHFFFAOYSA-N 436.487 2.442 0 40 IEAB CN1CCN(CCCNC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)CC1 22935101 XLHXZBVRRBXZRA-UHFFFAOYSA-N 444.601 2.020 0 40 IEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1CN1CCOCC1 23956117 HYGRRGCWSWURDR-DEOSSOPVSA-N 434.540 2.364 0 40 IEAB CC(C)CN(C(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)[C@H]1CCS(=O)(=O)C1 40287731 KDYMFEFPIFEFLV-KRWDZBQOSA-N 437.949 2.235 0 40 IEAB CN1CCN([C@@H](CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c2cccs2)CC1 48302936 PGANBLVUIICQOW-MOPGFXCFSA-N 433.622 2.081 0 40 IEAB O=C(Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21)NC[C@@H]1CCCO1 57472854 QOXTUVBVRGUUKN-KRWDZBQOSA-N 427.888 2.160 0 40 IEAB CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cnn(Cc2ccccc2)c1 78623907 LVXPEERGGJQRMD-UHFFFAOYSA-N 441.532 2.083 0 40 IEAB CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(Br)cc1F 78808915 XZLBAHHWHGVZDB-UHFFFAOYSA-N 445.310 2.131 0 40 IEAB COCCNC(=O)c1ccc2c(c1)[C@H](c1ncn(C(C)C)n1)CN2C(=O)c1ccccn1 96156381 BYPAEKVNZAMDPP-GOSISDBHSA-N 434.500 2.423 0 40 IEAB COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1C 222835757 IEOUYOZVNQCEDQ-UHFFFAOYSA-N 431.558 2.429 0 40 IEAB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 223473222 HGYYLCHBUSCIKV-NRFANRHFSA-N 445.585 2.357 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223654503 NSZQOTYMMMEQBK-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB O=C(NCc1cccc(CN2CCCC2)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 224628815 NPZOJOHWXJMGKY-UHFFFAOYSA-N 443.569 2.233 0 40 IEAB Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc(OCCCN)cc3)C2)c2cnccc2n1 257305290 SPHGDHHNYSYDMI-RUZDIDTESA-N 449.555 2.379 0 40 IEAB CCn1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCOCC3)C2)cn1 257318696 VPABZONKAWODKX-RXVVDRJESA-N 426.517 2.062 0 40 IEAB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3cccc(C)c3)C2)cc1 408664469 ZRVILTHZKZWSKU-QGZVFWFLSA-N 439.468 2.069 0 40 IEAB O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCc2ccccc2C1)c1cnccn1 585262313 SWUXLXLZZRRQLZ-AZOUXBGGSA-N 430.508 2.214 0 40 IEAB CN(Cc1cccc(OCCN2CCCCC2)c1)C[C@@]1(O)CCN(c2ncccn2)C1 585271432 FRHWUGMGTFGKQZ-DEOSSOPVSA-N 425.577 2.415 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1 3426466 QAZLZACXACLVSL-UHFFFAOYSA-N 428.413 2.334 0 40 IEAB O=C(Cn1nc2n(c(=O)c1=O)CCN2c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 8848682 MHDASJARFDUNMO-UHFFFAOYSA-N 447.373 2.094 0 40 IEAB CN1C(=O)c2ccc(NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O 9069122 IPCORDDNUUCGLK-KRWDZBQOSA-N 447.900 2.358 0 40 IEAB O=C(NCCNC(=O)c1cncc(Br)c1)c1cncc(Br)c1 9215573 XAWBUVDWGIETJT-UHFFFAOYSA-N 428.084 2.161 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 9509019 JJIUEJZRUARCBJ-IBGZPJMESA-N 447.557 2.318 0 40 IEAB CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4cccc(OC)c4OC)ncn3n2)cc1 9727291 DWWOLOALZMOKTD-UHFFFAOYSA-N 447.495 2.454 0 40 IEAB COCCn1c(=O)c2c(nc3n(-c4ccc(C(F)(F)F)cc4)c(C)c(C)n23)n(C)c1=O 10271910 FIHOIMOHYVDPAY-UHFFFAOYSA-N 435.406 2.421 0 40 IEAB Cc1ccc(Cl)cc1N(CC(=O)N1CCN(C=O)CC1)S(=O)(=O)c1ccccc1 10283170 APEDCXJKAXRXLA-UHFFFAOYSA-N 435.933 2.144 0 40 IEAB Cc1cnc(-c2nc(C3CCN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)CC3)no2)cn1 12187451 VJPANBFRFDKQBI-UHFFFAOYSA-N 441.513 2.187 0 40 IEAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12975156 MGWYAAXAXMPSAT-KBXCAEBGSA-N 431.961 2.480 0 40 IEAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cc1 16048338 LZMPHEUPJKNNNG-QFIPXVFZSA-N 444.438 2.137 0 40 IEAB CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 17028609 JZGUWFZXVVASCW-WUKNDPDISA-N 425.489 2.439 0 40 IEAB CC(C)NC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(Br)cc1 17113433 DZTWYZHHNWXPCA-UHFFFAOYSA-N 441.351 2.393 0 40 IEAB O=C(NCCc1ccco1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1 17169816 JFHYZGKLSMHUAE-SFHVURJKSA-N 434.445 2.002 0 40 IEAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 18952745 GMCAFQNDOXYVNC-INIZCTEOSA-N 429.904 2.350 0 40 IEAB CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@@H](C)N2CCCC2=O)C1 19077519 UYJFDUHUEZQDDB-IQGLISFBSA-N 434.540 2.267 0 40 IEAB CC1(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)CCCCC1 19461185 AVPFFKVHCPAFSA-QGZVFWFLSA-N 436.578 2.112 0 40 IEAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC 20019068 SSPMMIWWQBAAJN-UHFFFAOYSA-N 434.514 2.184 0 40 IEAB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccccc2C(N)=O)S1(=O)=O 20064090 WKLLOMIMSMZJCB-UHFFFAOYSA-N 445.497 2.342 0 40 IEAB Cc1ccc(C)c(N(CC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)S(=O)(=O)N(C)C)c1 20244337 BJRKTSNAYRVUKC-RTBURBONSA-N 438.638 2.400 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NCC(=O)NCc2ccc(OC)c(OC)c2)cc1 21886691 MIKZALLYUQDZJJ-UHFFFAOYSA-N 435.546 2.463 0 40 IEAB O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)Nc1ccc(OCc2ccccc2)cc1 22793772 WCBWGOFWKMOXLM-NRFANRHFSA-N 443.569 2.009 0 40 IEAB O=C(Cn1nc2c(c1NC(=O)[C@@H]1COc3ccccc3O1)CSC2)NCc1ccco1 23139418 UBRBOOQOSBXAAZ-SFHVURJKSA-N 440.481 2.318 0 40 IEAB O=C(OCCCn1c(=O)[nH]c2ccccc21)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 27467897 XFGIJPNARHLABY-HNNXBMFYSA-N 437.452 2.087 0 40 IEAB O=c1[nH]c2ccc(S(=O)(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cc2[nH]c1=O 32895705 STIDJMOVDVRMRL-KRWDZBQOSA-N 431.470 2.485 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 59890850 OWWCMSVLVRVHHS-QVKFZJNVSA-N 440.610 2.319 0 40 IEAB CCOCCCNC(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccccc3Cl)c21 72336712 ZXKFSDFZJOEKPS-UHFFFAOYSA-N 444.923 2.461 0 40 IEAB COc1cccc(-c2noc(CNS(=O)(=O)c3ccc(N4CCCC4=O)cc3)n2)c1 219221332 XYSWVMSCKXMOFC-UHFFFAOYSA-N 428.470 2.351 0 40 IEAB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cccc(OC)c2)S(C)(=O)=O)cc1 220177605 OGJDLWSPCHGKIE-HZPDHXFCSA-N 436.530 2.442 0 40 IEAB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cc1 225264295 MYAYYUPZUHEKSP-HXUWFJFHSA-N 444.553 2.493 0 40 IEAB CCOC(=O)Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OCC)cc2)cc1 226044491 WRWIOOTWHRLATI-UHFFFAOYSA-N 434.514 2.450 0 40 IEAB CC(C)(C)C1CCN([C@H]2[C@H](NC(=O)CCC(N)=O)C[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 257220759 DMAIMVNFNJXMDG-VKGYTVAMSA-N 449.567 2.215 0 40 IEAB Cc1ncc(C(=O)NC[C@]2(c3ccccc3)CC[C@@H](O)[C@H](N3CCOCC3)CC2)c(C)n1 257237647 HHKWMCLLAQKTGB-VDKIKQQVSA-N 438.572 2.397 0 40 IEAB CNCCOc1cccc(C(=O)N(C)C[C@@]2(O)CCN(c3ccnc4ccc(C)nc34)C2)c1 257288661 PVCIONMFFRHCFO-VWLOTQADSA-N 449.555 2.250 0 40 IEAB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NCCCn2ccnc2)c(Cl)c1 408597994 YOGAZJCLXOVYSM-UHFFFAOYSA-N 428.942 2.056 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1)c1ccccc1 409232630 RVKMYCDNLZQNQQ-QGZVFWFLSA-N 443.569 2.383 0 40 IEAB Cc1ccc(OCC(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c(C(C)(C)C)c1 575610318 IZTKGSZAVVHYOJ-UHFFFAOYSA-N 435.532 2.391 0 40 IEAB O=C(c1cnc2nc(O)nc(O)c2c1)N1CCN(C(=O)c2cccc3ccccc23)CC1 613525525 JFXVUGZRTMDNJN-UHFFFAOYSA-N 429.436 2.187 0 40 IEAB CC(C)OC[C@H](O)CNC(=O)c1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643584770 SAGQSDWKZAIJHF-HSZRJFAPSA-N 442.556 2.292 0 40 IEAB CN(Cc1ccccc1)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3525262 IJKKDXKPYFMIOC-UHFFFAOYSA-N 436.555 2.351 0 40 IEAB CC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OC 6821126 SRGPVLTUKOQVAI-CYBMUJFWSA-N 445.545 2.317 0 40 IEAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8878719 OXDIEGFWRGIABJ-UHFFFAOYSA-N 432.498 2.100 0 40 IEAB COc1ccc(NC(=O)CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1 9134194 MPGSPGKEEMAAKJ-KRWDZBQOSA-N 445.541 2.241 0 40 IEAB Cc1ccc2oc(C(=O)N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc(=O)c2c1 9216890 RWDCSHAZRUGZJP-QFIPXVFZSA-N 434.448 2.226 0 40 IEAB COCCn1c(=O)c2c(nc3n(-c4ccccc4OC)c(-c4ccccc4)cn23)n(C)c1=O 9713291 UHLQPWUBAGRSLI-UHFFFAOYSA-N 445.479 2.461 0 40 IEAB Cc1ccc(CNC(=O)C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)(=O)C3)cc1 10250585 RVPWZCTUFGPWCY-UHFFFAOYSA-N 438.509 2.172 0 40 IEAB CCOc1ccc(-c2nnc3n(CCc4ccccc4)c4c(=O)n(C)c(=O)n(C)c4n23)cc1 10970108 NYOUSPIXVPESLN-UHFFFAOYSA-N 444.495 2.390 0 40 IEAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 12613141 VDYGXXJAKNYLFI-LJQANCHMSA-N 427.574 2.324 0 40 IEAB O=C(COC(=O)CSc1cccc2cccc(Cl)c12)N[C@@H]1CCS(=O)(=O)C1 12624402 ZQJJEEWNLTZHOR-CYBMUJFWSA-N 427.931 2.432 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2COc3ccccc3O2)cc1 12759996 HPNRHCHMUMBVDD-LIRRHRJNSA-N 448.497 2.084 0 40 IEAB Cc1ccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2ccc(C)cc2C)c(C)c1 12805485 HPKJRBALRDKUHD-UHFFFAOYSA-N 440.496 2.166 0 40 IEAB CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)N[C@]23C(=O)Nc2ccc(C)cc23)cc1 12899313 ZIHALMCBOKYSNF-DUHCZJRQSA-N 437.496 2.317 0 40 IEAB biogenic CCOc1ccc(C(=O)COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)cc1 13005900 ODUDSYVYKHGUAM-UHFFFAOYSA-N 430.482 2.330 0 40 IEAB Cc1c(C(=O)OCC(=O)NC(=O)NC2CCCCC2)sc2nc3n(c(=O)c12)CCC3 13062649 QNJOYVRFSCNQIN-UHFFFAOYSA-N 432.502 2.028 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H](C(=O)O)C2)c1 13171264 DWTJCYJLXLIWAN-LBPRGKRZSA-N 447.351 2.416 0 40 IEAB Cc1ccc(S(=O)(=O)NC[C@@H](NNS(=O)(=O)c2ccccc2)c2ccccc2)cc1 16758540 VJJXRIHHNQVJFJ-OAQYLSRUSA-N 445.566 2.498 0 40 IEAB CCOC(=O)C1=C(CN2CCC(C(=O)OCC)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 19538626 XFLRGTIXJQGMCQ-HXUWFJFHSA-N 445.516 2.141 0 40 IEAB COc1ccc(-n2c(O)c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c(=O)n(C)c2=O)cc1 20757263 RPKDXDNXMALHIN-OAQYLSRUSA-N 432.480 2.309 0 40 IEAB biogenic CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCCCc2nc3ccccc3[nH]2)cc1 22700136 ZCKVTXZXLKEJSC-UHFFFAOYSA-N 428.514 2.183 0 40 IEAB CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCN(C)CC2)cc1 22795521 GAMDOISHWKTIGK-QFIPXVFZSA-N 440.544 2.137 0 40 IEAB CS(=O)(=O)N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1 32097044 MOYTUWNJMLZOOD-OAQYLSRUSA-N 443.525 2.450 0 40 IEAB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 32295625 SDIBZALKNTUKIC-ZDUSSCGKSA-N 446.349 2.264 0 40 IEAB CCn1ncc(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)c1C(=O)N1CCOCC1 36615409 PUVHWUBTDFYZLO-INIZCTEOSA-N 449.870 2.300 0 40 IEAB O=c1ccc(-c2ccccc2)nn1CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 40155527 ANQSOZJXMLFBFS-UHFFFAOYSA-N 446.479 2.153 0 40 IEAB O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC[C@@H]1CCN(c2ccccc2)C1 70036774 CCDNRLSVCGMYOB-SBUREZEXSA-N 432.524 2.105 0 40 IEAB COCC(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)C[C@@H]4C=CCC4)C3)cc(=O)[nH]2)CC1 72399240 XKRGXXZOLRPFEJ-IEBWSBKVSA-N 442.560 2.185 0 40 IEAB CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@H]2CCCCNC2=O)cc1 78932281 VUKZJBPOSVOTKS-KRWDZBQOSA-N 433.555 2.144 0 40 IEAB CCn1c(=O)[nH]c(=O)c2c(C(=O)NCCCCc3nc(C)cs3)cc(C3CC3)nc21 95469688 DSZTWMAIMYATPT-UHFFFAOYSA-N 427.530 2.500 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc1OC 100033129 JWADTHIWEUFOBB-QZTJIDSGSA-N 443.847 2.289 0 40 IEAB C[C@@]12C=C[C@@]3(O1)[C@@H](C(=O)NC1CCCC1)N(C1CC1)C(=O)[C@@H]3[C@@H]2C(=O)NCc1ccccc1 100431372 BECBFNRVEMJVFB-FGOOLWONSA-N 449.551 2.065 0 40 IEAB Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1S(=O)(=O)N1CCOCC1 225038974 MMFNMWRAJCVTQI-UHFFFAOYSA-N 447.538 2.182 0 40 IEAB CCNC(=O)Cc1c(C)nc([C@H]2CCN(C(=O)c3cccc(OC)c3OC)C2)nc1C 257335942 YMMSHALLRVHCIN-INIZCTEOSA-N 426.517 2.419 0 40 IEAB CCCS(=O)(=O)N1C[C@@H](c2cn(C(C)C)cn2)[C@]2(CCN(Cc3ccncc3)C2=O)C1 306134331 NJGXLSXJKULORJ-UGKGYDQZSA-N 445.589 2.417 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 408705572 IWKVCSFRLQBVAD-UHFFFAOYSA-N 434.470 2.024 0 40 IEAB O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)c(Cl)c1)[C@H]1C=C[C@@]2(C2OCCO2)O1 409286437 QANICRGBZKRDKC-IPJQOSJUSA-N 426.650 2.288 0 40 IEAB C[C@@H](CO)NC(=O)c1cccc2c1CN(Cc1ccccc1)CC(=O)NCCCCCO2 643575047 CSAJJPNWFLEDKZ-IBGZPJMESA-N 439.556 2.478 0 40 IEAB O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)N1C[C@@H](CO)[C@@H](CCO)C1 1159698620 UNDRAMXQURQHOY-KBPBESRZSA-N 444.962 2.265 0 40 IEAB Cc1nc(CN2CCO[C@H]3CN(S(=O)(=O)c4ccc5ncsc5c4)C[C@@H]32)cs1 2056224727 RSVNBFSXGBOIOV-IRXDYDNUSA-N 436.584 2.335 0 40 IEAB CC[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 678558 IBBXUMWEWWIKAS-WCQYABFASA-N 438.937 2.407 0 40 IEAB Cc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc(C(F)(F)F)c1)CN=3)C(=O)N2 2245853 VBWLWAQTWGVXLH-MSUUIHNZSA-N 444.438 2.443 0 40 IEAB COc1ccc(-c2cc(C(=O)c3c(N)n(C)c(=O)n(C)c3=O)c3ccccc3n2)cc1OC 3241605 SNMNCBYJIUGYCB-UHFFFAOYSA-N 446.463 2.130 0 40 IEAB O=C(COc1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 3514815 ZKHXTDVCZBWCOC-UHFFFAOYSA-N 439.331 2.361 0 40 IEAB CC1=NN(Cc2ccc(Br)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C 8706198 BPDPUHXTFSUVJR-NSHDSACASA-N 431.294 2.153 0 40 IEAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1F 9127537 MXDSMOLNBQEXGF-JOCHJYFZSA-N 425.416 2.009 0 40 IEAB COCCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(C(=O)OC)cc1 9934315 AKMPRCGQRXDSCF-SFHVURJKSA-N 425.441 2.286 0 40 IEAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N1CCN(C(=O)c2ccco2)CC1 10109580 NLRTYDXOEFGDIQ-UHFFFAOYSA-N 438.513 2.345 0 40 IEAB CCOc1ccc(C(=O)C2=C(C(=O)OC)Nc3nnnn3[C@@H]2c2ccc(OC)cc2)cc1 10232095 GFJBDJCUAAWIFZ-LJQANCHMSA-N 435.440 2.405 0 40 IEAB COc1ccc(NC(=O)CN2CCCN(Cc3cccc(C)c3)S2(=O)=O)c(OC)c1 10272416 AEEQHVCPNORBIJ-UHFFFAOYSA-N 433.530 2.403 0 40 IEAB Cc1ccc(Nc2nc(N)nc(CN3C(=O)N[C@](C)(c4ccc5c(c4)OCO5)C3=O)n2)cc1 12558696 AINNEKAEAVAUOO-JOCHJYFZSA-N 447.455 2.202 0 40 IEAB O=C(c1cc2ccccc2[nH]c1=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 12616154 OSANMJNQDQQSGI-UHFFFAOYSA-N 429.473 2.204 0 40 IEAB O=C(c1cncn1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 12627232 KXXDDOWJQHBBEF-UHFFFAOYSA-N 432.452 2.297 0 40 IEAB O=C(NCCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccco1 12794243 LWVTUYRHBOOWDJ-LJQANCHMSA-N 431.448 2.033 0 40 IEAB O=C(Cn1nc(-c2ccccc2)oc1=O)N1CCN(Cc2nc3ccccc3s2)CC1 13165167 JFGNRNWYYHMQTB-UHFFFAOYSA-N 435.509 2.457 0 40 IEAB NC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)cc1 14113403 BCZIGNRNHARXKJ-IBGZPJMESA-N 441.484 2.453 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c1C 19045843 ARNUVMXHFLELNL-QFIPXVFZSA-N 425.441 2.255 0 40 IEAB Cc1c(S(=O)(=O)N2CCC(c3n[nH]cc3C(=O)N(C)c3ccccc3)CC2)cnn1C 19553851 DYIAIOVUJMEHEE-UHFFFAOYSA-N 442.545 2.297 0 40 IEAB CN1C[C@H](C(=O)N2CCC[C@@H]2c2nc(O)c3c(n2)CN(CC2CCCCC2)CC3)CC1=O 19587273 WOVMGSVSPMTJJD-YLJYHZDGSA-N 441.576 2.262 0 40 IEAB CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCCn1nc(C)cc1C 22412734 FAVBINWUFGVTFV-IBGZPJMESA-N 438.619 2.415 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C(=O)C(C)C)C3)CC2)c(C)c1 22894651 YTSSUHLFAAYULF-HXUWFJFHSA-N 449.617 2.339 0 40 IEAB COc1cc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1OC(F)F 23458239 WHLVSNDUIYZCTC-UHFFFAOYSA-N 443.447 2.106 0 40 IEAB Cc1cc(=O)c(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)nn1-c1ccccc1 23562078 NDUPRUQYQJRJTM-NRFANRHFSA-N 436.487 2.483 0 40 IEAB O=C(CSc1nnnn1-c1ccccc1)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386438 CYSRHDQQOPFOKV-SFHVURJKSA-N 448.508 2.323 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Nc2ccccc2-n2cccn2)CC1 48231012 NMLQFXQSSZFWQP-UHFFFAOYSA-N 430.490 2.016 0 40 IEAB COCCOC(=O)c1c(C)[nH]c(C(=O)Nc2n[nH]c(-c3ccc(OC)cc3OC)n2)c1C 58027295 QQMGCJFYEHPZLP-UHFFFAOYSA-N 443.460 2.489 0 40 IEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(cnc(=O)n2CC(=O)N2CCCCCC2)c1 71772608 UWLXXIKZKVNFLT-KRWDZBQOSA-N 446.573 2.362 0 40 IEAB COc1cc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]32)cc(OC)c1 101165889 UQWSLXNFMAJWOM-QZTJIDSGSA-N 443.847 2.289 0 40 IEAB CN1CCC(Oc2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)CC1 219271897 VDMHDEPLXOXIGD-OAQYLSRUSA-N 445.541 2.325 0 40 IEAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(Cc1ccccc1)S(C)(=O)=O 222704478 PCTAFXDBYXFZRE-IBGZPJMESA-N 445.585 2.392 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 222936089 BNVYWIXAWMDVJJ-HXUWFJFHSA-N 447.557 2.015 0 40 IEAB COc1ccc(CCN2CC(=O)N(c3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 230037414 XRBXLGJBKUXHIP-WOJBJXKFSA-N 434.945 2.406 0 40 IEAB CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(C)CCN(c3ncccn3)CC2)C1 257202689 AMWNPZJKXPSSET-XMMPIXPASA-N 441.551 2.318 0 40 IEAB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)n2C)c1 409162415 DSKJRTCDOHHFBG-UHFFFAOYSA-N 439.497 2.483 0 40 IEAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(C(=O)N[C@H]2CCS(=O)(=O)C2)c1 575426612 WWBVHFXJABOOIY-INIZCTEOSA-N 442.946 2.366 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NC[C@@H]2CCc3ccccc3C2)cc1C 679798960 UAQZXRZZCMEBQU-AAIMPIBUSA-N 442.581 2.349 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1cccs1 631715 GTDSMGZOLUVLOF-MUMAZLPKSA-N 426.519 2.478 0 40 IEAB COC(=O)c1ccc([C@@H]2[C@H](C(=O)OC(C)C)[C@@](C)(O)CC(=O)[C@@H]2C(=O)OC(C)C)cc1 4112400 CZCYWGTVNNUEQB-XWQURZDVSA-N 434.485 2.416 0 40 IEAB CC(C)(C)OC(=O)NCC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(N)=O 4906430 JRGDONGZLILPHS-IBGZPJMESA-N 427.501 2.303 0 40 IEAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)N[C@H](C)C(=O)O)CC1 8791383 OBTZKGKFJMXNSU-RDHHWEPZSA-N 441.569 2.438 0 40 IEAB biogenic CCn1c(Cn2ncc(Cl)c(Cl)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 9130025 UPQMZXIRKQLSLS-UHFFFAOYSA-N 430.317 2.218 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCc3ccccc3C2)c1 9614339 LJKSSTZSSXLARX-IBGZPJMESA-N 430.526 2.442 0 40 IEAB CCCN1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1 9630089 KGIROERSTVMOGO-UHFFFAOYSA-N 439.534 2.167 0 40 IEAB O=C(NCC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1 9742832 PYGRYBFPQCKKRM-IBGZPJMESA-N 429.542 2.053 0 40 IEAB CCOC(=O)CCn1c(=O)c2c(nc3n(-c4cccc(Cl)c4C)c(C)cn23)n(C)c1=O 9829419 JCTKRLVCTRMACZ-UHFFFAOYSA-N 443.891 2.362 0 40 IEAB COc1ccc(-n2nnnc2SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 12695695 IOLMTFORVWICLK-UHFFFAOYSA-N 444.542 2.441 0 40 IEAB COCCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc(F)c(Cl)c1 13501898 JUIMJEDTMMTMMY-UHFFFAOYSA-N 442.900 2.450 0 40 IEAB O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1 15563292 OCTQYTNKWHFQDE-UHFFFAOYSA-N 425.913 2.496 0 40 IEAB COc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CCCN3S(C)(=O)=O)sc2c1 16847968 BMLQXXUHKPRBJT-HOCLYGCPSA-N 439.559 2.241 0 40 IEAB CC(C)(C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 17027862 WDDYSDDYCOLBBE-FVJVTNMWSA-N 437.471 2.293 0 40 IEAB CCCn1c(S[C@@H](C)C(=O)NC(=O)NC(C)(C)C)nc2cc(S(N)(=O)=O)ccc21 18522802 KRQNMJUYALLVIR-NSHDSACASA-N 441.579 2.199 0 40 IEAB O=C1c2cc(OCCN3CCOCC3)ccc2-c2ccc(OCCN3CCOCC3)cc21 19345037 HXZYDWIICVVQAR-UHFFFAOYSA-N 438.524 2.320 0 40 IEAB O=C1N([C@@H]2CCCN(C[C@@H]3CCOC3)C2)C(O)=NC12CCN(CCc1ccccc1)CC2 19699638 HWAOFJKEYSRTGL-FCHUYYIVSA-N 440.588 2.321 0 40 IEAB COCCNC(=S)N(CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 19824206 KGQSKRPLBDQTQK-UHFFFAOYSA-N 446.617 2.190 0 40 IEAB COCCNC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20451074 NXCPUJTZJUFBPP-UHFFFAOYSA-N 425.894 2.340 0 40 IEAB COc1ccc(Cn2nnnc2[C@@H](c2ccc(OC)c(OC)c2)N2CCN(C)CC2)cc1 22928298 FMUDZXWDQQNWFN-JOCHJYFZSA-N 438.532 2.084 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 26746431 BJOGLVDMRMCJJQ-HNNXBMFYSA-N 442.541 2.455 0 40 IEAB Cc1cccc(C)c1NS(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 31772922 PDFQULHNIHJKMH-KRWDZBQOSA-N 443.568 2.065 0 40 IEAB COc1ccccc1[C@@H](NC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1nccn1C 32842445 YOLHNCQVUHOFCC-HXUWFJFHSA-N 440.525 2.488 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cccs3)CC2)c1C 34889510 KNRCXQYOMTYJSS-CQSZACIVSA-N 439.559 2.057 0 40 IEAB Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)n1C[C@H]1CCCO1 35279541 DTZIYHCBNORZDW-HXUWFJFHSA-N 445.585 2.473 0 40 IEAB CC(C)N(C(=O)COC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(C)C 39566559 FOMZWCAJJXGNPH-UHFFFAOYSA-N 425.532 2.100 0 40 IEAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)[nH]c(=O)c32)c(OC)c1 40390417 WHNKOTOSKMIKOE-OCCSQVGLSA-N 441.488 2.230 0 40 IEAB O=C(CCNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 48250712 MMZWXAPRXHFHQI-PXNSSMCTSA-N 432.567 2.330 0 40 IEAB CN(C)CCN(C[C@H]1CCCO1)C(=O)CCNC(=O)c1ccc(Br)cc1 72273950 GANGVODSURYOER-QGZVFWFLSA-N 426.355 2.138 0 40 IEAB COc1cccc(CCN2C(=O)CCc3c(C)nc(CN(C)C(=O)c4cnn(C)c4)nc32)c1 72371039 SQBKCMPDNLZOOW-UHFFFAOYSA-N 448.527 2.321 0 40 IEAB CCC[C@H](C(=O)N1CCN(Cc2ccncc2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1 78968797 XQSFSLOLEGMTGN-OAQYLSRUSA-N 445.608 2.447 0 40 IEAB COc1ccccc1N1C(=O)[C@H]2SC(N)=C3C(=O)Oc4c(OC)cccc4[C@@H]3[C@H]2C1=O 79480498 PBGGRYKGHUOGTD-RKVPGOIHSA-N 438.461 2.182 0 40 IEAB CS[C@H](CO)[C@@H](C)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 95426678 ITWWBQPHASYBPF-CZUORRHYSA-N 444.600 2.181 0 40 IEAB COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2cc(C(C)=O)cn2C)cc1 95458524 UCIRBWHUJZVEPN-UHFFFAOYSA-N 429.458 2.079 0 40 IEAB O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc(-n3cncn3)nn2)CC1 96124228 ZDXASDUSYISPKS-UHFFFAOYSA-N 448.712 2.436 0 40 IEAB O=C(NC1CCCC1)[C@H]1N(C2CCCC2)C(=O)[C@@H]2[C@@H](C(=O)NC3CCCC3)[C@@H]3C=C[C@@]12O3 100430729 AJUGEODEELKVEN-KHMSYKNRSA-N 441.572 2.197 0 40 IEAB O=C(NC[C@H]1COc2ccccc2O1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 225264417 PNYMFVOUVIMROR-SFHVURJKSA-N 448.516 2.324 0 40 IEAB CCCNC(=S)Nc1nc(N2CCOCC2)cc(N2CCN(c3ccccc3)CC2)n1 225885431 GYBDSQWDSYEGNG-UHFFFAOYSA-N 441.605 2.336 0 40 IEAB Cc1ccc(C)c(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@H](C)O)CC3=O)cc2)c1 408614662 GAJJFJBRURPEGV-ZWKOTPCHSA-N 439.512 2.171 0 40 IEAB CCOC(=O)c1c(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(COC(C)=O)C=C[C@H]3O2)sc2c1CCCC2 409286063 PMVOEUXVNBNOPP-KUETTWRLSA-N 445.493 2.180 0 40 IEAB O=C(CN1CCN(c2ccc(F)c(F)c2)C1=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575607700 VVZUIALZTXIDGT-AWEZNQCLSA-N 437.834 2.330 0 40 IEAB CNC(=O)[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)CCN1Cc1ccccc1 585261821 RSZUUUXGYLSPNT-JOCHJYFZSA-N 439.531 2.333 0 40 IEAB CC(=O)NCCCOc1ccc(CN2CC[C@H](O)[C@@](O)(COc3cccc(C)c3)C2)cc1 585281791 RPAWLPBXYYXOES-DQEYMECFSA-N 442.556 2.277 0 40 IEAB O=C(c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)N(Cc1ccco1)C[C@H]1CCCO1 1160502567 LKQJEKRLAORRNI-HXUWFJFHSA-N 448.541 2.246 0 40 IEAB CCN(CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)c1ccccc1C 1543013106 CYJDVLHRBLMJRD-SIKLNZKXSA-N 427.520 2.281 0 40 IEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)c1 1668867481 SQWRSMPPBPCMGJ-IBGZPJMESA-N 446.573 2.234 0 40 IEAB C[C@@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)O 1737594 COHGIZCCOYJYPA-PXAZEXFGSA-N 425.393 2.271 0 40 IEAB biogenic COC(=O)CN1C(=S)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 2222029 REEYHHQQVAZQPK-INIZCTEOSA-N 433.436 2.469 0 40 IEAB CCOc1ccccc1Nc1nnc(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)s1 3366105 NYISQOBBUNXGJG-GFCCVEGCSA-N 442.588 2.418 0 40 IEAB O=C(OCC(=O)N1CCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 9128368 FEQKHRNJXRJZKD-SFHVURJKSA-N 432.473 2.111 0 40 IEAB O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)NC(=O)N1CCn2c1nc1ccccc12 9130387 PRPXVMOCZDCOLJ-ICSRJNTNSA-N 433.512 2.472 0 40 IEAB Cc1ccc(NC(=O)[C@H](NC(=O)COc2ccccc2)C(C)C)cc1S(=O)(=O)N(C)C 9455110 SXVBSFHIBCJZAI-OAQYLSRUSA-N 447.557 2.404 0 40 IEAB O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)Nc1ccc2c(c1)CCC2 9726925 YWALFHURRBMLKX-UHFFFAOYSA-N 433.555 2.322 0 40 IEAB Cc1ccc(S(=O)(=O)N2c3ccc(S(=O)(=O)N4CCOCC4)cc3C[C@H]2C)cc1 10119301 WPPLJXNJWDINHS-MRXNPFEDSA-N 436.555 2.156 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)NC4CC4)cc3)ccc21 12508234 XCCJIUVEWKBGQA-UHFFFAOYSA-N 449.554 2.227 0 40 IEAB COc1ccc(NC(=O)CSc2nncs2)cc1S(=O)(=O)N1CCCCC1 12643697 AZRKPBLIDRDGFS-UHFFFAOYSA-N 428.561 2.452 0 40 IEAB O=C(NC1=NCCS1)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 12822163 JHMBIQMPOVFPMF-VIFPVBQESA-N 438.394 2.130 0 40 IEAB Cc1ccc(CCC2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc1 13020251 IJAKITCBQLJRFO-SFTDATJTSA-N 432.586 2.202 0 40 IEAB O=C(Nc1ccc(Cn2cncn2)cc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 13692119 IPUAICPBLFHQDU-UHFFFAOYSA-N 439.903 2.429 0 40 IEAB Cc1c(NC(=O)c2cccc(NC(=O)CN3CCCC3=O)c2)c(=O)n(-c2ccccc2)n1C 14201774 NEAIGROHMCZLKB-UHFFFAOYSA-N 447.495 2.298 0 40 IEAB Cc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N([C@H](C)C(=O)NCc3ccco3)CC1)O2 19219053 YHEPMSJCLIEOER-MWTRTKDXSA-N 425.485 2.166 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC[C@@H](c2nnc(-c3ccccn3)o2)C1 19403301 QBEUAGHVLJDFHK-CQSZACIVSA-N 428.470 2.471 0 40 IEAB CCc1nc(-c2cncnc2[C@H]2CN(CC(=O)N3CCCc4ccccc43)CCO2)no1 19693695 RYVSHZWTKCPMRZ-LJQANCHMSA-N 434.500 2.442 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)c3cc(C4CC4)on3)CC1)C2=O 19700684 YPOQHRXFJVMRKU-UHFFFAOYSA-N 443.548 2.201 0 40 IEAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NCCN1CCOCC1 20568049 WUBSBMFNPMPPDR-UHFFFAOYSA-N 443.569 2.434 0 40 IEAB COc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Cl)c1OCC(N)=O 22107957 HCEGKKVKABUBCR-UHFFFAOYSA-N 448.936 2.070 0 40 IEAB CS(=O)(=O)Nc1cccc2c1CCCN2S(=O)(=O)c1ccc2c(c1)OCCCO2 40135006 YTBQTAABDGPOSK-UHFFFAOYSA-N 438.527 2.361 0 40 IEAB COc1ccccc1CCN1CC(=O)N(c2cccc(Cl)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 55408498 KOWAHGREUQVFDQ-RBUKOAKNSA-N 434.945 2.406 0 40 IEAB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2cccc(OC)c2)c1 57315824 SZOVTCVDSNODPW-UHFFFAOYSA-N 442.541 2.360 0 40 IEAB CCOC(=O)C1CCN(CC2=C(C(=O)OC)[C@H](c3ccc(OCC)cc3)NC(=O)N2)CC1 67287171 DCRWTZGIJFMTIF-FQEVSTJZSA-N 445.516 2.141 0 40 IEAB COc1ccccc1N1CCN(C[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)O)CC1 71281208 GMTPITOFCXFARN-INIZCTEOSA-N 441.484 2.276 0 40 IEAB Sc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1 85413369 JBIZFGHVHSMEPK-UHFFFAOYSA-N 431.547 2.187 0 40 IEAB Cn1cnnc1[C@@H]1CCCN1C(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 95453605 JRAWEOZZKIUXEJ-BLRBJFNZSA-N 441.513 2.264 0 40 IEAB CCN(CCC1CCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)CC1)CC1CC1 95457699 VDGZHGGBYGUZEN-UHFFFAOYSA-N 432.594 2.493 0 40 IEAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1 95970752 QOQYKHLJKYPZDL-UHFFFAOYSA-N 437.496 2.311 0 40 IEAB CCN1CC[C@@]2(CN(Cc3cccnc3)CC23CCN(C(=O)N2CCCC2)CC3)C1=O 96144410 PRNQZZXZUIVIIV-XMMPIXPASA-N 425.577 2.434 0 40 IEAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)NCc3ccco3)CC2)cc1 101466383 QZMGKROWLUZKHJ-HDICACEKSA-N 447.557 2.105 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3cccs3)no2)ccc1OC 223905986 SSGBKQAQAYJFDZ-UHFFFAOYSA-N 436.515 2.377 0 40 IEAB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 224066400 JAHMFBZCTNROLX-QGZVFWFLSA-N 449.548 2.188 0 40 IEAB CN(C[C@]1(O)CCN(c2ccnc3cccnc23)C1)C(=O)CC1(CC(=O)O)CCCC1 257223052 DVSAHJIUXRUQRD-HSZRJFAPSA-N 426.517 2.455 0 40 IEAB CN1CCC(C(=O)N2CC[C@@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)CC1 257293543 QPZGFXZVTKISMN-QGZVFWFLSA-N 442.585 2.426 0 40 IEAB COc1ccc(-c2ccc3c([C@H]4CN(C(=O)c5cnc(C)cn5)CCN4C)nnn3c2)cn1 306129732 ILECPTCHQZIJRU-HXUWFJFHSA-N 444.499 2.027 0 40 IEAB CS(=O)(=O)N(CC(=O)N1CC(=O)Nc2ccccc21)c1ccc(Br)cc1 408620315 NQLGGKOLLPHDHG-UHFFFAOYSA-N 438.303 2.200 0 40 IEAB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1 408705227 ZVXJSXVHYWAOBF-CQSZACIVSA-N 448.497 2.346 0 40 IEAB CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1 409206113 HRRPEVYBXTYLPI-GOSISDBHSA-N 431.558 2.491 0 40 IEAB COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ccn(Cc2ccncc2)n1 534168335 ZHKLKFIGJMFVRD-UHFFFAOYSA-N 427.486 2.484 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)n2cccn2)cc1 575612732 CESCLHDAXNPFIA-KRWDZBQOSA-N 430.511 2.166 0 40 IEAB CC1(C)NC(=O)N(CCCC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)C1=O 9449031 DIJSJLRWVBWKEX-UHFFFAOYSA-N 431.518 2.182 0 40 IEAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)N1CCN(c2ccccn2)CC1 9466311 RPGLARFNWXIMEW-KRWDZBQOSA-N 439.497 2.418 0 40 IEAB CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cc(C)cc(C)c1)CN=3)C(=O)N2 9542318 DWSDVWMENLAIDC-VXPUYCOJSA-N 434.521 2.131 0 40 IEAB O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)[C@H]4CCCO4)CC3)c(F)cc2c1=O 9723120 XIXNQOUMXGSPQG-LJQANCHMSA-N 429.448 2.001 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccccc3OC)C2)c1 10059483 AQKICULTAYYJRL-KRWDZBQOSA-N 448.541 2.430 0 40 IEAB CCc1cc(O)n2nc([C@@H]3CCCN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)C3)cc2n1 12134567 CGSHCRYBCISNGG-MRXNPFEDSA-N 442.541 2.350 0 40 IEAB CN(CC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Cc1ccc(N2CCCC2=O)cc1 12616030 FNODERFITNAMAB-UHFFFAOYSA-N 448.567 2.159 0 40 IEAB CNS(=O)(=O)Cc1ccc(CNC(=O)c2cc(OC)ccc2Br)cc1 12858671 XAMPEHSFOKHGPM-UHFFFAOYSA-N 427.320 2.437 0 40 IEAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 13121136 OMFCDGBCCWGQAV-RYUDHWBXSA-N 426.589 2.049 0 40 IEAB COc1ccc([C@H]2CC(=O)c3cnc4[nH]n(-c5nc(C)cc(O)n5)c(=O)c4c3C2)c(OC)c1 13639700 CFDCPNRHASSMCO-GFCCVEGCSA-N 447.451 2.448 0 40 IEAB CCN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)CC1 22246953 GBYWZZNQHWHXRX-FQEVSTJZSA-N 445.585 2.057 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCN(C)CC2)c1 22579326 HTEYKBLDAVHWEZ-LJQANCHMSA-N 437.537 2.110 0 40 IEAB O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)NCCN1CCOCC1 22767604 XHDKSYKFEFIYDH-UHFFFAOYSA-N 445.516 2.062 0 40 IEAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCc2nc(CCC)no2)c(=O)[nH]c1=O 22828401 NAWQVTOIHLDZLP-UHFFFAOYSA-N 444.492 2.013 0 40 IEAB Cc1ccc([C@H](CNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)N2CCOCC2)o1 25399472 VKGPZFVEVHUKQJ-HKUYNNGSSA-N 427.501 2.282 0 40 IEAB COc1ccc(OC)c(NC(=S)NN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 36006960 HXBOPUOFANYZHR-UHFFFAOYSA-N 430.530 2.452 0 40 IEAB CC(C)OC(=O)Cn1cc(I)c(=O)c(I)c1 36735191 ZEABWJRJIHPBFL-UHFFFAOYSA-N 447.010 2.009 0 40 IEAB COCCn1c(-c2nc(C(=O)N3CCN(S(C)(=O)=O)CC3)cs2)cc2ccccc21 38670988 XJIHDYQJQUSRAH-UHFFFAOYSA-N 448.570 2.129 0 40 IEAB COc1ccc(C(NC(=O)CN2CCC[C@@H]2C(=O)N(C)C)c2ccc(OC)cc2)cc1 48340321 UREMQPRZRULTDS-OAQYLSRUSA-N 425.529 2.462 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)N[C@@H]1c1cccs1 57415982 DTWORXGXXGNKHK-LJQANCHMSA-N 430.505 2.490 0 40 IEAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cn1 62580850 LCBJFIRYEDXAFA-UHFFFAOYSA-N 425.894 2.082 0 40 IEAB O=C(Nc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(N2CCCCS2(=O)=O)cc1Cl 95472782 NZOAYPMCCIJIQK-AWEZNQCLSA-N 425.898 2.492 0 40 IEAB Cc1ncsc1C(=O)NC[C@H]1CC[C@H](c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 100707165 GKCQAQSPRIIUQD-OKILXGFUSA-N 427.530 2.101 0 40 IEAB CCOc1ccc(CNc2ncc3c(=O)n(-c4ccc5c(c4)OCO5)c(=O)[nH]c3n2)cc1 102911733 AUPUNUFWSPXHHC-UHFFFAOYSA-N 433.424 2.209 0 40 IEAB CCNC(=O)c1cc(S(=O)(=O)NCc2nc(-c3ccc(C)cc3)no2)ccc1OC 223905412 AYGKSZWYSYLLCN-UHFFFAOYSA-N 430.486 2.282 0 40 IEAB Cc1cccc(OCCNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)c1C 223930621 QRASVJJAHOUXFR-KRWDZBQOSA-N 448.541 2.424 0 40 IEAB O=C1CCc2cc(S(=O)(=O)N[C@H](c3cccnc3)C3CCOCC3)cc3c2N1CC3 225625061 RMCWFQLFSQFNIM-NRFANRHFSA-N 427.526 2.363 0 40 IEAB C[C@@H](NC(=S)Nc1nc(N2CCOCC2)cc(N2CCOCC2)n1)c1ccccc1 225958411 LLXJQXKJKSIYDJ-MRXNPFEDSA-N 428.562 2.197 0 40 IEAB CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc2cccc(F)c2)[C@H]1c1ccccc1 257334110 YEPNWDLUIKGVGC-ONTIZHBOSA-N 426.492 2.173 0 40 IEAB CCS(=O)(=O)N1C[C@@H](C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)Oc2ccccc21 260840374 UPZTUPFGEQHMAG-VLIAUNLRSA-N 432.498 2.252 0 40 IEAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 540473887 XACREQOKJVOQNG-NVPYSNMXSA-N 428.488 2.463 0 40 IEAB Cc1noc(C)c1CC(=O)N(C)C1CN(c2ccc3nnc(-c4cccc(F)c4)n3n2)C1 1775970104 BGBYJFQURQMKGP-UHFFFAOYSA-N 435.463 2.425 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2csc(N3CCCCC3)n2)cc1 3457018 FGXLEXOIALXLJG-UHFFFAOYSA-N 437.543 2.423 0 40 IEAB COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC 8753255 PMZBRROFEKMUKE-UHFFFAOYSA-N 434.514 2.214 0 40 IEAB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1nc2ccc(Cl)cc2n1CCO 9493680 JDPZNCFUZROGHR-UHFFFAOYSA-N 446.847 2.454 0 40 IEAB CC(=O)c1sc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nc1C 9632660 YVWMFQCMRLMNGT-UHFFFAOYSA-N 427.479 2.066 0 40 IEAB COc1ccc(NCCCn2c(C)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1Cl 10049557 SWWHOAFUJCLKAC-UHFFFAOYSA-N 430.896 2.159 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC1)CNC2=O 12086680 FRVLBLRDILQVOX-OJLQRUNKSA-N 443.544 2.073 0 40 IEAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13002565 GCAYEGWSNBHFNH-SNVBAGLBSA-N 430.866 2.470 0 40 IEAB CCCCN(C(=O)COc1ccc(C)cc1OC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 13041375 TZWVSHHTXCJFCJ-UHFFFAOYSA-N 432.521 2.304 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN(C(=O)CN3CCOCC3)[C@H]2c2ccccc2)cc1 13880001 KUVCSDDKBGSFQS-HSZRJFAPSA-N 443.569 2.249 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)NC(=O)N[C@@H]1C 13985861 GNBVBVXFAFHRHM-LLVKDONJSA-N 430.436 2.304 0 40 IEAB CCN(C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 14023058 ABUFSMNWRNOODT-KRWDZBQOSA-N 434.587 2.332 0 40 IEAB CCc1cc2c(=O)n(NC(=O)CCNS(=O)(=O)c3c(C)cc(C)cc3C)cnc2s1 17246483 OYFOFXXUTNOEAG-UHFFFAOYSA-N 448.570 2.384 0 40 IEAB Cc1c(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 17303196 PWNYHPLMBATYMU-UHFFFAOYSA-N 448.932 2.397 0 40 IEAB CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3n[nH]c4c3CCCC4)[nH]c2=O)C1 19499117 AAHLYSUTUSHXAY-SFHVURJKSA-N 438.532 2.034 0 40 IEAB COc1ccc(-c2nc([C@H]3CCCN(C(=O)CCN4CCC(C)=N4)C3)[nH]c2C(N)=O)cc1 19698934 SNYSZACVUCPSKS-KRWDZBQOSA-N 438.532 2.362 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@@H]1c1ccc(C)cc1 20560277 HTIRTVKGVHRZQS-YLJYHZDGSA-N 429.517 2.441 0 40 IEAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1)C(=O)Nc1cccc(Cl)c1 20613988 HBQMJNHUFYSRLW-KRWDZBQOSA-N 431.876 2.197 0 40 IEAB CCN1C[C@@H](CN(C)Cc2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2ccccc21 21319373 MDCJDWVEDACJGI-HXUWFJFHSA-N 445.585 2.427 0 40 IEAB O[C@H](COCCOc1ccccc1Br)CN1CCN(c2ccccn2)CC1 23109588 OAHSZTWEMLTVNJ-KRWDZBQOSA-N 436.350 2.423 0 40 IEAB O=C(Cc1csc(N2CCCC2=O)n1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24302939 XSZSFXUCHVLILG-UHFFFAOYSA-N 426.542 2.092 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc4cn[nH]c34)CC2)cc1 25610652 MDLIHWGLKAJMAX-UHFFFAOYSA-N 441.513 2.104 0 40 IEAB O=C(NCc1ccccc1)NC1(C(=O)NCc2ccnc(N3CCOCC3)c2)CCCC1 25759720 VWBYPMVXHQTCMB-UHFFFAOYSA-N 437.544 2.347 0 40 IEAB CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)OCC)C2)sc(C(=O)NC)c1C 32764559 UPPDRDYBAIRXRI-LBPRGKRZSA-N 425.507 2.400 0 40 IEAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 32986574 XOUFKTJLRJTLPL-SFHVURJKSA-N 437.562 2.060 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)CC1 48314216 CCGUPWWZXGHASL-UHFFFAOYSA-N 429.848 2.220 0 40 IEAB CCCn1c(=O)c2snc(-c3ccccn3)c2n(CC(=O)NCc2ccccc2)c1=O 67350245 GBPJSRQGRQUUDV-UHFFFAOYSA-N 435.509 2.408 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)c1ccccc1Br 72297077 IWBAYEZVLPOHQB-ZYHUDNBSSA-N 443.367 2.344 0 40 IEAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)N(C)S(=O)(=O)N1 72335105 WDFGGLUTGXONLF-HUUCEWRRSA-N 432.333 2.254 0 40 IEAB CCOC(=O)C1=C(CN(CC)Cc2cnn(C)c2)NC(=O)N[C@@H]1c1ccc(OC)cc1 78729359 NXVABTJGSLUSRZ-HXUWFJFHSA-N 427.505 2.122 0 40 IEAB CCOc1cc(C(=O)N[C@H]2CCC(=O)N[C@@H]2c2cnn(C)c2)cc(OCC)c1OCC 79021486 NAIHGMCQTCZAFV-OXJNMPFZSA-N 430.505 2.366 0 40 IEAB CCCc1sc(NC(=O)CC[C@H]2NC(=O)c3ccccc3NC2=O)nc1C(=O)OC 96344725 MAOBAYKCIBBLET-CYBMUJFWSA-N 430.486 2.352 0 40 IEAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 135813460 UKAHJJSTQRBPJW-ZTENYAIWSA-N 440.235 2.259 0 40 IEAB C[C@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C)c1ccc2c(c1)OCCO2 222696118 HOOJWBUDLSOTGB-AWEZNQCLSA-N 437.493 2.087 0 40 IEAB O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc2ccccc2o1 224481971 DHACHFVGGPTZFF-UHFFFAOYSA-N 430.482 2.263 0 40 IEAB COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224834929 DMBCDSJTJJCHSM-UHFFFAOYSA-N 427.862 2.488 0 40 IEAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 225560501 ARYVCNJDILYGSA-UHFFFAOYSA-N 440.525 2.132 0 40 IEAB Cc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)on1 257211067 BXJZOAPSSDTSJB-ICSRJNTNSA-N 426.517 2.057 0 40 IEAB Cc1nc2cc([C@H]3CCN(C(=O)C(C)(C)C)C3)nn2c(C)c1CCC(=O)N1CCOCC1 257233065 GNOUQSQHGGJJCU-SFHVURJKSA-N 441.576 2.500 0 40 IEAB CN(C)c1cncc([C@@H]2CCCN2C(=O)c2ccccc2OCCN2CCOCC2)n1 257301458 RYNHCEGOUPXSAA-FQEVSTJZSA-N 425.533 2.231 0 40 IEAB Cc1ccc(N([C@H](C)C(=O)NCc2cccc(CN3CCOCC3)c2)S(C)(=O)=O)cc1 260892679 CYOPJKWQHUAWLC-LJQANCHMSA-N 445.585 2.298 0 40 IEAB COc1cc([C@@H](CC(=O)NCCCn2ccnc2)c2oc(C)cc(=O)c2O)ccc1O 524732154 ZOERPYATLYEMQV-MRXNPFEDSA-N 427.457 2.293 0 40 IEAB biogenic COc1ccc(CNC[C@]2(O)CN(C(=O)c3ccc(Cl)cc3)CC[C@H]2O)cc1OC 585284019 DXZXFSADYBBHQV-IRLDBZIGSA-N 434.920 2.085 0 40 IEAB OC1(CN2CCOC[C@](O)(COc3cccc(F)c3)C2)CCN(c2ccccc2F)CC1 585287516 NOCZGYIWIGQHPO-DEOSSOPVSA-N 448.510 2.438 0 40 IEAB COc1c2c(c(Br)c3c1[C@H](CC(=O)NCCCN(C)C)N(C)CC3)OCO2 1547138552 NBTVLJKJEBWJJO-ZDUSSCGKSA-N 442.354 2.173 0 40 IEAB biogenic Cc1cc(S(=O)(=O)N(Cc2ccc(F)cc2)C[C@@H]2CCCO2)ccc1-n1cnnn1 934137 KMZUCNRCLDCUML-SFHVURJKSA-N 431.493 2.480 0 40 IEAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(C)[nH]c(=O)[nH]c2=O)o1 2429811 DKURWHGUBBGQHG-NSHDSACASA-N 443.551 2.366 0 40 IEAB CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2ccccc2)c(=O)[nH]c1=O 2618222 QGEDLXBJKXAMHE-UHFFFAOYSA-N 430.505 2.155 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3c4ccccc4C[C@@H]3C)cc2C1=O 3569384 KTMPFOHZFXXUGC-HNNXBMFYSA-N 436.464 2.454 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ncccn3)CC2)ccc1Cl 8824813 UPYMOTBHXJKLCG-UHFFFAOYSA-N 437.953 2.123 0 40 IEAB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1OC 9076536 OANJFWUQHSCUSK-UHFFFAOYSA-N 442.541 2.499 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccccc3)C2)cc1 9183747 KZJLEGDVIDUGQH-IRXDYDNUSA-N 445.541 2.239 0 40 IEAB CC(=O)N1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)Oc2ccccc21 9765246 SJYRUKYHEFQFCG-FQEVSTJZSA-N 429.498 2.224 0 40 IEAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N1CCC[C@H](c2nnc3ccccn23)C1 12391013 QARXUPHFBNXAAA-AWEZNQCLSA-N 433.921 2.067 0 40 IEAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CN2CCN(C(=O)c3ccccn3)CC2)c1 13021008 GEQDHPMXBYONJC-OAQYLSRUSA-N 438.528 2.220 0 40 IEAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)N[C@H]1CCS(=O)(=O)C1 13121135 OMFCDGBCCWGQAV-NEPJUHHUSA-N 426.589 2.049 0 40 IEAB O=C(CN1CCN(S(=O)(=O)N2CCCCC2)CC1)Nc1ccc(Cl)c(Cl)c1 13566726 HUKBKDHKEFUZNB-UHFFFAOYSA-N 435.377 2.280 0 40 IEAB CCC[C@H](C)NC(=O)CN(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14246801 ZAJVQXGMXWNDKN-KRWDZBQOSA-N 429.565 2.324 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1ccc(C(=O)OC)cc1)c1ccc2c(c1)OCCO2 14398360 PJQVFTBXHDTHSE-UHFFFAOYSA-N 434.470 2.039 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(Br)s2)c(=O)[nH]c1=O 14624576 TUOFGCWXENTNIE-UHFFFAOYSA-N 445.339 2.036 0 40 IEAB COCC(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)CC4CCCC4)C3)cc(=O)[nH]2)CC1 19592751 JLDBALWWKCJRCY-IBGZPJMESA-N 444.576 2.409 0 40 IEAB CNC(=O)c1cc([C@H]2CCN(C(=O)c3ccnc(N4CCOCC4)c3)C2)nc2ccccc12 19756886 WMPOHRJUEXTDBG-SFHVURJKSA-N 445.523 2.456 0 40 IEAB CNC(=O)c1cnc(C2CCN(C(=O)COCc3nc4ccc(C)cc4[nH]3)CC2)nc1C 19766453 LQUZCEBIHSQPRV-UHFFFAOYSA-N 436.516 2.252 0 40 IEAB Cc1ncc(C(=O)N2CCOCC2)c([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1 19766722 RXDYAINVOIZQRN-LJQANCHMSA-N 427.480 2.172 0 40 IEAB COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1OC 20021850 XBYVXBURULQVDX-UHFFFAOYSA-N 448.541 2.492 0 40 IEAB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NC(=O)NCc1cccs1 21740930 SWXXCJARWXTSEE-MRXNPFEDSA-N 449.554 2.169 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 22228325 LDUOGEHJBMNYJO-QGZVFWFLSA-N 431.558 2.253 0 40 IEAB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(OC)c(OC)c2)c1 22230322 QXFPLPLMGXZVID-SFHVURJKSA-N 448.541 2.490 0 40 IEAB CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 22851227 KMUVBYACHJZMJK-IBGZPJMESA-N 434.514 2.166 0 40 IEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1 23134450 VTSNZIVVCBEJNV-UHFFFAOYSA-N 447.474 2.118 0 40 IEAB COc1ccc([C@@H](CNC(=O)c2nn(-c3ccccc3)c(C)cc2=O)N2CCOCC2)cc1 23989894 GFLUNJAKNRQXFI-JOCHJYFZSA-N 448.523 2.353 0 40 IEAB COc1ccc([C@H](NC(=O)CNC(=O)NCc2ccc(F)cc2)c2nccn2C)cc1 24026292 HQVPANLSCSVWRV-FQEVSTJZSA-N 425.464 2.273 0 40 IEAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CCS(=O)(=O)CCC(N)=O)CC2 25392151 VWDGBBRHNNPDCH-FQEVSTJZSA-N 438.571 2.003 0 40 IEAB COc1cc(/C=C/C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 26105945 SPCSSMZEPHEHGV-JXMROGBWSA-N 434.514 2.129 0 40 IEAB Cc1c(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)c(=O)n(-c2ccccc2)n1C 31814843 HDZDMGDGWFRPGD-UHFFFAOYSA-N 439.493 2.237 0 40 IEAB COc1cc(OC)c2cc(C(=O)NCc3ccnc(N4CCOCC4)c3)[nH]c2c1OC 33046854 KZQCRQSXEPXRIZ-UHFFFAOYSA-N 426.473 2.355 0 40 IEAB O=C(CN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H](c1ccc(F)cc1)c1cccs1 36007168 CYXFSUAYTHDBHF-NQIIRXRSSA-N 431.533 2.416 0 40 IEAB CCn1c(CCC(=O)NCCOc2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21 36742366 FOTKKZNVCYRAJT-UHFFFAOYSA-N 444.557 2.434 0 40 IEAB COc1ccc(NC(=O)Cn2nc3cc(C)nc(N4CCc5ccccc5C4)n3c2=O)cc1 57505832 IDSZKGLLKCFIAI-UHFFFAOYSA-N 444.495 2.409 0 40 IEAB COc1cc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)ccc1OCC(N)=O 72393253 VTWQZTOXOGJCTA-QGZVFWFLSA-N 449.511 2.084 0 40 IEAB C[C@@H]1CN(CCOc2ccc(CCNC(=O)c3ccc(OCC(N)=O)cc3)cc2)C[C@H]1C 95460121 DKUNGDOTPYOCNE-RTBURBONSA-N 439.556 2.490 0 40 IEAB CCOC(=O)c1sc(NC(=O)CN2C(=O)[C@H]3CCCN3C(=O)c3ccccc32)nc1C 97531496 OZZRMCNEIYOHLR-OAHLLOKOSA-N 442.497 2.218 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CC[C@@](Cc2cc(-c3ccc(F)cc3)no2)(C(N)=O)C1 257338416 YXIORYYYTYGJBJ-FQEVSTJZSA-N 448.476 2.194 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1C(=O)N1CCOCC1 408693418 SVIYAWCHPAVICS-KRWDZBQOSA-N 432.542 2.467 0 40 IEAB Cn1cc(-c2nc([C@H]3COCCN3C(=O)NCc3nc4ccccc4n3C3CC3)no2)cn1 572172681 KPKIPYLEPDEWNB-GOSISDBHSA-N 448.487 2.438 0 40 IEAB COc1ccc(C(=O)CN(CCCCCC(=O)O)[C@@H]2CCS(=O)(=O)C2)cc1OC 575423988 QNJHBCKKWVEGER-MRXNPFEDSA-N 427.519 2.021 0 40 IEAB Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 585322444 MZTKYBXDVFWJJS-UHFFFAOYSA-N 437.465 2.066 0 40 IEAB COCc1nc(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)n[nH]1 604405055 PCOHOJGLFDSLQR-HXUWFJFHSA-N 446.467 2.485 0 40 IEAB biogenic Cc1nn(C)cc1C(=O)N1CCO[C@]2(CCCCc3ccccc3OCCN(C)C2=O)C1 643555706 DCZSYLJODRSFNX-XMMPIXPASA-N 440.544 2.204 0 40 IEAB COc1ccccc1-c1ccc(=O)n(C2CN(S(=O)(=O)c3ccc4c(c3)CCO4)C2)n1 1775973439 BYICGXVJWISMEW-UHFFFAOYSA-N 439.493 2.099 0 40 IEAB Cc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)c2ccc(Br)cc2)cc1 1863036 UMJXXMVCFAIEJY-UHFFFAOYSA-N 447.285 2.030 0 40 IEAB Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)OCC(N)=O)c1C 3346977 VDLVVXWOXYOWFC-IBGZPJMESA-N 430.526 2.064 0 40 IEAB COc1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1OC 3474217 DABYNFYIGKTINZ-SNVBAGLBSA-N 440.374 2.421 0 40 IEAB CCOC(=O)CNC(=S)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 8397461 XWJPJOAVQKAGFM-UHFFFAOYSA-N 443.547 2.289 0 40 IEAB O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC[C@H]1c1nc2ccccc2s1 9491040 NAAFSLLGYOOURZ-CJNGLKHVSA-N 446.554 2.125 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)[C@H](C)NC(N)=O 9507685 TZTXQNAZCSWARN-JTQLQIEISA-N 426.882 2.145 0 40 IEAB CC(C)Oc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 9569872 HVGQETFCBGKZTH-UHFFFAOYSA-N 449.548 2.495 0 40 IEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O 9883875 UXGAFRSESNWGOZ-HNNXBMFYSA-N 428.452 2.346 0 40 IEAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 10253210 HVVOQMZKUBLRGU-UHFFFAOYSA-N 429.454 2.483 0 40 IEAB CS(=O)(=O)N(CC(=O)NCCCN1CCCCC1)c1cccc(Br)c1 10277892 NSOWIBJJRNUQEF-UHFFFAOYSA-N 432.384 2.207 0 40 IEAB CC[C@H](Cn1nc(-c2ccc(OC)cc2)ccc1=O)NC(=O)c1n[nH]c(=O)c2ccccc12 12182482 WACVBFFRXAXZQK-MRXNPFEDSA-N 445.479 2.364 0 40 IEAB CN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4cccc(OC(F)F)c4)CC3)cc2C1=O 12775702 LTJDYNRYPZHLIM-UHFFFAOYSA-N 443.406 2.112 0 40 IEAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 12938810 VQMFEHABZAZCEB-UHFFFAOYSA-N 437.562 2.167 0 40 IEAB S=C1NCN(CCc2ccccc2)CN1N1CN(CCc2ccccc2)CNC1=S 14165228 QIMQUDPAMVDJIX-UHFFFAOYSA-N 440.642 2.201 0 40 IEAB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CSCC1=O 14864137 VTATWRWVSCUMHK-UHFFFAOYSA-N 441.575 2.120 0 40 IEAB CCOC(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 19312850 FZWXYQNVEWYPKN-UHFFFAOYSA-N 444.575 2.495 0 40 IEAB CCc1nnsc1C(=O)N1CCO[C@](Cc2ccc(-c3cccnc3)cc2)(C(N)=O)C1 19521880 DJIQLOYDBWZEIL-QFIPXVFZSA-N 437.525 2.102 0 40 IEAB Cc1cnc(C(=O)N2CC[C@H](c3c(C(=O)N4CCOCC4)sc4ncccc34)C2)cn1 19701996 GESYCPROFMKZNW-HNNXBMFYSA-N 437.525 2.497 0 40 IEAB COc1ccc(C)cc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(OC)c2)c1N 20575030 OSLQCBOYNVAFPN-UHFFFAOYSA-N 440.460 2.086 0 40 IEAB COCCn1c(C)cc(O)c([C@H](c2cccnc2)N2CCN(c3ccccn3)CC2)c1=O 22697881 XUDSKEYMJOVHTB-QHCPKHFHSA-N 435.528 2.210 0 40 IEAB COc1ccc([C@@H](CNS(=O)(=O)c2cc(F)ccc2F)N2CCN(C)CC2)cc1 22783060 JFWUIQVIDWIRRL-LJQANCHMSA-N 425.501 2.240 0 40 IEAB Cc1n[nH]c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 34858970 QPZIRUMVZALVJT-UHFFFAOYSA-N 446.360 2.278 0 40 IEAB CCc1cccc(C)c1NC(=O)CSc1nnc(CCc2c(C)[nH]c(=O)[nH]c2=O)o1 35597124 QZZHDEOCQTVZJK-UHFFFAOYSA-N 429.502 2.141 0 40 IEAB CCc1noc(CN2N=C(C(=O)N3CCCCCC3)S(=O)(=O)c3ccc(C)cc32)n1 49402731 CRRYBNRTQLUEFI-UHFFFAOYSA-N 431.518 2.450 0 40 IEAB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)C(C)C)c1 72288212 SZNYEVHWGWUPOQ-QUCCMNQESA-N 446.525 2.103 0 40 IEAB CCOC(=O)/C=c1/s/c(=C/c2ccsc2)c(=O)n1Cc1cc(C(C)=O)ccc1OC 96794355 NGPMTCBVBFHICV-VQCWNDBCSA-N 443.546 2.403 0 40 IEAB COc1cccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5c(OC)cccc5[C@@H]4[C@@H]3C2=O)c1 101413182 UNZYQERRJYJOOV-VKJFTORMSA-N 438.461 2.182 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223094809 VSBRCQSUVVBJIW-NRFANRHFSA-N 445.585 2.477 0 40 IEAB COc1cccc(OCCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)c1 224030794 ILIMKVACJZFDKE-UHFFFAOYSA-N 434.514 2.297 0 40 IEAB CCc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 225165850 WXRFLESQZXOBGY-UHFFFAOYSA-N 432.498 2.268 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 225223294 CXYWDYOWGTXBGQ-GOSISDBHSA-N 431.558 2.233 0 40 IEAB COc1ccccc1N1CCN(C(=O)C[C@@H](NS(C)(=O)=O)c2ccc(F)cc2)CC1 225947289 MQRBSLMVXMPULT-GOSISDBHSA-N 435.521 2.164 0 40 IEAB CN1CC2(CCN(C(=O)CC(C)(C)C)CC2)C[C@@H](O)[C@@H](O)Cc2ccccc2OCC1=O 643574116 CJWJPGNLYMFCQK-VQTJNVASSA-N 446.588 2.237 0 40 IEAB COc1ccc(S(=O)(=O)N(CC(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1OC 665663 FUKOMMHZEZJDOZ-KRWDZBQOSA-N 434.514 2.194 0 40 IEAB O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 1325827 BBZSSRIOBRCLFZ-UHFFFAOYSA-N 449.598 2.418 0 40 IEAB CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1OC 2184000 MLAOLYAKCMHONP-NTUHNPAUSA-N 443.861 2.500 0 40 IEAB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc2c(c1)OCCO2 3236315 VTFUYOUFERQNCM-UHFFFAOYSA-N 432.498 2.050 0 40 IEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)c1C 3483682 UBVKNZKWZXVMEH-UHFFFAOYSA-N 429.473 2.371 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(c3ncccn3)C2)cc1 3841368 WWHOTSBVHNFQNF-DLBZAZTESA-N 437.525 2.371 0 40 IEAB biogenic,in-vitro C[C@H](NC(=O)CCC(=O)N[C@@H](C)[C@@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 4400218 DZOGSZUWOBXAJH-WWLNLUSPSA-N 440.496 2.456 0 40 IEAB Cn1c(=O)n(Cc2c(F)cccc2Cl)c(=O)c2c1nc1n2CCN1Cc1ccco1 6444962 BISWMPOOCPWLOS-UHFFFAOYSA-N 429.839 2.351 0 40 IEAB COc1ccccc1CNC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(C2(O)CCCC2)nn1 8299844 BRWNLAZCMASSRZ-RLLQIKCJSA-N 439.560 2.075 0 40 IEAB biogenic,in-vitro CCc1oc(C(=O)OC)cc1CNS(=O)(=O)c1cc2oc(=O)n(C)c2cc1Cl 8816576 MMQCDIVHKGHYHT-UHFFFAOYSA-N 428.850 2.205 0 40 IEAB CCN(C(=O)CSc1nnc(-c2ccco2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 8936481 BMHYSRJWVNHUBP-CQSZACIVSA-N 426.564 2.322 0 40 IEAB CCCCn1c(N)c(N(Cc2ccco2)C(=O)c2cccnc2OCC)c(=O)[nH]c1=O 9166011 BWOJOUDCEPMJDG-UHFFFAOYSA-N 427.461 2.153 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)c1 9535379 OEJHOLJRZYXCLQ-UHFFFAOYSA-N 436.555 2.401 0 40 IEAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 9612653 BFYQNWJICXQGSB-CYBMUJFWSA-N 434.568 2.391 0 40 IEAB COc1ccc(OC)c(NC(=O)c2cn(C)c3c(=O)n(Cc4ccccc4)c(=O)[nH]c23)c1 9821410 BRNGZSRPEWSZQZ-UHFFFAOYSA-N 434.452 2.346 0 40 IEAB COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccccc3OC)c2=O)cc1 9830950 IROLJDANTLELDJ-UHFFFAOYSA-N 446.463 2.262 0 40 IEAB C[C@H](Oc1ccccc1)C(=O)NCCCS(=O)(=O)N1CCN(c2ccccc2)CC1 11796073 CQQMCJHKFJMTQE-IBGZPJMESA-N 431.558 2.112 0 40 IEAB Cn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2cc(F)ccc21 11853006 OJZTWOCGUFRDGL-XUTLUUPISA-N 435.502 2.141 0 40 IEAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 11978298 BNXKUWKQBHDXLM-UHFFFAOYSA-N 448.881 2.355 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CCCC[C@@H]1[C@H]2NC(=O)N[C@@H]2CS1(=O)=O 12727611 ABVDGHBWOQVZNM-FMKPAKJESA-N 444.351 2.103 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3onc(C)c23)CC1 12858811 MLHXHYMAKZNCKZ-UHFFFAOYSA-N 445.501 2.160 0 40 IEAB C[C@@H]1Sc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc2NC1=O 12946563 RXJNDINCAPPJQB-ZDUSSCGKSA-N 449.529 2.405 0 40 IEAB COc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1 13151097 CRMGUFVCLBTVSB-HNNXBMFYSA-N 446.529 2.199 0 40 IEAB C[C@H]1Cc2cc(C(=O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)ccc2N1S(C)(=O)=O 14084939 ZLRKDUOKZJVDFC-FPTDNZKUSA-N 441.509 2.047 0 40 IEAB O=C(c1cc(Br)ccc1O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 14120478 HNIUTIRRAVEFAC-UHFFFAOYSA-N 443.294 2.441 0 40 IEAB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 16022258 AWQDYKVTPRVKJN-GVPVYCASSA-N 437.471 2.293 0 40 IEAB CC(C)C(=O)N1CCc2nc3cc([C@@H]4CCCCN4C(=O)[C@H]4CCCO4)nn3c(O)c2C1 19085916 YQUTYBAHQKPTSV-RBUKOAKNSA-N 441.532 2.208 0 40 IEAB COc1ccc(S(=O)(=O)CCC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1 19289606 IQFJCDUBHOUBIO-UHFFFAOYSA-N 432.527 2.453 0 40 IEAB COc1ccc([C@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(C)CC2)cc1OC 19589849 MGROXXVJGXYSJA-OAQYLSRUSA-N 426.496 2.215 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)c3ccccc3OCC)C1)C2=O 19700011 RHPAPGLSRPDYPF-GOSISDBHSA-N 442.560 2.486 0 40 IEAB Cn1cc2c(n1)[C@H](C(=O)N1CCN(c3ccc(F)cc3)CC1)CN(C(=O)c1ccccn1)C2 19701280 BQESLIGRQOLRTO-HXUWFJFHSA-N 448.502 2.043 0 40 IEAB Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c12 19826319 RMYLYRWYGPEVCL-JOCHJYFZSA-N 429.528 2.208 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC[C@@H]3COc4ccccc4O3)C2)cc1 20926486 HRDPQZTWHIHSOM-FUHWJXTLSA-N 446.525 2.052 0 40 IEAB O=C(NC[C@@H]1CCCO1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 22527495 CKKIQPLUVMUNEU-KRWDZBQOSA-N 445.379 2.286 0 40 IEAB COC(=O)C1CCN([C@@H](c2ccc(OC)c(OC)c2)c2sc3ncnn3c2O)CC1 22609359 NOLKBNIQQMRWGS-INIZCTEOSA-N 432.502 2.488 0 40 IEAB CC(C)c1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2cnn(C(C)C)c2n1 23989970 ZABLJDCXJIYFSN-INIZCTEOSA-N 433.578 2.081 0 40 IEAB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1sccc1S(=O)(=O)N1CCCC1 25807604 IODLFARDJHDHFR-UHFFFAOYSA-N 435.527 2.423 0 40 IEAB Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(I)cc2)cc1 26666334 CSQUANNRMFAFGA-UHFFFAOYSA-N 444.294 2.308 0 40 IEAB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)CCNC(=O)c2ccco2)CC1 32882052 WNNSFQHEIVOFQY-IBGZPJMESA-N 433.892 2.111 0 40 IEAB Cc1cc(Cl)c2c(c1)[C@]1(N[C@H]([C@@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 35374797 AGIHIDZNRIRCTO-USWCKYCVSA-N 445.947 2.472 0 40 IEAB CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCN(C(=O)OCC)CC1 35843210 KVXUMIHBKWDALY-UHFFFAOYSA-N 446.504 2.456 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(=O)N3CCc4ccccc4[C@@H]3C2)cc1 36108726 WLWZSRBBWKXITM-NRFANRHFSA-N 441.553 2.299 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4noc(C)n4)cn3)CC2)cc1C 42380600 WPKCLOOLLXVLNR-UHFFFAOYSA-N 429.502 2.268 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)n2nnc(-c3ccc(Br)cc3)n2)CC1 57485080 LDQBNTGRWGYUCV-LBPRGKRZSA-N 436.310 2.465 0 40 IEAB COC(=O)c1ccc(OC[C@H](O)CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 57527251 PNRBWPZWEWBQFY-GOSISDBHSA-N 431.485 2.297 0 40 IEAB O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1ccc(F)c(F)c1 67318839 XSTNSRKWPZBBRC-UHFFFAOYSA-N 427.407 2.391 0 40 IEAB COc1ccc(OC)c(CNC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)c1 72310052 GHPSNZWWVLLYOY-UHFFFAOYSA-N 427.501 2.274 0 40 IEAB CN1CCN(C(=O)CN2CCOCC2)[C@@H](Cc2ccccc2-c2ccc(F)cc2)C1=O 72351632 CJIYJUORAHQKAO-QFIPXVFZSA-N 425.504 2.037 0 40 IEAB O=C1CCCN1CC(=O)N1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1 72352471 GDOJSQBKVRRLSU-INIZCTEOSA-N 441.553 2.312 0 40 IEAB COC(=O)COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)OC)cc1OC 79193423 CHZQNUDYMAFKJG-NQIIRXRSSA-N 440.404 2.419 0 40 IEAB biogenic O=C(CSc1ncnc2nc[nH]c12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 95481729 DGWVZRYSDBBUQJ-UHFFFAOYSA-N 447.527 2.341 0 40 IEAB COCCN1CC2(CCN(C(=O)c3ccccn3)CC2)COc2ccccc2S1(=O)=O 96263530 ZBYGXUAXJIHZIR-UHFFFAOYSA-N 445.541 2.034 0 40 IEAB COc1ccc([C@H]2CC(c3c(O)[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)cc1O 101465543 NIQRVOMRICNZMP-CYBMUJFWSA-N 428.832 2.038 0 40 IEAB Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cccc1N(C)S(C)(=O)=O 222430575 NPUMAONZUMEMFC-UHFFFAOYSA-N 428.514 2.441 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223583074 STEHUQBSFNTHFR-LJQANCHMSA-N 445.585 2.477 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 225193055 CNNZGYXJXYGBKG-OAHLLOKOSA-N 437.949 2.269 0 40 IEAB Cc1cc(C)n2nc(C(=O)N3CCC(Cc4n[nH]c(=O)n4-c4ccccc4C)CC3)nc2n1 225550301 FLEMXSJREOTENC-UHFFFAOYSA-N 446.515 2.018 0 40 IEAB CC[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(S(C)(=O)=O)cc1 225682514 JUWALWKFRDRPQN-OAHLLOKOSA-N 440.568 2.433 0 40 IEAB CNc1nc([C@@H]2CCN(C(=O)c3cccc(N4CCCC4=O)c3)C2)nc2c1CN(C)CC2 257247654 IZYQOJVEBJXNHZ-QGZVFWFLSA-N 434.544 2.263 0 40 IEAB CN(Cc1ccc(F)cc1)[C@H]1[C@H](NC(=O)CCC(=O)O)C[C@@H](Oc2cccc(F)c2)[C@@H]1O 257301375 RYFWHLJKXQZWOA-VKGYTVAMSA-N 448.466 2.327 0 40 IEAB CC(=O)NCC(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 257318030 VMFDYKVBNKMGBE-GOSISDBHSA-N 440.422 2.086 0 40 IEAB COCCN1C[C@@]2(CCN(C(=O)c3ccc(C)s3)C2)Oc2ccccc2S1(=O)=O 306126224 DPYAQCHUGWZMCA-FQEVSTJZSA-N 436.555 2.371 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CN(C(=O)NC4CC4)CC[C@@H]3N2CC2CC2)cc1 306128998 HQWJXWTVGAQMKF-COPCDDAFSA-N 426.561 2.358 0 40 IEAB Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1 408656656 NTOSUEPRNKMFIS-CQSZACIVSA-N 429.860 2.324 0 40 IEAB COc1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)nc(N2CCOCC2)n1 575603822 LJARLZXOZBXZSV-UHFFFAOYSA-N 431.924 2.498 0 40 IEAB COCCn1c(C(=O)N2CC[C@H](Oc3nccs3)C2)cc2c(=O)n3ccccc3nc21 585320069 HPKJUEHPWQJMMV-AWEZNQCLSA-N 439.497 2.046 0 40 IEAB Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@H](N)C(C)(C)C)cc1 936069017 ZLOXMSNKPDWMEF-LNLFQRSKSA-N 430.574 2.070 0 40 IEAB CC(C)NC(=O)N1CCC2(CC1)[C@H](C(=O)NC1COC1)c1ccccc1C(=O)N2C(C)C 1549174857 SNZVUAGGUQBBSM-FQEVSTJZSA-N 442.560 2.102 0 40 IEAB CCc1ccc(C(=O)NC[C@H]2Cc3c(nn(C)c3C(=O)NCc3ccccc3)CO2)cn1 1565555949 KANITPPNQYHPRV-LJQANCHMSA-N 433.512 2.179 0 40 IEAB O=C1CN2CCN(C(=O)c3ccncc3)C[C@H]2COc2ccc(-c3cccnc3)cc2N1 1772594446 APMPQFRGPJZCNH-FQEVSTJZSA-N 429.480 2.301 0 40 IEAB C[C@@H]1CCCCN1C(=O)CN1CCO[C@@]2(CC=CCc3ccccc3OCCNC2=O)C1 2037884879 DHXNWRDTFSMRBZ-NLFFAJNJSA-N 441.572 2.156 0 40 IEAB COC(=O)c1cc(NC(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc(C(=O)OC)c1 8791526 NWBXUUGLXXUTDX-UHFFFAOYSA-N 442.468 2.274 0 40 IEAB biogenic CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc(Cl)s2)cc1 9127853 DJFVLMDCRBYRHW-UHFFFAOYSA-N 444.918 2.454 0 40 IEAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)NC(=O)Cc2ccccc2)cc1 9465121 VDCSRVOSFLSMPI-MRXNPFEDSA-N 428.510 2.484 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)NCc3nnnn3-c3ccc(F)c(F)c3)CC2=O)cc1C 9570973 PXPNAIMZECLEJW-AWEZNQCLSA-N 426.427 2.227 0 40 IEAB O=C(c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1)N1CCN(C(=O)C2CC2)CC1 9713473 NPPYUADCNUAVLM-UHFFFAOYSA-N 449.479 2.460 0 40 IEAB O=C(NCCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)c1ccco1 9884248 YVCHDZNFDOCEEF-UHFFFAOYSA-N 441.509 2.086 0 40 IEAB O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(I)cc1 12605599 KGMNDNZNOCTNKC-UHFFFAOYSA-N 435.221 2.323 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(Cn3nnn(-c4ccccc4C)c3=S)CC2)cc1 13071724 AVBQDVUFDPJUJT-UHFFFAOYSA-N 444.586 2.379 0 40 IEAB Cc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)S(=O)(=O)c3ccccc3)cc2c1 13512967 XVEHTIRWUCAAJS-IBGZPJMESA-N 428.510 2.443 0 40 IEAB Cc1nn(Cc2noc(C(=O)NCc3ccc(CN4CCOCC4)cc3)n2)c(C)c1Cl 15081841 KLOODMNFENVQIT-UHFFFAOYSA-N 444.923 2.347 0 40 IEAB CC(=O)N1CCc2nc([C@@H]3CCCCN3C(=O)Cn3nc(C(F)F)cc3C)nc(O)c2C1 19119191 ZGEWNCZLPHEKIG-KRWDZBQOSA-N 448.474 2.283 0 40 IEAB CC(=O)N1CCc2nc([C@H]3CCCCN3C(=O)Cn3nc(C(F)F)cc3C)nc(O)c2C1 19119194 ZGEWNCZLPHEKIG-QGZVFWFLSA-N 448.474 2.283 0 40 IEAB COC(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccc[nH]c3=O)n2)cc1 21689671 SKPKYYYZMZRNIZ-UHFFFAOYSA-N 426.454 2.442 0 40 IEAB CCN1CCN(C(=O)COc2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 22231322 BNYFUPBQHRNIAT-UHFFFAOYSA-N 431.558 2.196 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCc2ccccc2)cc1 24656474 SFCOUNXUQZBZQN-IBGZPJMESA-N 447.582 2.205 0 40 IEAB Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cc(N5CCCC5)ncn4)CC3)CC2=O)cc1C 36708254 FCPBROVDXVCHFU-FQEVSTJZSA-N 448.571 2.395 0 40 IEAB CN(C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1Cl 89314337 BOSLWKPKNBZZOO-AWEZNQCLSA-N 432.908 2.212 0 40 IEAB CCc1cccc2c1NC(=O)[C@]21N[C@@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 105348849 FIWJEROXCFEZOZ-CUCGOEMNSA-N 425.529 2.073 0 40 IEAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NCCCN4CCOCC4)cn1c23 223108555 RUHSHDOJTYFKFZ-CYBMUJFWSA-N 434.334 2.333 0 40 IEAB COc1ccc(N(CC(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)cc1OC 223660255 FSIVTQWIHLLSDN-UHFFFAOYSA-N 436.530 2.282 0 40 IEAB CN(c1ccc(OCC(=O)NCc2ccccc2CN2CCCC2)cc1)S(C)(=O)=O 224802247 AWBHTGBATPCUQR-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)s1 225763952 BOSDRVQCQXSOBI-UHFFFAOYSA-N 437.547 2.128 0 40 IEAB Cc1ccccc1CC(=O)N1C[C@H]2[C@H](C1)N(C(C)C)S(=O)(=O)c1cccnc1N2C 306143112 XTMQGULFGJNUJR-OALUTQOASA-N 428.558 2.061 0 40 IEAB COCCCNC(=O)c1ccccc1NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O 408623063 XVBYFYPGSKEHMO-UHFFFAOYSA-N 447.557 2.474 0 40 IEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3cnn(C)c3)[C@H]21 604418509 HYKXMRBNHYDCSO-NRFANRHFSA-N 447.451 2.191 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3cnc[nH]3)CCO2)C1=O 643555747 BFERTEFDBLBZNA-QHCPKHFHSA-N 426.517 2.275 0 40 IEAB CCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1=O 643555844 GEUTXDUYFMBQIE-XMMPIXPASA-N 440.544 2.135 0 40 IEAB O=C([C@H]1C[C@@H](NC2CCC(F)(F)CC2)[C@H](c2cnc(C3CC3)[nH]2)[C@@H]1O)N1CCOCC1 2332241852 UJUGIMZXUNNKKE-QFHJOOASSA-N 438.519 2.146 0 40 IEAB CS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)c1 1431462 DRTPWUANRMOBHC-KRWDZBQOSA-N 426.491 2.021 0 40 IEAB COc1ccc([C@H]2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1 3640865 GBQJALOKJUMMDN-NRFANRHFSA-N 445.541 2.461 0 40 IEAB Cc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CCN3CCCCC3)c(=O)n2C)cc1 9410815 OEFUAEZWSQHWHT-GOSISDBHSA-N 436.560 2.479 0 40 IEAB O=C1NCCN(C(=O)c2ccc(Cl)cc2)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 9433960 KLHMJQSUIKRKKA-HXUWFJFHSA-N 440.931 2.020 0 40 IEAB O=C(Cc1ccc(F)cc1)NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1 9569832 FUEQSWIQLVTGGI-UHFFFAOYSA-N 439.940 2.290 0 40 IEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)c1C 9633599 ZWBPTINBSVQJGX-UHFFFAOYSA-N 427.413 2.188 0 40 IEAB CCN(CC)S(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 10374541 SSWUOXGYEGHXGV-UHFFFAOYSA-N 440.566 2.378 0 40 IEAB COc1ccc(C(=O)N[C@H](C(=O)NC2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1 11528679 XFBSBHDNAKWXNR-FQEVSTJZSA-N 427.501 2.464 0 40 IEAB COc1ccc(N(C)c2nnc(-c3ccc(NC(=O)C(=O)NC[C@@H](C)O)cc3)s2)cc1 11797289 PVZUFSHAUDDZER-CYBMUJFWSA-N 441.513 2.417 0 40 IEAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1 11978261 YEPAMINANCOXMI-UHFFFAOYSA-N 430.891 2.216 0 40 IEAB COc1ccc2c(c1)C(=O)N[C@@]1(CC2)CN(C(=O)[C@@H](C)c2ccccc2)C[C@@H]1C(=O)N(C)C 12125245 UMTBARNHTLZBSZ-RRFXTLBOSA-N 449.551 2.460 0 40 IEAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2[C@@H]2CCCN(c3cc(C)nc(N)n3)C2)on1 12184481 OXPJPMSMERSAOG-QGZVFWFLSA-N 449.563 2.256 0 40 IEAB CCCCn1c(N)c(N(CCOC)C(=O)c2cc(Cl)nc3ccccc23)c(=O)[nH]c1=O 12850099 JFJAIEXSCFALEY-UHFFFAOYSA-N 445.907 2.414 0 40 IEAB CCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2C1=O 12885785 ZWSXXBSNYLLQAU-ZDUSSCGKSA-N 437.452 2.366 0 40 IEAB Cc1ccccc1-n1nnn(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1=S 13071726 KHRRTZUADAAITE-UHFFFAOYSA-N 430.559 2.071 0 40 IEAB Cc1cc(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1Cc1ccco1 13110183 PSZFTIJVFQOEMM-UHFFFAOYSA-N 427.457 2.337 0 40 IEAB CCN1C(=O)[C@H](NC(=O)C(=O)NCCc2ccc(O)cc2)c2cc(Br)ccc21 13629837 UMPAPHHHPPGNDY-QGZVFWFLSA-N 446.301 2.037 0 40 IEAB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCCN21 16032752 AOGIBEHNSIMDBK-DNBVQBCISA-N 445.475 2.409 0 40 IEAB biogenic Cc1ccc(Cl)c2sc(N3CCN(C(=O)[C@@H]4CCCN4S(C)(=O)=O)CC3)nc12 16847910 YPSDVFIZZSGKJA-AWEZNQCLSA-N 442.994 2.331 0 40 IEAB Cc1ccc2oc(C(=O)N[C@H](C)C(=O)N3CCC[C@@H](C(=O)CS(C)(=O)=O)C3)c(C)c2c1 19220459 UQFZKALVLVMXFM-HZPDHXFCSA-N 448.541 2.020 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)Cc3ccc(C)cc3)CC1)C2=O 19699359 FNUQTHSDHTXSMA-UHFFFAOYSA-N 426.561 2.325 0 40 IEAB COc1ccc(Cn2c(=O)[nH]c(O)c([C@H]3NCCc4c3[nH]c3ccc(OC)cc43)c2=O)cc1 20610613 NBORDIWHEORJMZ-OAQYLSRUSA-N 448.479 2.024 0 40 IEAB biogenic COC(=O)c1cn(-c2ccccc2NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)nn1 23185183 UQUXKXNFRJEVNY-IBGZPJMESA-N 435.440 2.424 0 40 IEAB COc1ccc(C(=O)N2CCN(C(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)cc1 29152152 GYGYAXGFTDCGBF-NRFANRHFSA-N 437.496 2.411 0 40 IEAB COc1ccccc1N1C[C@@H](C(=O)NCCNC(=O)c2cc3ccccc3n2C)CC1=O 32101788 UADUVYPHXSBCPX-KRWDZBQOSA-N 434.496 2.086 0 40 IEAB CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cccc(OC)c1 40059960 NQZGLCIQBCAMEP-UHFFFAOYSA-N 433.530 2.329 0 40 IEAB COc1cccc(Oc2nccn3c(=O)n(CC(=O)Nc4ccc5c(c4)OCCO5)nc23)c1 49008411 HGSSSPUWYVMUIE-UHFFFAOYSA-N 449.423 2.102 0 40 IEAB O=C(CN1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1)Nc1cccc(F)c1 57315499 XGEGMPCMLPXUFB-UHFFFAOYSA-N 428.489 2.266 0 40 IEAB O=C(c1cnnn1-c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1 58005162 XJAJRNXYPVGRJD-UHFFFAOYSA-N 431.905 2.067 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 59890846 OWWCMSVLVRVHHS-YCRPNKLZSA-N 440.610 2.319 0 40 IEAB COc1ccc(C2(CNC(=O)Cn3nc4c(cc3=O)CCCCC4)CCOCC2)cc1 71287810 MQKWBEPFDCOUBH-UHFFFAOYSA-N 425.529 2.385 0 40 IEAB NC(=O)C1CCN(CC(=O)NC2CCN(CC3(c4cccc(F)c4)CCCC3)CC2)CC1 72393467 CIEJPMDJIOUPEJ-UHFFFAOYSA-N 444.595 2.415 0 40 IEAB CC[C@H](C)[C@H](NCC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)C(N)=O 89942167 NKWYXQIFMWHFMV-YWZLYKJASA-N 438.594 2.068 0 40 IEAB COCCN1C(=O)[C@@H]2C[C@@H](CN2Cc2ccc(S(C)(=O)=O)cc2)Oc2ccccc21 96111950 DLMWCWPQWRKPHU-PXNSSMCTSA-N 430.526 2.105 0 40 IEAB biogenic,in-vitro O=C1C[C@H](Cc2ccc(C(=O)N[C@@H]3CCN(c4ccccc4Cl)C3=O)cc2)C(=O)N1 101329528 JMMBAVPOZMLXAQ-DOTOQJQBSA-N 425.872 2.081 0 40 IEAB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3[C@H]3C=CC=NN32)cc1 104206527 XYJHJKBRXBIALT-CWJKEVGVSA-N 431.448 2.301 0 40 IEAB NC(=O)c1ccccc1NC(=O)CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 113480501 XVNSOJGJCQQXSV-KBPBESRZSA-N 442.566 2.023 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222951393 PDOQGMZOVDFKGC-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB COc1ccc(CCC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 224241749 WFCVNEHGGCVMSE-UHFFFAOYSA-N 436.530 2.082 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)NCc1cccc(CN2CCCC2)c1)c1ccccc1 224607602 PVVGNWJXQCTHRX-UHFFFAOYSA-N 430.574 2.212 0 40 IEAB C[C@@H](C(=O)NCCN1CCOCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 408616123 WEFDJQIAJPVNJB-SFHVURJKSA-N 447.557 2.082 0 40 IEAB C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N1CC[C@H](CNc2ccccn2)C1 506071568 LNRDFUXRFQVHMN-NZQKXSOJSA-N 437.588 2.353 0 40 IEAB COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)Cn1nc(-c2ccco2)ccc1=O 524729895 NJZLFLJBNGMXGX-AZUAARDMSA-N 428.533 2.243 0 40 IEAB biogenic O=S(=O)(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)c1ccc(-n2cccn2)cc1 575414513 IZURLPOUPQBQRL-LBPRGKRZSA-N 426.424 2.067 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCn3cc(CC(=O)NCc4ccco4)nc3[C@H]2C)cc1 585097907 OWGHXEFQKJLIKD-MRXNPFEDSA-N 428.514 2.409 0 40 IEAB Cc1nn(C)c(C)c1CCN(C)c1ncc2c(=O)n(Cc3ccccc3F)c(O)nc2n1 888107124 OZMOGRXYIKENRS-UHFFFAOYSA-N 437.479 2.109 0 40 IEAB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O 3464625 OZWHBDLOABOPQJ-FQEVSTJZSA-N 433.367 2.422 0 40 IEAB COc1ccccc1N1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 9095493 LWWYRMZSEAKDMW-NRFANRHFSA-N 445.541 2.324 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2ccc(OCC(N)=O)c(OC)c2)cc1 9446121 LNAMKBNVMOFGCQ-INIZCTEOSA-N 449.573 2.441 0 40 IEAB COc1cccc(CN(C)C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1OC 9512299 RGIPGVTWXICUMZ-DEOSSOPVSA-N 437.496 2.446 0 40 IEAB CC(C)n1c(=O)n(CC(=O)N2CCCCC2)c2c(C(N)=O)nc(-c3cccs3)nc21 12220586 ZAIFOKZYNMINOD-UHFFFAOYSA-N 428.518 2.014 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)NCc1ccc(C)c(F)c1)c(=O)n2Cc1ccccc1 12548026 XOBCQHGQLGDECJ-UHFFFAOYSA-N 449.486 2.192 0 40 IEAB CCC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(C)cc1 13502928 ATBXUPMOMHVIFO-UHFFFAOYSA-N 435.546 2.200 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 13549625 ZBPMIUVKHZVYJG-CQSZACIVSA-N 437.543 2.288 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(I)cc2)ccc1OC 15501856 DJQSUYSOUIHXJX-UHFFFAOYSA-N 446.266 2.460 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)CC1 15861415 PVVBIZAZNSFXCV-CYBMUJFWSA-N 432.546 2.343 0 40 IEAB COc1ccc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccc(OC)cc3)CC2)cc1 15884041 PJMDBLXQEFXXEL-UHFFFAOYSA-N 445.483 2.190 0 40 IEAB Cc1nn(Cn2ccc(C(=O)N3N=CC[C@@]3(O)C(F)(F)F)n2)c(C)c1Br 17099370 STNPOKJMEVBWLD-CYBMUJFWSA-N 435.204 2.047 0 40 IEAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc21 17316182 PLANXNSSEWVBHZ-UHFFFAOYSA-N 427.482 2.024 0 40 IEAB C[C@H]1CCc2c(sc3ncn(C4CCN(C(=O)CN5CCCC5=O)CC4)c(=O)c23)C1 19497204 KYQYYQYVPIGTSP-AWEZNQCLSA-N 428.558 2.369 0 40 IEAB COCCn1nnnc1[C@@H](c1ccc(OC)cc1OC)N1CCN(c2ccccc2)CC1 19594003 DPVQGZDGTSOMJF-JOCHJYFZSA-N 438.532 2.248 0 40 IEAB CC1CCN(CCNS(=O)(=O)c2ccc3c(c2)C[C@@H](NC(=O)C2CCCC2)C3)CC1 19749581 FMDYYDKGFYDHCS-NRFANRHFSA-N 433.618 2.470 0 40 IEAB Cc1nc([C@@H]2CCCN(C(=O)C3(c4cccc(F)c4)CCOCC3)C2)ncc1C(N)=O 19763442 XVMXCAGAWGFSBF-MRXNPFEDSA-N 426.492 2.477 0 40 IEAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCN(Cc2ccc(Br)s2)CC1 22785228 DTZSSLPCNFMPIN-LLVKDONJSA-N 426.388 2.223 0 40 IEAB COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)C3=COCCO3)nc12 22997855 ZUXFIEZSLAXMCD-UHFFFAOYSA-N 449.529 2.257 0 40 IEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1ccnc(N2CCOCC2)c1 25290179 CACYVFPTRWUMIN-HXUWFJFHSA-N 432.471 2.267 0 40 IEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 32776003 GRZZZQUUCODOAY-JLTOFOAXSA-N 448.479 2.132 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc(C(=O)N4CCCC4)cn3)CC2)c1 32891752 TXBZJXBUCLWVNS-UHFFFAOYSA-N 428.558 2.445 0 40 IEAB Oc1nc(Cn2nnc(-c3ccc(Cl)cc3)n2)nc2c1nnn2Cc1ccc(F)cc1 35311673 ZJHXSIDOGWBWHO-UHFFFAOYSA-N 437.826 2.470 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccccc2-n2cccn2)CC1 40115040 SBUVGEWOLSXVKD-UHFFFAOYSA-N 429.502 2.014 0 40 IEAB COC(=O)CN1C(=S)N(CCc2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 58939433 HSWDRPJPEAZAJR-GOSISDBHSA-N 443.500 2.368 0 40 IEAB C=C(C(=O)OCC)C1=C(SCNC(=O)C[C@@H](NCCCN(C)C)C(=O)O)CCCC1 65090370 GCYBDHBZLYISHM-QGZVFWFLSA-N 441.594 2.125 0 40 IEAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2ccc(-n3ccnc3)nn2)CC1 70641120 RKPTUJIEOAEJMA-UHFFFAOYSA-N 438.435 2.192 0 40 IEAB C[C@@](O)(CNC(=O)Nc1cccc(COCCOc2ccccc2)c1)CN1CCOCC1 72303921 CSZKCCDQLJWTDE-XMMPIXPASA-N 443.544 2.487 0 40 IEAB COc1ccc(-c2[nH]c3ncccc3c2CN2CCN(S(=O)(=O)N(C)C)CC2)cc1 72343210 CZGHOQAOBGFXRA-UHFFFAOYSA-N 429.546 2.163 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)CN2CCc3nc(NC(=O)C4CC4)sc3C2)n1 77191981 HPQCUVWJVWIUFC-UHFFFAOYSA-N 449.558 2.051 0 40 IEAB COc1ccc(CN2CCN(Cn3nc4c(cc3=O)CCCCC4)CC2)c(OC)c1OC 79481261 QSGDAUIEGVASNT-UHFFFAOYSA-N 442.560 2.313 0 40 IEAB COc1ccc2nc(NC(=O)CN3[C@H]4CC[C@H]3CC(O)(c3nccn3C)C4)sc2c1 100127988 ZDLSUAZAZCZYPX-KBPBESRZSA-N 427.530 2.492 0 40 IEAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCC(=O)O 205863311 KDMXNTZMCKMEDF-MHWRWJLKSA-N 434.470 2.207 0 40 IEAB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc21 223846585 LHLUAZAAGDVROD-UHFFFAOYSA-N 437.543 2.182 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 224566692 RPEGXQJPPXBEKB-UHFFFAOYSA-N 437.543 2.098 0 40 IEAB CNc1nc([C@H]2CCN(C(=O)CCN(C)c3ccccc3OC)C2)nc2c1CN(C)CC2 257279413 OGLYWHAVZKFRAS-KRWDZBQOSA-N 438.576 2.357 0 40 IEAB O=C(CCNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1)N1CCOCC1 257324069 WMZXLFWDMJRQIN-UHFFFAOYSA-N 437.540 2.453 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nnc(SC)s3)C2)cc1 260801479 ZDCJJUSCYVBGIS-NSHDSACASA-N 428.561 2.308 0 40 IEAB O=C(Nc1cccc(CNS(=O)(=O)c2ccccc2Cn2cncn2)c1)c1ccccn1 511369699 OFCSQNHZUZKLHZ-UHFFFAOYSA-N 448.508 2.452 0 40 IEAB CC1=NN(Cc2ccccc2F)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 8706327 DLWQTWJJFIHXQO-UHFFFAOYSA-N 432.459 2.480 0 40 IEAB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 9205954 AMXCOOBMEPUYKI-UHFFFAOYSA-N 429.542 2.471 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1C 9227690 PUIBARDCCSLSKF-KRWDZBQOSA-N 446.525 2.449 0 40 IEAB COC(=O)c1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCN(C(=O)OC)C2 9762037 SPOXYRLYOYMJDV-CQSZACIVSA-N 432.454 2.438 0 40 IEAB Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)CCCC(=O)O)CC2)on1 12154516 DHYFMGLMHBUZQC-UHFFFAOYSA-N 443.504 2.238 0 40 IEAB O=c1[nH]c(=O)c2cc(S(=O)(=O)N[C@H](c3ccc(F)cc3)c3cccs3)ccc2[nH]1 12810481 XYORPPKWAAYFPY-QGZVFWFLSA-N 431.470 2.485 0 40 IEAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 13566297 DMBGGYHIUBPZSY-HNNXBMFYSA-N 447.513 2.072 0 40 IEAB Cc1ccccc1-c1ccc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nn1 13662162 TWARJBMORMVYJB-UHFFFAOYSA-N 437.525 2.062 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nnc(-c2ccco2)s1 14094345 WHQOOIJXGAXANK-UHFFFAOYSA-N 434.499 2.380 0 40 IEAB COc1ccc(CC[C@]2(C)NC(=O)N([C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1 14242576 JTPUQNZCLPGHBP-PSLXWICFSA-N 438.484 2.064 0 40 IEAB COC(=O)C1=NN(c2ccccc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 17949703 YFSJRTTWSAIOHL-GOEBONIOSA-N 428.242 2.356 0 40 IEAB CC(C)C(=O)N1CCC(c2nc(O)cc([C@@H]3CCCN(C(=O)c4ccnn4C)C3)n2)CC1 19085340 PMYOFJHQFLVWKL-QGZVFWFLSA-N 440.548 2.298 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN2CCC(n3cnc4cccnc43)CC2)CC1 19571117 VCNPAYQNAVONKE-UHFFFAOYSA-N 434.544 2.426 0 40 IEAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)C3CCCCC3)C1)C2=O 19699691 YEZVIWDTGUFHBT-SFHVURJKSA-N 432.565 2.127 0 40 IEAB COc1ccc([C@H]2C[C@@H](NC(C)=O)C[C@@H](CCNC(=O)CCN3CCC(C)=N3)O2)cc1 19712427 PPWFUMDCMIYJCA-KSEOMHKRSA-N 430.549 2.398 0 40 IEAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 23907794 MWQKGHMZZCUIMR-SFHVURJKSA-N 425.510 2.440 0 40 IEAB COc1ccc([C@@H](CNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)N2CCOCC2)cc1 29993623 MBFKBLUBPYTMDM-JTHBVZDNSA-N 437.540 2.233 0 40 IEAB Cc1cnn(-c2ccc(C(=O)N3CCN(S(=O)(=O)N(C)C4CCCCC4)CC3)cc2)c1 40141933 OPYCDMLPWSHNCQ-UHFFFAOYSA-N 445.589 2.448 0 40 IEAB NC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)ccc1I 78879313 MHHYCOMVBFCIML-KWQFWETISA-N 437.075 2.438 0 40 IEAB COC(=O)c1cnc(NCc2ccc(Cl)cc2)c(S(=O)(=O)N2CCOCC2)c1 95350417 FISVOXLGMPGAKL-UHFFFAOYSA-N 425.894 2.155 0 40 IEAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1Cc2ccccc2C[C@@H]1C(N)=O 95949533 KTJBTESVRMJXOD-HSZRJFAPSA-N 431.540 2.077 0 40 IEAB COc1ccc(NC(=O)c2ccc3nnc([C@H]4CN(c5ncccn5)CCN4C)n3c2)cc1 96156696 QXKCDKHHJDPBIT-LJQANCHMSA-N 444.499 2.273 0 40 IEAB COC(=O)c1ccccc1NC(=O)CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21 102436969 SOKOTAMBDGNLTM-IRXDYDNUSA-N 441.831 2.059 0 40 IEAB COC(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1 220228288 IKRCFQVOTNSROP-CYBMUJFWSA-N 436.486 2.284 0 40 IEAB COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(C)cc2)S(C)(=O)=O)CC1 223475730 LCKNXCGKGACLIC-UHFFFAOYSA-N 431.558 2.114 0 40 IEAB COc1ccc(N(CC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cc1Cl 223685970 SMGZPRSYTIWYNP-UHFFFAOYSA-N 426.922 2.448 0 40 IEAB CS(=O)(=O)N1C[C@@H](C(=O)NCC2(c3ccccc3)CCOCC2)Oc2ccccc21 225233210 FUBHNHYHQOAQRT-FQEVSTJZSA-N 430.526 2.078 0 40 IEAB O=C(CC(=O)NN=Cc1ccc(Br)o1)NN=Cc1ccc(Br)o1 254593712 NHEMZLINWJTIIM-UHFFFAOYSA-N 446.055 2.388 0 40 IEAB CNCCOc1cccc(C(=O)N(C)C[C@]2(O)CCN(c3ccnc4ccc(C)nc34)C2)c1 257288660 PVCIONMFFRHCFO-RUZDIDTESA-N 449.555 2.250 0 40 IEAB CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 408605182 MWSRQYDGSSZWPA-GOSISDBHSA-N 431.558 2.328 0 40 IEAB CNC(=O)c1cccc(NC(=O)[C@H](CCSC)n2c(O)nc3ccccc3c2=O)c1 524734516 MHCGOWWVNAMJAA-KRWDZBQOSA-N 426.498 2.395 0 40 IEAB O=C1CN(C(=O)CN2C[C@@H](c3cccc(F)c3)[C@@]3(CCCC(=O)N3)C2)c2ccccc2N1 585261739 DYSDMTCFHXYPQX-MHECFPHRSA-N 436.487 2.249 0 40 IEAB COCCOCCOCCOCCOCCOCCCCCCCCP(=O)(O)O 606235257 LVZDSZBBOIYSFN-UHFFFAOYSA-N 444.502 2.234 0 40 IEAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 2645244 NAPSNNLSYOIKLQ-INIZCTEOSA-N 446.525 2.454 0 40 IEAB O=C(COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)NC(=O)NC1CCCC1 3374192 ZDRCTEUQQLONGP-HRAATJIYSA-N 449.504 2.028 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(N)=O)n2CC(C)C)c1 4768101 RSSQHDRCYXMGRE-UHFFFAOYSA-N 425.580 2.209 0 40 IEAB C[C@@]1(CSc2ccccc2C(=O)Nc2ccc(N3CCOCC3)cc2)NC(=O)NC1=O 8779716 RNXWQDNZZACKQQ-QFIPXVFZSA-N 440.525 2.466 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CCCc2ccccc21 9491731 SZMYLPRTAPENMN-UHFFFAOYSA-N 445.541 2.107 0 40 IEAB COCCn1c(S[C@H](C)C(=O)NC[C@@H]2CCCO2)nc2sc3c(c2c1=O)CCC3 9568574 RCWAYKJUTWPFQG-OLZOCXBDSA-N 437.587 2.369 0 40 IEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(C)CC(=O)Nc3cc(Cl)ccc3OC)ccc21 9670862 LHRRCFGFDFDMOG-UHFFFAOYSA-N 444.875 2.082 0 40 IEAB COc1ccc(Cn2c(=O)c3cccnc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 9830951 LCVOWQDWBBKADC-UHFFFAOYSA-N 434.427 2.393 0 40 IEAB Cn1c(SCC(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccco1 9911357 KPVHHNQGNRLNKK-MRXNPFEDSA-N 446.554 2.383 0 40 IEAB Cc1nc2ccc(S(=O)(=O)NCCn3nc(-c4ccncc4)ccc3=O)cc2s1 11744849 SRBKXJGTRAFHRR-UHFFFAOYSA-N 427.511 2.202 0 40 IEAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)C2[C@H]3CCCC[C@@H]23)CC1 12229806 HZZJUWRRGHAJJE-XEWABKELSA-N 441.557 2.116 0 40 IEAB Cc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](C)C(=O)NCc1ccccc1 12472648 SXBWSWKGRHFSST-CQSZACIVSA-N 437.525 2.484 0 40 IEAB CNC(=O)[C@@H]1CN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c2ccccc2O1 12752998 ARMVKQWNOKPMKX-FQEVSTJZSA-N 432.480 2.277 0 40 IEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)C1 13069989 XICZWPJBGUOCMI-KRWDZBQOSA-N 445.541 2.298 0 40 IEAB COCCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 13150822 GWCLMJUMOAKDTJ-IBGZPJMESA-N 433.530 2.346 0 40 IEAB CCOc1cc2c(cc1CN1[C@H]3CC[C@@H]1CC(O)(Cn1nc(C)ccc1=O)C3)OCO2 19532390 RTNUJIFDUQMHNW-NHJWOMDBSA-N 427.501 2.237 0 40 IEAB O=C(Cn1nnc2ccccc21)N1CCO[C@]2(CC=CCN(Cc3ccccc3)C2=O)C1 19704466 KVAKKVXIRLIWBD-XMMPIXPASA-N 431.496 2.018 0 40 IEAB CNc1nc([C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)nc2c1CN(C)CC2 19710433 MWIKZRVSPKGRCY-IBGZPJMESA-N 431.562 2.431 0 40 IEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(=O)n(CC(=O)N2CCc3ccccc32)c1 19749283 LJKXZBVBCCALRQ-MRXNPFEDSA-N 447.539 2.149 0 40 IEAB Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](NC(=O)C1CCCC1)C2 19749583 ZVWMOOXGZZDXQR-FQEVSTJZSA-N 444.601 2.332 0 40 IEAB COc1ccc(N2C(=O)NC(=O)/C(=C(\NCCc3cnc[nH]3)c3ccc(F)cc3)C2=O)cc1 25183291 VHFCVXAZBKQNQZ-FMQUCBEESA-N 449.442 2.384 0 40 IEAB COc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CCC3)c1 27663080 LEAOXAXQXUQADP-ZDUSSCGKSA-N 434.539 2.415 0 40 IEAB COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cccc(NC(C)=O)c2)cc1C 28210197 SDBTYCOJXCBPOO-GOSISDBHSA-N 445.497 2.280 0 40 IEAB CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)Nc1cc(F)cc(F)c1 32858365 DCBFFHXFDBLEAO-GOSISDBHSA-N 438.452 2.223 0 40 IEAB CCOC(=O)c1cnn(-c2ccc(C(=O)NCc3cccnc3-n3cncn3)cc2)c1C 40108951 LWOLZYKHXBXXKC-UHFFFAOYSA-N 431.456 2.263 0 40 IEAB C[C@@H]1C[C@@H](C)CN(c2nccn3c(=O)n(CC(=O)NCc4ccccc4Cl)nc23)C1 49400348 TYWCNJZVMUFJEB-HUUCEWRRSA-N 428.924 2.343 0 40 IEAB COc1cc(CN(C)C(=O)C[C@@H]2NC(=O)N(C3CCCCC3)C2=O)cc(OC)c1OC 55104127 VOKANLNUBQZYCI-INIZCTEOSA-N 433.505 2.314 0 40 IEAB CCOC(=O)C1CCN(CC2=C(C(=O)OC)[C@H](c3ccccc3OCC)NC(=O)N2)CC1 67287875 PXQLUFXQUDSNSS-FQEVSTJZSA-N 445.516 2.141 0 40 IEAB COC(=O)/C=C/[C@@H](O)[C@@H](O)CC/C(C)=C/[C@@H]1C=C(C)[C@@H](C)[C@@H]2[C@H](CC(C)C)NC(=O)[C@]12O 72320200 YUXUTEAAGHFKKH-BUPHIHMLSA-N 449.588 2.268 0 40 IEAB biogenic,in-vitro CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)CCc1nn(C)c(=O)c2ccccc12 72324158 CZFBGEHCJFGXGO-QGZVFWFLSA-N 431.496 2.171 0 40 IEAB O=S(=O)(N1CCOCC1)N1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 72371306 OBLZDQWHYRSJLR-HNNXBMFYSA-N 440.953 2.051 0 40 IEAB O=C(c1cn(-c2ccccc2Cl)nn1)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 96005283 RGMVQUXZQTWEHP-HNNXBMFYSA-N 437.953 2.387 0 40 IEAB CC(C)Cn1cnc2ccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cc2c1=O 96116382 QYUGYFNRKAPNCD-IBGZPJMESA-N 433.468 2.132 0 40 IEAB biogenic COc1ccc(CCNC(=O)[C@H](C)N(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1OC 220446975 BWPWWLSWPLHXNQ-ZDUSSCGKSA-N 442.484 2.495 0 40 IEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)Cc1ccccc1F 223442920 ZYGGHRUVNODCIJ-UHFFFAOYSA-N 433.505 2.462 0 40 IEAB CCCc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 223887602 MXTMSHRJRWBJAP-UHFFFAOYSA-N 434.514 2.329 0 40 IEAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 225064106 VJWUUMKFZDRUMH-NRSPTQNISA-N 439.556 2.314 0 40 IEAB COc1cccc(N2C[C@H](NC(=O)c3ccnc(OCC4CCOCC4)c3)CC2=O)c1 245053664 PFQNXUQDOBRIMV-GOSISDBHSA-N 425.485 2.431 0 40 IEAB CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CN(C(=O)c4n[nH]c5c4CCC5)CCO3)c2)cn1 257299584 RQRCAITWHPDCFN-NRFANRHFSA-N 446.511 2.237 0 40 IEAB CCc1ccc(C(=O)N2CC[C@@H]3Cn4c(nn(Cc5ccccc5)c(=O)c4=O)[C@H]3C2)cc1 306142783 XJTLPELMSLJSFY-RTWAWAEBSA-N 430.508 2.275 0 40 IEAB Cc1cc(N2CC[C@@](O)(CNCc3cccc(OCCN4CCCCC4)c3)C2)ncn1 585272203 JMPFPFKWQOEUBW-XMMPIXPASA-N 425.577 2.381 0 40 IEAB CSCC[C@H](NC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1)c1nc(C)no1 1547139704 YFTYCKPJBDWLCW-AWEZNQCLSA-N 437.518 2.394 0 40 IEAB biogenic Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@@H](OC1CCOCC1)c1ccccc1 1636632849 BVDPBAUBGMVELA-MGPUTAFESA-N 433.530 2.093 0 40 IEAB CC1CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)CC1 854173 KPBGPPBUTPVVHU-UHFFFAOYSA-N 431.352 2.342 0 40 IEAB COc1cc2c(cc1OC)[C@H](c1c(O)[nH]c(=O)n(-c3cccc(Cl)c3)c1=O)NCC2 2137379 HVNWKOJCMPRHMS-GOSISDBHSA-N 429.860 2.137 0 40 IEAB biogenic CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 3215921 TYTLONJMAHZPCJ-UHFFFAOYSA-N 432.498 2.445 0 40 IEAB O=C(CN(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCC1 4374296 NPEWFRRZZJYFIR-UHFFFAOYSA-N 426.452 2.160 0 40 IEAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 8736042 TZOUHWWPXQUNCX-INIZCTEOSA-N 440.521 2.030 0 40 IEAB CN(C)c1ccc(NC(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2N)cc1 9130964 YBBXJCQKQUMNSN-KRWDZBQOSA-N 426.502 2.301 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)OCc2nc3ccsc3c(=O)[nH]2)cc1 9465696 TWFUDGWXTJFGLY-OAHLLOKOSA-N 433.511 2.190 0 40 IEAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CSc1ncn[nH]1 9516777 AUWDUVSJNXSDAX-UHFFFAOYSA-N 425.536 2.109 0 40 IEAB CCCn1c(N)c(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c(=O)[nH]c1=O 9703492 IPBOWRDWUFJERP-UHFFFAOYSA-N 431.543 2.387 0 40 IEAB Nn1c(Cc2ccccc2F)nnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 9799382 RHTIDZNWXDIQRI-IBGZPJMESA-N 427.505 2.414 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc4ccccc4[nH]3)CC2)cc1 11226785 HAWQOPQDTJUJKI-UHFFFAOYSA-N 441.509 2.166 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CCCC2)C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@]21O3 12642080 YQLYQETVFQLIKY-PDGNJTGUSA-N 443.588 2.443 0 40 IEAB O=C(CCN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)N1CCc2ccccc21 12775639 LNXQDMLUALSACX-UHFFFAOYSA-N 435.496 2.251 0 40 IEAB COc1cc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1 13041255 SXIDSLYZOGINFO-QGZVFWFLSA-N 447.557 2.346 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)N1CCn2c1nc1ccccc12)C(=O)O 13592388 PAKNQKSBEDREPN-QRTARXTBSA-N 447.561 2.303 0 40 IEAB O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccc3nonc23)CC1 13730384 UILCZGGPKWRGOK-UHFFFAOYSA-N 439.497 2.170 0 40 IEAB CSCC[C@H](C(=O)Nc1cccc(-c2nnnn2C)c1)N1C(=O)c2ccccc2C1=O 14517471 QVHHTFTXUXWQBS-QGZVFWFLSA-N 436.497 2.234 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)NCCc1nc(NC2CC2)ncc1C(=O)N1CCCC1 19697803 QCYLUKOKSRIDCU-UHFFFAOYSA-N 447.536 2.255 0 40 IEAB Nc1ncnc2nc([C@H]3CN(C(=O)C4CN(Cc5ccc(Cl)cc5)C4)CCO3)ccc12 19704798 TXCMXFARVJUINM-LJQANCHMSA-N 438.919 2.292 0 40 IEAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1 20459826 AKJQOMZJLLOLOK-KUHUBIRLSA-N 431.514 2.381 0 40 IEAB CN1C[C@@H](NS(=O)(=O)c2ccccc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 20464448 LNXJEIXMMIROTQ-HOCLYGCPSA-N 428.470 2.189 0 40 IEAB biogenic,in-vitro O=C(c1ccco1)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 20902392 XWLJODFWTZZMKW-UHFFFAOYSA-N 425.485 2.205 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cc1 21933790 BMRFRNDODKYLMU-IBGZPJMESA-N 435.546 2.381 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)N2CCN(CCOc3ccccc3Cl)CC2)cc1 22758804 NNRWKTUEEKKXCV-UHFFFAOYSA-N 438.937 2.216 0 40 IEAB CCOC(=O)c1c(NC(=O)C2CCN(C(=O)OCC)CC2)sc(C(=O)NC)c1C 26889990 WTHKRUHKRTXQET-UHFFFAOYSA-N 425.507 2.400 0 40 IEAB C[C@H]1CN(C(C)(C)CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C[C@H](C)O1 28937160 DLKYPCOUPCTCMF-HOTGVXAUSA-N 443.635 2.153 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C)c4ccccc34)CC2)cc1 32089248 QVSDDEGWCXNXJT-UHFFFAOYSA-N 440.525 2.283 0 40 IEAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 32843606 CFQZOHJIKVIGGJ-SFHVURJKSA-N 432.542 2.241 0 40 IEAB O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 32882671 JTSNUIFTQRTOKE-MRXNPFEDSA-N 442.541 2.039 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)[C@@H](NC(=O)c2cccs2)c2ccccc2)cc1 32909269 DVLAEINNLSMANZ-SFHVURJKSA-N 429.523 2.183 0 40 IEAB O=C(Cn1c(O)nc2c(-c3ccccc3)c[nH]c2c1=O)N1CCN(Cc2ccccc2)CC1 33037998 XCGCUVLPWSKSNR-UHFFFAOYSA-N 443.507 2.442 0 40 IEAB CC(=O)N[C@H](CC(=O)OCC(=O)NC(=O)c1ccc(OC(F)F)cc1)c1cccs1 37136569 PJLYXCCTQVDHIM-CQSZACIVSA-N 440.424 2.417 0 40 IEAB Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)N1CCC(C(N)=O)CC1 39606681 YUDSELJEDUDJBE-UHFFFAOYSA-N 431.514 2.464 0 40 IEAB O=C(CS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cn1)c1c[nH]c2ccccc12 48355893 ZBXFYSDZRUACOP-UHFFFAOYSA-N 433.511 2.004 0 40 IEAB COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)Nc4nccs4)C3)CC2=O)cc1 71819895 UDSFFEIADKPJFK-GJZGRUSLSA-N 428.514 2.382 0 40 IEAB O=C(Nc1cccnc1-n1cc(Br)cn1)c1ccc(F)cc1-n1cnnn1 72405434 AQZIFDLTSAASMB-UHFFFAOYSA-N 429.213 2.397 0 40 IEAB Nc1ncc(Br)cc1S(=O)(=O)NCc1cccnc1OCC(F)(F)F 84358073 HEMMJLOKDFJHIK-UHFFFAOYSA-N 441.229 2.241 0 40 IEAB CN1CCN(C(=O)C[C@@H]2CC3(CCN(C(=O)c4ccnnc4)CC3)c3ccccc32)CC1 96052955 POEPLUHWAMFGJV-HXUWFJFHSA-N 433.556 2.302 0 40 IEAB CCOC(=O)c1ccc(NC(=O)CN2N=N[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@@H]32)cc1 102442370 FBXISWAPYPCUEL-VQTJNVASSA-N 449.467 2.358 0 40 IEAB COc1ccc(N[C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1S(=O)(=O)N1CCOCC1 104896691 IVDAEEGVYHHXKR-BBWFWOEESA-N 439.578 2.021 0 40 IEAB O=C(NC1CCCC1)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1cccc(Cl)c1)S3(=O)=O)O2 107185166 DKXLEFRNOINHGU-HBFSDRIKSA-N 439.965 2.350 0 40 IEAB CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)CC1 108204970 IZHWGEWXDGHMMI-CQSZACIVSA-N 444.395 2.060 0 40 IEAB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 108848557 PSAVKVASRZKACH-VLXJIEOASA-N 447.454 2.220 0 40 IEAB COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)CCc1ccc(S(C)(=O)=O)cc1 206798874 BEJVFQBPWXVWCR-APWZRJJASA-N 449.500 2.383 0 40 IEAB CC(C)Oc1cccc(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)c1 225273726 RLKXZQLIGMGHFW-GOSISDBHSA-N 434.514 2.196 0 40 IEAB CC(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)s1 225324366 UWSIIOMKLFMQNM-UHFFFAOYSA-N 425.536 2.462 0 40 IEAB Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2c(F)cccc2Cl)CC1 238946609 WMMYBJLTOQQYFG-UHFFFAOYSA-N 428.917 2.366 0 40 IEAB COCCN1C(=O)CN(C2CCN(CC(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1=O 245170794 XGSPZHRUDMNDIF-UHFFFAOYSA-N 443.331 2.307 0 40 IEAB O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(Cc1ccccc1)[C@H]3C(=O)NC1CCCCC1 245230057 KVXGJFXNCYBZOS-TXWOCOHRSA-N 449.551 2.065 0 40 IEAB COc1ncccc1-c1ccc2c(c1)S(=O)(=O)N(Cc1cccnc1)Cc1cnnn1-2 306135366 OOTJIALKHMNOLI-UHFFFAOYSA-N 434.481 2.437 0 40 IEAB CCOC(=O)c1c(NC(=O)CN2CCN(C)c3ccccc3C2)sc(C(N)=O)c1C 532546973 OLJMRGVUYOMJRV-UHFFFAOYSA-N 430.530 2.223 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](O4)[C@@H]3C(=O)O)cc2)cc1 4389282 KQWJDELWBIHFNL-RDGPPVDQSA-N 428.466 2.389 0 40 IEAB C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 8753655 AJEQBUIMQVKFTR-JTQLQIEISA-N 438.922 2.082 0 40 IEAB COc1ccc(OCC(=O)NC[C@H]2CN(c3cc(OC)c(OC)c(OC)c3)C(=O)O2)cc1 9105145 IPBDWYZWOKFLRF-KRWDZBQOSA-N 446.456 2.241 0 40 IEAB CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(=O)n(C)c1=O 9254026 TUKJKQCWPYAHEP-UHFFFAOYSA-N 449.920 2.464 0 40 IEAB O=C(CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)Nc1ccc(Cl)cc1 9547952 UXNDJPJQFSQHBL-HNNXBMFYSA-N 435.933 2.496 0 40 IEAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(F)cc1 9634357 PDURWMFQAPEECV-BBRMVZONSA-N 430.404 2.190 0 40 IEAB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Nc1cccc(Cl)c1 11978257 UCWWEYUQUYVMPV-UHFFFAOYSA-N 430.891 2.216 0 40 IEAB Cc1cccnc1[C@@H](Cc1ccsc1)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 12229686 PYJPXWHYLGUDRD-QGZVFWFLSA-N 442.522 2.244 0 40 IEAB CNC(=O)c1nn(CN2CCN(c3cc(Cl)ccc3C)CC2)c(=O)c2ccccc12 12587390 VJWYYRRQQLYTSG-UHFFFAOYSA-N 425.920 2.498 0 40 IEAB Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C(C)(C)C)CC2)cc1C(N)=O 12904391 OWQFCRPBZSMAGZ-UHFFFAOYSA-N 446.573 2.461 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4c(c3)OCCO4)CC2)cc1 12995882 TYEUFZBXNOLSOU-UHFFFAOYSA-N 446.525 2.184 0 40 IEAB C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCCOc1ccc(F)cc1 13121414 YRGSAOVJKCMNFD-YVEFUNNKSA-N 431.869 2.129 0 40 IEAB O=C(CN1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)CC1)Nc1cccc(F)c1 14235220 BXPYLAWMNUQDDY-UHFFFAOYSA-N 438.503 2.345 0 40 IEAB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(OC)cc1 16682381 LEGXKDBOXVHHQL-LVSKKATPSA-N 435.505 2.202 0 40 IEAB COCCNC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 17051386 RNELXKXRKUKRDX-KRWDZBQOSA-N 442.541 2.451 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)[C@H]3CC=CCC3)[nH]c2=O)C1 19404951 KFNMUIFFUZOTLH-JXFKEZNVSA-N 433.512 2.383 0 40 IEAB COc1ccc(-c2nnc3n2[C@H]2CCCC[C@H]2N(C(=O)CN2CCCC2=O)C3)cc1OC 19561644 DPTZCCCGWKSFDX-SJORKVTESA-N 439.516 2.411 0 40 IEAB CCOC(=O)C1=C(C)[C@@H]2C(=O)NC(CN3CCc4cc(OC)c(OC)cc4C3)=N[C@@H]2S1 20548924 DFCGTMVAIPVROJ-WIYYLYMNSA-N 445.541 2.116 0 40 IEAB O=C(CN1CCN(Cc2ccsc2)CC1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 22799357 YXESQAOLQIFKMO-NRFANRHFSA-N 447.626 2.082 0 40 IEAB COc1ccc(CN2CCN(CC(=O)NCc3cc(OC)c(OC)c(OC)c3)CC2)cc1 23303948 KULFMJJTYJNSFD-UHFFFAOYSA-N 443.544 2.155 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)OC 25666150 VVZDIVZRLUHQKF-KPFFTGBYSA-N 449.548 2.148 0 40 IEAB O=C(CN1CCN(C(=O)/C=C/c2cn(Cc3ccccc3)nn2)CC1)Nc1ccc(F)cc1 57270864 KGWCSDQPILZXIU-ZHACJKMWSA-N 448.502 2.262 0 40 IEAB O=C(Cn1nc(-c2ccco2)ccc1=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70655867 QJMHNSJVVREIHA-UHFFFAOYSA-N 442.479 2.309 0 40 IEAB CCCCOC(=O)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 72303212 ZNUGUUBDJPCRNT-MRXNPFEDSA-N 436.574 2.424 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(-n3ccnc3C)n2)cc1 72378754 JNPSQNQWEHUYPB-LJQANCHMSA-N 426.502 2.455 0 40 IEAB COC(=O)c1ccc(OC[C@@H](O)CNC[C@@H](c2ccc(OC)cc2)N(C)C)c(OC)c1 96662931 OVCMXLHEZOJXCB-ICSRJNTNSA-N 432.517 2.123 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3c(F)c(F)cc(F)c3F)C(=O)[C@@H]21)Nc1cccc(F)c1 102001374 BODXOKUFFXGOPP-GOEBONIOSA-N 439.300 2.314 0 40 IEAB CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(C)S(C)(=O)=O 222819655 ARQGXZUNBSOPEJ-HNNXBMFYSA-N 431.986 2.111 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 223031325 XBBJTUFCXJBJIC-HXUWFJFHSA-N 449.548 2.454 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223048563 UQIVFXIMGFUDIL-NRFANRHFSA-N 445.585 2.477 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223077752 NMPBOQQBMOLQJH-LJQANCHMSA-N 449.548 2.454 0 40 IEAB CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCC3(O)Cc4ccccc4C3)cc21 225717543 MQBDOCZVYNYQQN-UHFFFAOYSA-N 435.524 2.206 0 40 IEAB CN1c2ccccc2N(CCNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)S1(=O)=O 245188074 ZZFCADNLUFRYAZ-UHFFFAOYSA-N 449.476 2.326 0 40 IEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCC(=O)N1CCCCC1)NC2=O 247934340 GPJNWSOXGIIADN-JENQJIHHSA-N 441.528 2.079 0 40 IEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCCN1CCCC1=O)[C@@]1(C2)NC(=O)c2ccccc2O1 253596141 NQGZVQNOPRBKND-KVOAMPFWSA-N 425.529 2.460 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 260828741 CTZHSYBLIPNGIN-AOMKIAJQSA-N 444.509 2.484 0 40 IEAB Cc1ccccc1CN(c1ccc(C(=O)NCCN2CCOCC2)cc1)S(C)(=O)=O 408630057 MUKCUYHTYQEDRG-UHFFFAOYSA-N 431.558 2.023 0 40 IEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 409099819 UHYJWGKOYIREJQ-UGZWPXFQSA-N 429.834 2.410 0 40 IEAB C[C@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 589055656 JXKMCSHEHYZXNW-QWHCGFSZSA-N 434.480 2.039 0 40 IEAB C[C@H]1Cc2ccccc2N1C(=O)CS(=O)(=O)Cc1cc(=O)n2cc(Cl)ccc2n1 616030581 BFZDVGRFZRPRFR-ZDUSSCGKSA-N 431.901 2.241 0 40 IEAB Cc1cc(O)nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@H]3CCS(=O)(=O)C3)cc12 1167383866 GDHBGNDZPYLUKJ-BBWFWOEESA-N 445.541 2.297 0 40 IEAB O=S(=O)(NCC1(N2CCOCC2)CCSCC1)c1ccc(Br)s1 1776009048 SJSZOBNOFQPBEM-UHFFFAOYSA-N 441.438 2.387 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O 8726695 OUCYQDSDDIPJPB-UHFFFAOYSA-N 438.532 2.207 0 40 IEAB CC(C)CN(C(=O)COC(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 9049338 UIRLMCQTWPIQHW-HNNXBMFYSA-N 432.336 2.278 0 40 IEAB CN(C(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)[C@@H]1CCS(=O)(=O)C1 9435363 FNXYYDFORQUDEQ-OAHLLOKOSA-N 443.477 2.190 0 40 IEAB biogenic CCCN1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccccc3)c2C(N)=O)C1 9599597 ZGNMWTJHAOQWLH-UHFFFAOYSA-N 435.571 2.418 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1 11697573 OLSMDRULSLZABY-UHFFFAOYSA-N 426.502 2.135 0 40 IEAB Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1 12166395 YMCWBKMCYZIFCI-UHFFFAOYSA-N 439.443 2.295 0 40 IEAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)c1ccc2c(c1)n(C)c(=O)n2C 12276174 SBYPDMSODHHTRH-HNNXBMFYSA-N 437.525 2.371 0 40 IEAB COc1ccccc1NC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2CCN(C(C)=O)CC2)C1 12481463 SKKLHVOAGKJBGG-OALUTQOASA-N 446.548 2.194 0 40 IEAB biogenic,in-vitro COc1cc(OC)c([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC 12507610 HOLGMIPPLZJUFX-IBGZPJMESA-N 425.445 2.320 0 40 IEAB CCN(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 12745669 ZLNXVGDJZVVCNF-OFNKIYASSA-N 441.553 2.143 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1Cl 13495514 BNXVVRHCQNOTPJ-NSHDSACASA-N 426.878 2.425 0 40 IEAB CCC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 13503105 VRVOCMVFSVDISE-UHFFFAOYSA-N 439.509 2.031 0 40 IEAB CN(C)CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 13677785 KMMIKDQTVTUNFL-IBGZPJMESA-N 437.949 2.364 0 40 IEAB CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 14291835 DLZNEWYNNTVWNE-UHFFFAOYSA-N 438.546 2.285 0 40 IEAB CC1(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(S(C)(=O)=O)C3)CCCCC1 19461187 AVPFFKVHCPAFSA-KRWDZBQOSA-N 436.578 2.112 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@]1(CCC(=O)N(CC(=O)N3[C@@H](C)CCC[C@H]3C)CC1)O2 19496047 BTQSDYHYQXYZMK-XVTZWQNCSA-N 443.544 2.358 0 40 IEAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)[C@H]2CC(=O)N(C)C2)CCO1 19587319 FLELXEPLAMAUKI-BKMJKUGQSA-N 449.551 2.060 0 40 IEAB COCCN(C(=O)c1cccc([C@@H]2CCc3nnc(C)n3C2)c1)C1CCN(C(C)=O)CC1 19698219 HPTAXGWJPNUTKU-OAQYLSRUSA-N 439.560 2.416 0 40 IEAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 20006839 UHCBVQSKAJOAPL-OALUTQOASA-N 432.542 2.188 0 40 IEAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@@H]3c1ccccn1 20308301 NRZAKYDEVQWCSQ-OAQYLSRUSA-N 435.480 2.464 0 40 IEAB COc1cccc(CNC(=O)Cc2cc(O)nc(SCC(=O)NC3CCCC3)n2)c1 22629608 YEGXBECACPLRTL-UHFFFAOYSA-N 430.530 2.201 0 40 IEAB O=C(CSc1nnnn1-c1ccc(O)cc1)N1CCN(C/C=C/c2ccccc2)CC1 23873169 GPDAJHOJUGSSDE-QPJJXVBHSA-N 436.541 2.318 0 40 IEAB CCOc1c(Br)cc(Cl)cc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1 25070619 YYMXRPUKMSRJCJ-SNVBAGLBSA-N 425.732 2.216 0 40 IEAB CN1CCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3O2)CC1 26113756 NYRGFHXUIANEQX-IBGZPJMESA-N 435.933 2.070 0 40 IEAB C[C@H]1C[C@@H](OC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)C(=O)O1 32736377 MKWQZKTYUSNPTJ-OXJNMPFZSA-N 444.509 2.058 0 40 IEAB COc1cc(OC)c(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1NC(C)=O 36054961 ZRIPGDAFLADHRH-UHFFFAOYSA-N 425.551 2.301 0 40 IEAB CCN1CCN(Cc2ccccc2CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 40107979 BEDBXWBLQUKIRL-QHCPKHFHSA-N 441.620 2.368 0 40 IEAB O=C(N[C@H](Cc1ccccc1)C(=O)O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 41058357 HRHMSDBNJRDUJU-MOPGFXCFSA-N 434.489 2.181 0 40 IEAB O=C(Nc1cccnc1-n1cccn1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 48331784 FHGQKAAARPLLKS-UHFFFAOYSA-N 444.492 2.381 0 40 IEAB COc1cc(OC)cc(N2C(=O)[C@H]3N=NN(Cc4nc(-c5ccccc5)no4)[C@H]3C2=O)c1 49422335 BLSIYFGHEHLTRV-ZWKOTPCHSA-N 434.412 2.247 0 40 IEAB COC(=O)C1=C(CN2CCN(c3ccccc3OC)CC2)NC(=O)N[C@@H]1c1cccs1 57415954 WYIOPVARLIZPST-HXUWFJFHSA-N 442.541 2.360 0 40 IEAB Cc1nnsc1C(=O)N1CCC2(CC1)C[C@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325530 VJJBYPMUFKYOSG-LJQANCHMSA-N 433.921 2.447 0 40 IEAB CC[C@H](c1nnnn1C[C@H]1CCCO1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O 95202030 JDYAUOCAFGPZME-TZIWHRDSSA-N 440.548 2.338 0 40 IEAB COC(=O)CC[C@@H](NC(=O)N1CCc2nc[nH]c2[C@@H]1c1cccc(Cl)c1)C(=O)OC 95482735 UIDPEWTZKKKZDR-QAPCUYQASA-N 434.880 2.215 0 40 IEAB COc1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(Cl)cc4)nn3c2=O)cc1OC 95951228 FKKIKGFBQQNYPB-WOJGMQOQSA-N 441.896 2.320 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 223429936 RZAJDBCYTFMSFQ-HXUWFJFHSA-N 447.557 2.015 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N3CCN(C)CC3)c2)c1 223675752 VDHKLKYTFAHUEE-UHFFFAOYSA-N 437.587 2.349 0 40 IEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(N2CCCC2=O)c1 224426364 AIXHLANJMPPOOQ-MRXNPFEDSA-N 445.541 2.293 0 40 IEAB O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)s1)c1ccccc1 225631195 LRMAWLPMBGLJKC-UHFFFAOYSA-N 442.482 2.319 0 40 IEAB CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 408584768 UWHUGCMEILHMFY-UHFFFAOYSA-N 448.497 2.129 0 40 IEAB C[C@@H](Oc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1)C(=O)N1CCOCC1 408593234 LXWHABKIRRGVRH-OAHLLOKOSA-N 438.933 2.445 0 40 IEAB COc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2)C1 408656699 OBSMHZXBQKFRNY-AWEZNQCLSA-N 445.859 2.024 0 40 IEAB CO[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](N(C)C(C)=O)[C@H]1OC(=O)c1ccccc1 5081305 MEOHSCVFABBNRA-VAWZGJIGSA-N 427.453 2.287 0 40 IEAB COc1ccc(N2C(=O)c3ccc(C(=O)NN4C(=O)c5ccccc5C4=O)cc3C2=O)cc1 8895607 RCOXZWWRJBPKMM-UHFFFAOYSA-N 441.399 2.437 0 40 IEAB Cc1c(NC(=O)CSc2nnnn2Cc2cccs2)c(=O)n(-c2ccccc2)n1C 9463682 UHBKVOXSLHUSBV-UHFFFAOYSA-N 441.542 2.312 0 40 IEAB COc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)cc3)c(=O)[nH]2)c1 9518056 AKFSRCWQRBRJSF-UHFFFAOYSA-N 443.460 2.483 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 9590923 GWEHQJMTCITRDF-UHFFFAOYSA-N 426.516 2.289 0 40 IEAB CCOc1ccccc1Nc1nnc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)s1 9612522 GUUULNCVKBDAFH-NSHDSACASA-N 428.561 2.076 0 40 IEAB COC(=O)C1=C(CS(=O)(=O)c2ccc(Cl)s2)NC(=O)N[C@H]1c1ccc(O)cc1 10273624 VMKUDJZUZGRRFO-HNNXBMFYSA-N 442.902 2.362 0 40 IEAB CN(C)c1nc(N)nc(COC(=O)c2ccccc2OCC(=O)Nc2ccccc2F)n1 11253997 MQEMUQLFEILLJL-UHFFFAOYSA-N 440.435 2.033 0 40 IEAB CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(C(=O)OC)cc4)ncn3n2)cc1 11666428 HZMPRSIQORAIJZ-UHFFFAOYSA-N 447.451 2.382 0 40 IEAB C[C@@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2)C1=O 11904068 OWTFGRQSFOERGM-CYBMUJFWSA-N 431.495 2.348 0 40 IEAB COCCCn1c(C(=O)N2CCC(C(=O)OC)CC2)cc2c(=O)n3cccc(C)c3nc21 12421603 IBTKZFWQRAGHDQ-UHFFFAOYSA-N 440.500 2.019 0 40 IEAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 12798798 MBYHLWPMHOOCEA-FQEVSTJZSA-N 435.496 2.291 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2cnn(-c3ccccc3)c2)NC(=O)N[C@H]1c1ccco1 12867568 SQEOZTZRZMAGFH-IBGZPJMESA-N 436.424 2.493 0 40 IEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 12871756 CVNIWNJLYLYPHB-AWEZNQCLSA-N 445.497 2.084 0 40 IEAB C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 12904665 JYDVMRKAXGECKX-HNNXBMFYSA-N 449.504 2.374 0 40 IEAB O=c1n(C[C@H](O)CN2CCCCCC2)c2ccccc2n1C[C@H](O)CN1CCCCCC1 13511416 BSUSMYWZSLCNQN-FGZHOGPDSA-N 444.620 2.277 0 40 IEAB CCOc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(CC)cc1)CN=3)C(=O)N2 13687089 RNOHTMDITILOCF-VXPUYCOJSA-N 434.521 2.077 0 40 IEAB O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(N2CCOCC2)cc1 14871046 CJIOBYBIAIPTOY-UHFFFAOYSA-N 432.498 2.097 0 40 IEAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(I)c(O)c(OC)c1 15015933 JOKOJTYPACVODV-GFCCVEGCSA-N 432.214 2.149 0 40 IEAB CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 16692403 GXQIDXDWEVSAIX-UHFFFAOYSA-N 446.953 2.161 0 40 IEAB COc1cc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[nH]3)c2C)cc(OC)c1OC 16849632 XVEIFVVMKVFSNE-UHFFFAOYSA-N 441.488 2.478 0 40 IEAB CNC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)n2N)cc1 18529439 JWUTVVALMICOSW-UHFFFAOYSA-N 448.455 2.351 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@H]1c1cnn(C)c1C 19637347 RJDKWSJBTWIFQE-WBNHJWIASA-N 442.928 2.104 0 40 IEAB CC(=O)NCc1ccc([C@H]2CN(C(=O)CCCN3CCCCCC3)C[C@@H]2C(N)=O)cc1 19698738 NCASIDMUMVWUNF-YADHBBJMSA-N 428.577 2.006 0 40 IEAB CCCN1CCC2(CC1)NC(=O)N(C1CCN(C(=O)c3ccccc3OCC)CC1)C2=O 19699349 PZFYULYUWJAZFB-UHFFFAOYSA-N 442.560 2.486 0 40 IEAB Cc1nc(C2CCN(C(=O)[C@H]3CC(=O)N(C)C3)CC2)nc2c1CCCN2Cc1ccccn1 19705689 MTFRKYCEYIYQJW-IBGZPJMESA-N 448.571 2.317 0 40 IEAB Cc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)CCC4)C2=O)cc1 21375942 YDHLTGYFONHWOC-RUZDIDTESA-N 448.523 2.348 0 40 IEAB CC(C)C(=O)N1CCN([C@@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)CC1 25436448 FUNOQGQRFALNEJ-FGZHOGPDSA-N 427.570 2.431 0 40 IEAB COCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1Cl 26537169 GLGZGHWRDYDIFR-UHFFFAOYSA-N 426.878 2.304 0 40 IEAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 32998247 ZVPNTHWDMIHJRK-UHFFFAOYSA-N 427.482 2.096 0 40 IEAB C[C@H]1CN(CCCNC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 48332476 BUQZFYRCHPHTNZ-GJZGRUSLSA-N 445.391 2.479 0 40 IEAB CN(CC(=O)NCc1cccc(OCC(F)(F)F)c1)C1=NS(=O)(=O)c2ccccc21 58954213 JJYLCFNJFUBGCF-UHFFFAOYSA-N 441.431 2.325 0 40 IEAB O=C(CN1C(=O)S/C(=C2/SC(=O)NC2=O)C1=O)Nc1ccc(Br)cc1 65090542 DCMFYUPURZPQKM-MDZDMXLPSA-N 442.272 2.278 0 40 IEAB Cc1csc(NC(=O)COC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)n1 71804342 WHSHQRRXHDNKRR-UHFFFAOYSA-N 436.534 2.460 0 40 IEAB C[C@@H]1CCc2onc(C(=O)N3CCC([C@H]4Nc5ccccc5S(=O)(=O)N4)CC3)c2C1 72338842 XKCHOYPFAVTTPZ-XCLFUZPHSA-N 430.530 2.382 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)CC2)cc1 79494995 HORQXMOKTWANJQ-AVRDEDQJSA-N 436.574 2.250 0 40 IEAB COC(=O)Cc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)nc2Br)c1 83962545 WUXWBEQBJPKAKN-UHFFFAOYSA-N 445.291 2.378 0 40 IEAB CCc1cnc(N2CC[C@@H]3Oc4ccccc4S(=O)(=O)N(CCN(C)C)[C@H]3CC2)nc1 96145907 DGYJUJPVEPQYFZ-OALUTQOASA-N 445.589 2.021 0 40 IEAB COc1ccc(OC)c(N([C@H](C)C(=O)NCCOc2ccc(C)cc2)S(C)(=O)=O)c1 220219650 SXWFCVDXCPMCLJ-MRXNPFEDSA-N 436.530 2.362 0 40 IEAB C[C@@H](C(=O)NCCN1CCOCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1 222930707 DYFQAHFIBNIWNX-IBGZPJMESA-N 443.519 2.070 0 40 IEAB COc1ccc(CNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1OC 225161996 JTNIKIVASKPDRN-UHFFFAOYSA-N 434.499 2.286 0 40 IEAB COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1 225191047 KMRBZEDUXPHBEA-ZDUSSCGKSA-N 448.497 2.405 0 40 IEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(N2c3ccccc3N(C)S2(=O)=O)CC1 390831048 PHWJHXNJMSJHEJ-BTYIYWSLSA-N 443.525 2.407 0 40 IEAB COc1ccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2cc(C)ccc2OC)cc1OC 408557252 FZRIWPWPGOXJJW-HNNXBMFYSA-N 436.530 2.047 0 40 IEAB COc1ccc(CN(C)S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1 408596899 UBLVWQCNFWCQEL-KRWDZBQOSA-N 448.541 2.142 0 40 IEAB Cc1cccc(N2CCN(C(=O)CN(CCc3ccccc3)S(C)(=O)=O)CC2)c1C 408619392 HOBGCPBGXUHXSQ-UHFFFAOYSA-N 429.586 2.456 0 40 IEAB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc(Br)cc1 408656566 FPVAKASDQJOARY-GNTOHDJUSA-N 449.301 2.352 0 40 IEAB COC(=O)c1cccc([C@H](C(=O)OC)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 553977968 VQTDYJWDXRUFFW-JBYIUTFZSA-N 438.480 2.196 0 40 IEAB COc1cc(CN(C)C[C@H](O)COc2ccccc2)ccc1OCCN1CCOCC1 585272686 LWXALSSGOLFYRW-NRFANRHFSA-N 430.545 2.278 0 40 IEAB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3C(=O)c2ccccc2S(=O)(=O)C(F)F)CN(C)C1=O 1888878946 KVAPBVCXBHVYFT-IPHUQCIHSA-N 442.484 2.066 0 40 IEAB NS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C[C@@H]2CCCO2)cc1 933116 LAVAFRGRKADEKZ-HNNXBMFYSA-N 444.962 2.357 0 40 IEAB CSc1ccc(OC(=O)[C@H](C)NC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)cc1 5201566 UTPMZVGGVNZEHT-KBXCAEBGSA-N 432.498 2.106 0 40 IEAB O=C([C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1)N1CCCC1 8746235 XJNXICWBWDFBAD-NRFANRHFSA-N 430.526 2.450 0 40 IEAB COc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)cc1 9303269 XLWICKSFFYSNRG-GOSISDBHSA-N 445.541 2.371 0 40 IEAB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 9439060 GNCSDCJYDDXNEV-KBXCAEBGSA-N 434.489 2.230 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1 9844638 LZSRXGKOPXVCGK-UHFFFAOYSA-N 445.472 2.205 0 40 IEAB CCn1c(=O)n(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)c2ccccc21 10411253 PWBAYDCZCYWEJR-UHFFFAOYSA-N 430.530 2.410 0 40 IEAB Cc1cc(-c2nnc(NC(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)o2)nn1C 12443143 FOPLEQKEEJLGOQ-ZDUSSCGKSA-N 436.519 2.022 0 40 IEAB C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C)c1ccc(-n2ccnc2)cc1 12580529 ZTQWLSQHKJVLBT-MRXNPFEDSA-N 427.530 2.486 0 40 IEAB COc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1S(=O)(=O)NC1CC1 13163669 BPOCQFMKPZDBLU-UHFFFAOYSA-N 435.571 2.155 0 40 IEAB Cc1occc1-c1nnc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)n1C 13163914 LTVABZXWOYOPEP-HNNXBMFYSA-N 438.575 2.434 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC)c(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 13250902 OGMXDRFJJYTRJB-UHFFFAOYSA-N 441.531 2.258 0 40 IEAB CC[C@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]12 15305398 VHFZKDXVPXFEJP-QHYAIYAISA-N 432.480 2.004 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@@H](C[C@H]3NC(=O)c3cc(C(C)(C)C)nn3C)C2)cc1 19211689 UWQWPOBMJQLCBO-CGTJXYLNSA-N 430.574 2.465 0 40 IEAB O=C(c1cccs1)N1CCc2nc([C@H]3CCCCN3C(=O)c3cc[nH]n3)[nH]c(=O)c2C1 19342730 OLNBQTXCHGMGOD-MRXNPFEDSA-N 438.513 2.120 0 40 IEAB CN1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)COc3ccccc3F)nc2)CC1 19708174 IOQQBRQHDHJRMU-HXUWFJFHSA-N 426.492 2.351 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)c(C)c1 21817055 YLPZERAQWVGVMF-LJQANCHMSA-N 445.516 2.081 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(C)n3)CC2)c(C)c1C 23144447 FIDGDVDLWHULJZ-UHFFFAOYSA-N 442.545 2.107 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)NCc3cccnc3N3CCOCC3)CC2)c(F)c1 26387029 VOLKAVSWUUBYQY-UHFFFAOYSA-N 441.507 2.292 0 40 IEAB O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)NCCc1cccc(Cl)c1 29142618 KESLRPMXTJXSRU-NRFANRHFSA-N 443.931 2.125 0 40 IEAB CS(=O)(=O)N1C[C@H](C(=O)N2CCN(C/C=C/c3ccccc3)CC2)Oc2ccccc21 30944726 FAPOWMQSRJMUAF-HWWNHIDJSA-N 441.553 2.071 0 40 IEAB CC(=O)Nc1cc(C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)ccc1C 48332909 OUOGGRGXESFBGF-UHFFFAOYSA-N 429.521 2.344 0 40 IEAB COc1ccccc1CNC(=O)Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2 49546001 QHKGMWCFSQDLDG-UHFFFAOYSA-N 427.848 2.012 0 40 IEAB COc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)c(OC)c1 67235224 DGJKMBSAMWXBJV-UHFFFAOYSA-N 448.479 2.362 0 40 IEAB Cn1ccnc1CN1C(=O)CO[C@H](c2ccc(NC(=O)CCc3ccccc3)cc2)[C@H]1CO 72321490 GJSICFJHDULZOZ-PXDATVDWSA-N 448.523 2.452 0 40 IEAB biogenic,in-vitro COc1ccc(OC)c(CN2C[C@H](C(=O)N(C)C)[C@]3(CCc4ccccc4C(=O)N3)C2)c1 72334356 FQJCJHRQIUFSAC-BWKNWUBXSA-N 437.540 2.339 0 40 IEAB O=C(NCc1ccc(Br)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 78611588 GINGFWNGXCUDHC-UHFFFAOYSA-N 439.331 2.400 0 40 IEAB CN1CCN(C(=O)Nc2cccc(N3CCOC3=O)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 79076056 XZARIVRHRJKGDL-KRWDZBQOSA-N 433.509 2.316 0 40 IEAB CS(=O)(=O)N1CCC(C(=O)N2CCN(c3nc(-c4ccsc4)cs3)CC2)CC1 96099881 AMKZVJJDGQAKGF-UHFFFAOYSA-N 440.616 2.192 0 40 IEAB O=C(N1CCOCC1)N1CC[C@@]2(C1)c1ccccc1S(=O)(=O)N2Cc1ccc(F)cc1 96261949 XYXADFUNIBJEEN-JOCHJYFZSA-N 445.516 2.383 0 40 IEAB COc1cc(/C=c2/sc3nc(Cc4ccccc4)nn3c2=O)cc(OC)c1OC(C)=O 98002366 FFVNLFRAWAIGSV-WOJGMQOQSA-N 437.477 2.232 0 40 IEAB C[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(I)cc1 108157942 MMCJYQRUFIUEIT-BXUZGUMPSA-N 436.315 2.264 0 40 IEAB O=C(O)COCC(=O)N[C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2ccccc2)[C@@H]1O 257323244 WJHRTAPKGATHFY-RADWXHQJSA-N 433.432 2.496 0 40 IEAB COC(=O)c1cn([C@H]2CCN(C(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)C2)nn1 612839725 LJAUQQDEIVMAHM-QMMMGPOBSA-N 425.323 2.018 0 40 IEAB O=C(N[C@@H]1CCO[C@@H](c2ccncc2)C1)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1556652425 HFTPTXVXYWIIPU-MXEMCNAFSA-N 425.485 2.190 0 40 IEAB O=C1C[C@@H](Cn2ccn(-c3ccc(F)c(F)c3)c(=O)c2=O)CN1Cc1ccc(F)cc1 2298136760 SPTAQNIYDGCHHK-HNNXBMFYSA-N 429.398 2.465 0 40 IEAB COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCOC(C)C)ccc3c2=O)cc1 4791482 IZDWYPVPCRAGCE-UHFFFAOYSA-N 425.485 2.292 0 40 IEAB COc1cc([C@@H]2c3cc4c(cc3O[C@]3(OC)COC(=O)[C@H]23)OCO4)cc(OC)c1OC 5941919 YHXBZXBIGHSHTP-XQBPLPMBSA-N 430.409 2.481 0 40 IEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC[C@@H]1c1ccc3c(c1)OCCO3)C2=O 9058130 XCYJUEWBMQWNSB-FXVOITISSA-N 442.516 2.127 0 40 IEAB O=C([C@H](Cc1c[nH]c2ccccc12)n1c(O)nc2ccccc2c1=O)N1CCC[C@@H]1CO 9136079 UBLSWCSNWVECMC-IERDGZPVSA-N 432.480 2.351 0 40 IEAB biogenic Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 9730036 OEEXJSFHZBTANK-UHFFFAOYSA-N 437.529 2.390 0 40 IEAB CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9902340 JUUHDSHPTVSTKJ-OAQYLSRUSA-N 439.537 2.286 0 40 IEAB CCN(C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 10958210 XXHUDVOFUFNPOI-UKRRQHHQSA-N 435.571 2.248 0 40 IEAB O=C(COC(=O)Cc1ccc(N2CCCC2=O)cc1)Nc1cccc(C(=O)NC2CC2)c1 11201717 BRLGOPCYHQDUDN-UHFFFAOYSA-N 435.480 2.430 0 40 IEAB C[C@@H](CNC(=O)CN1CC[C@]2(CCC1=O)CNC(=O)c1ccccc1O2)c1ccccc1 12086613 LOMNMTWZMQALES-AVRWGWEMSA-N 435.524 2.480 0 40 IEAB O=C(Nc1nnc(-c2ccno2)o1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12234546 ONRVVLGYKSXSNI-UHFFFAOYSA-N 443.894 2.479 0 40 IEAB COCCn1c(C)cc(C(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c1C 12861958 ZZKZZFNIAUEXJX-UHFFFAOYSA-N 428.894 2.092 0 40 IEAB O=C(CN(C[C@@H]1CCCO1)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1 13501268 WWEZZZQEMYKBPL-FQEVSTJZSA-N 438.528 2.167 0 40 IEAB CCCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C[C@@H](O)COc1ccccc1Cl 16839466 IFDRDOKAPYAKQA-CQSZACIVSA-N 449.939 2.129 0 40 IEAB CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2cc(OC)c(OC)c(OC)c2)c1C 17287718 UAHSVAKANLUCAP-UHFFFAOYSA-N 425.507 2.245 0 40 IEAB CC(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(CCc4ccccc4)CC3)C2=O)C1 19699961 KDJILJSFNBEMRI-FQEVSTJZSA-N 426.561 2.263 0 40 IEAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@@H]3c1ccncc1 20308394 OTTXWDGPBMQPOA-OAQYLSRUSA-N 435.480 2.464 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccccc2OC)cc1 22229110 CSVVQDQRXVNQLC-UHFFFAOYSA-N 433.530 2.023 0 40 IEAB CN1C(=O)COc2ccc(NC(=O)C(=O)NCCc3c[nH]c4ccc(Cl)cc34)cc21 40266686 LOEUUXVZWFVDPZ-UHFFFAOYSA-N 426.860 2.474 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCCN3C(=O)CCCC3=O)cc2)c1 72305418 FQNNOZFURGXAND-UHFFFAOYSA-N 443.525 2.373 0 40 IEAB CNC(=O)[C@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)Cc2c[nH]nc2O)CCO1 72389149 MTCJTAIZGLROON-VWLOTQADSA-N 448.523 2.220 0 40 IEAB COC(=O)[C@@](C)(c1ccccn1)N(C)C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 95462366 IUJRZDGZNVBRJH-WAIKUNEKSA-N 425.485 2.298 0 40 IEAB Cc1ccn2ncc(C(=O)N[C@H](CC(C)C)CN(C)C(=O)c3cnn4ccc(C)nc34)c2n1 95976613 UHXIVFCKYQGSHU-QGZVFWFLSA-N 448.531 2.306 0 40 IEAB COC(=O)C[C@H](c1ccc(OCCn2cccn2)cc1)c1c(O)nc2ccccn2c1=O 96117793 WWTKTRZVAJIHCU-GOSISDBHSA-N 434.452 2.371 0 40 IEAB COCCn1/c(=N/C(=O)CN2C(=O)c3ccccc3C2=O)sc2cc(OC)ccc21 100873158 OSZOUIDQDBPMBQ-DQRAZIAOSA-N 425.466 2.081 0 40 IEAB CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(CO)CO 102185326 OCYWGBZEVKVWBQ-PQGWWSFGSA-N 426.550 2.063 0 40 IEAB COC(=O)[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c2ccccc2O1 222849165 ODUFWHZJROKUMK-FQEVSTJZSA-N 446.525 2.273 0 40 IEAB CCOc1cc(CNS(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)ccc1OC 223151409 SKUGWGYCXFKXEO-UHFFFAOYSA-N 428.536 2.409 0 40 IEAB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1nc(-c2ccccc2)no1 223565767 OXPKIVBJXIVQPN-AWEZNQCLSA-N 430.486 2.216 0 40 IEAB Cc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl 224138188 RWNZUTGAYVMDHV-UHFFFAOYSA-N 440.905 2.338 0 40 IEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2nc(-c3ccccc3)no2)cc1 225157573 KHVIYUKSQHKOON-UHFFFAOYSA-N 432.527 2.395 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O 225387754 AXKJGEZEQHJZMN-OAHLLOKOSA-N 437.949 2.269 0 40 IEAB Cc1nn2c([C@@H]3CN(C(=O)CC4CCCC4)CCO3)ccnc2c1CN1CCC(O)CC1 257291527 QHJGGPUITBERBQ-QFIPXVFZSA-N 441.576 2.475 0 40 IEAB Cc1ccnc(OC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2cc4c(s2)CCC4)C3)n1 306132101 KYKRGWXWYFCEKH-OAHLLOKOSA-N 433.555 2.044 0 40 IEAB CCCCNC(=O)N1CC[C@H](NCc2ccccc2)[C@]2(CC(C(=O)N3CCCC3)=NO2)C1 306133656 MSJLLACBIZQHRB-URXFXBBRSA-N 441.576 2.498 0 40 IEAB C[C@@H](Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1)C(=O)N1CCOCC1 408612090 YHVJVXZKQQGYGP-CYBMUJFWSA-N 426.441 2.392 0 40 IEAB O=C(O)c1cc(S(=O)(=O)N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)ccc1F 585396737 ARSDIGWXQPQPJS-KRWDZBQOSA-N 445.465 2.214 0 40 IEAB COc1ccc(-n2nnnc2SCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 928694 LRGJZLXBYLOJNX-UHFFFAOYSA-N 429.502 2.139 0 40 IEAB O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCn2c1nc1ccccc12 6095037 HTQGEGFLZYGULH-UHFFFAOYSA-N 446.916 2.371 0 40 IEAB C[C@H](Oc1ncnc2ccccc12)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 8694055 LILZNUGXGNIYTE-HNNXBMFYSA-N 442.497 2.057 0 40 IEAB O=C(O)c1ccccc1C(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1cccnc1 9060986 GYOAMXXPMANYBX-UHFFFAOYSA-N 431.514 2.238 0 40 IEAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9219344 LLWREMWNMVBJBK-INIZCTEOSA-N 441.962 2.478 0 40 IEAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)c1C 11228864 QNOUUEBTNHZPPP-UHFFFAOYSA-N 435.546 2.202 0 40 IEAB COc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)N2CCCCC2)cc1 12568779 GPNKHEDVBNHLLC-XXBNENTESA-N 428.533 2.059 0 40 IEAB O=C(/C=C/c1ccccc1)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O 12769829 OOLKKDKBVOVMGX-DHZHZOJOSA-N 443.525 2.335 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2ccc(Cl)cc2)cc1 13671004 UPIUVHILNSAHAW-UHFFFAOYSA-N 435.933 2.144 0 40 IEAB CCCC(CCC)C(=O)N1CCNC(=O)[C@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164424 GZKXLKJIKIQDRB-OAQYLSRUSA-N 428.577 2.269 0 40 IEAB CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)n(C)c1 14404558 BZUZBVAFKXNAIL-IBGZPJMESA-N 447.536 2.448 0 40 IEAB COc1ccccc1OCCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 15924944 BWFYKVZLNDKZJN-CALCHBBNSA-N 448.541 2.302 0 40 IEAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cn1nnc2ccccc2c1=O 16631298 VXTYWVXGYMDAHH-DEOSSOPVSA-N 425.448 2.439 0 40 IEAB CN1CC[C@]2(CCC1=O)CN(CC(=O)NCc1cccs1)C(=O)c1ccccc1O2 19588488 DQAOKGMXALRDAB-JOCHJYFZSA-N 427.526 2.280 0 40 IEAB CNc1cc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)nc([C@@H]2CCCCN2)n1 19709939 MNBMOKPLXYSCAQ-SFHVURJKSA-N 444.561 2.038 0 40 IEAB C[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 21790340 JBGUQNKSVOEVDZ-HNNXBMFYSA-N 442.493 2.104 0 40 IEAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 22526625 QATBGHGGUVYNIF-KRWDZBQOSA-N 448.541 2.055 0 40 IEAB COc1cccc(NC(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)c1OC 23135200 QSOPYGSPWFAWNH-UHFFFAOYSA-N 441.467 2.168 0 40 IEAB CCS(=O)(=O)N1CCC(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CC1 24461742 BXXLLTIULOEZSJ-UHFFFAOYSA-N 445.520 2.346 0 40 IEAB COCCN(C(=O)c1oc2c(F)cccc2c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 32537987 KRPPKPYRMTZVDT-UHFFFAOYSA-N 432.452 2.262 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccccc1C(=O)N1CCCC1)O2 44786678 KFSWLVJUPXKGMH-HXUWFJFHSA-N 443.525 2.397 0 40 IEAB C[C@@H](O)[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)OCC(=O)N(C)Cc1ccsc1 48366105 PMHOUTAKUMVZNQ-PIGZYNQJSA-N 442.896 2.222 0 40 IEAB Cc1ccc2c(c1)N(C(=O)Cn1c(=O)n(Cc3ccccc3)c(=O)c3nscc31)CCO2 49403786 HYJGSYHKEIMQNZ-UHFFFAOYSA-N 448.504 2.402 0 40 IEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3nccn3C)CC2)nc1 89969576 NAQMXOBDAYWRSQ-UHFFFAOYSA-N 426.546 2.357 0 40 IEAB Cc1nc(CN2[C@]3(CCN(C(=O)N4CCOCC4)C3)c3ccccc3S2(=O)=O)cs1 96143190 YEPPOEZENLWMLM-FQEVSTJZSA-N 448.570 2.009 0 40 IEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(S(C)(=O)=O)ccc21 100877364 ZVZRWPSHKGTDSO-MRCUWXFGSA-N 448.522 2.419 0 40 IEAB Cc1ccc(-c2noc(CNC(=O)CN(c3ccc(F)cc3F)S(C)(=O)=O)n2)cc1 220098413 WGSNUMKXDZUXHD-UHFFFAOYSA-N 436.440 2.406 0 40 IEAB Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)c1 222830860 USZGZKKVBLNXIT-UHFFFAOYSA-N 438.933 2.365 0 40 IEAB Cc1cccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)c1C 224550246 XDIWWNQJJVYWQE-UHFFFAOYSA-N 445.585 2.218 0 40 IEAB CN(Cc1nc(-c2cccs2)no1)C(=O)CN(Cc1ccccc1F)S(C)(=O)=O 225757707 ZHTBSAFIRFEFNE-UHFFFAOYSA-N 438.506 2.357 0 40 IEAB Cc1ccc(OC[C@H](O)CN(C)Cc2ccc(OCC(=O)N3CCOCC3)cc2)c(C)c1 257234831 GVGUOVDVZJVZMF-JOCHJYFZSA-N 442.556 2.413 0 40 IEAB O=C(c1cc2ccccc2[nH]1)N1CC2(C1)[C@H](COCc1ccccn1)CCS2(=O)=O 306133438 MLHVJQCDMXLZJT-KRWDZBQOSA-N 425.510 2.409 0 40 IEAB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 409293068 GXPBSEYLMMYUQA-GJRWTSMGSA-N 440.235 2.259 0 40 IEAB O=C(C[C@]1(COc2ccc(F)cc2)CN(C(=O)c2ncccn2)CCO1)N1CCCCC1 585286450 PAFIZASEBXRVNO-HSZRJFAPSA-N 442.491 2.309 0 40 IEAB O=c1cc2c(nn1CC1CCN(S(=O)(=O)c3ccc4oc(O)nc4c3)CC1)CCCC2 585500604 MXUKDIPJJDTSLZ-UHFFFAOYSA-N 444.513 2.070 0 40 IEAB Cc1cn2nc(OCC3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)ccc2n1 1888930548 ZDVXZYAKYWLBBQ-UHFFFAOYSA-N 444.513 2.289 0 40 IEAB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(O)cc2)sc(C(=O)N(C)C)c1C 3313415 GULOKEONKKIFCL-UHFFFAOYSA-N 434.470 2.436 0 40 IEAB COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(Cl)c(Cl)c1 8747935 SAFRXGSQYOMVOT-AWEZNQCLSA-N 442.251 2.323 0 40 IEAB COC(=O)c1ccc(Cn2cnc3c(nnn3-c3ccc(Br)cc3)c2=O)o1 8903260 XUJYKANXJFMHCY-UHFFFAOYSA-N 430.218 2.168 0 40 IEAB CCOCCCNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 8952700 MKWJCDNGDWHGAJ-PSLXWICFSA-N 442.516 2.143 0 40 IEAB biogenic COc1ccc(CCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 9222136 LLNNKTCOXOWLNV-UHFFFAOYSA-N 434.514 2.296 0 40 IEAB C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccn1 9983645 FCVKXPMZUOMLHV-OAHLLOKOSA-N 431.514 2.131 0 40 IEAB COc1ccc(OC)c(CCNC(=O)c2cccc(N3C(=O)C(C)(C)CS3(=O)=O)c2)c1 12005859 LUGQWYGNSNQESR-UHFFFAOYSA-N 446.525 2.379 0 40 IEAB biogenic COc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N3CCOCC3)CC2=O)c1 12062097 FTWHHDPVRGZJDC-KRWDZBQOSA-N 434.496 2.424 0 40 IEAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 12793169 ZLOBDCWFJBUGCW-UHFFFAOYSA-N 426.498 2.210 0 40 IEAB CCOc1ccc(C(=O)NCC(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1OCC 12852084 QGLZBBBNYDDBIN-UHFFFAOYSA-N 444.513 2.170 0 40 IEAB CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)CC(C)(C)C 12864786 VEWXBBFJHIZBBR-UHFFFAOYSA-N 445.969 2.194 0 40 IEAB COCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1 12911643 RYMNQHUZABLPHW-LJQANCHMSA-N 439.965 2.297 0 40 IEAB CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)NCc1ccc2c(c1)OCO2 14142097 MTSXVNZRFPLKFZ-UHFFFAOYSA-N 445.545 2.338 0 40 IEAB C[C@@H](OC(=O)c1cccnc1SC(F)F)C(=O)Nc1ccc(S(N)(=O)=O)cc1 14227721 ALRYJEIWEHITMZ-SECBINFHSA-N 431.442 2.228 0 40 IEAB CCOc1ncccc1C(=O)N1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1 16684857 PVZCVPXJQHXSGZ-UHFFFAOYSA-N 427.530 2.353 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(I)cc1 17480682 PKNAVLHBCHEXDO-UHFFFAOYSA-N 449.270 2.155 0 40 IEAB O=C(Cc1cccs1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CCC2)C3)C1 19343134 HIKNEHRUKJHTCX-OAHLLOKOSA-N 426.542 2.075 0 40 IEAB COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NC(C)C)[C@H](C(=O)c3ccc(F)cc3)C2)cc1 19449959 JMGZLRHMZCOEKR-WOJBJXKFSA-N 448.516 2.479 0 40 IEAB NC(=O)c1cccc(-c2ccc([C@H]3CN(C(=O)Cn4nnc5ccccc54)CCO3)nc2)c1 19692575 IZLCFOJNJIIBIY-JOCHJYFZSA-N 442.479 2.192 0 40 IEAB CNc1nc(C2CCN(C(=O)CC[C@@H](C)N3CCCC3)CC2)nc2c1CN(C(C)=O)CC2 19711407 BBESXRBNCJTFQT-QGZVFWFLSA-N 442.608 2.393 0 40 IEAB Cc1nc([C@@H]2CCCN2S(=O)(=O)c2cnn(C)c2)ncc1C(=O)Nc1ccccc1 19755480 XJDBWLGMQJTEPP-SFHVURJKSA-N 426.502 2.297 0 40 IEAB Cc1ncc(C(=O)NCc2ccccn2)c(CC2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 19757261 YANHLNHRYVDAJT-FQEVSTJZSA-N 437.544 2.460 0 40 IEAB O=C(c1cccnc1)N1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 19759347 QWGRWPKRNHKNIN-JOCHJYFZSA-N 432.480 2.316 0 40 IEAB O=C(CN1CCN(Cc2ccsc2)CC1)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1 22799311 PVJMPBCIDJCICA-FQEVSTJZSA-N 433.599 2.086 0 40 IEAB Cc1cc(OCn2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)n2)ccc1Cl 27972795 PSDHRCWCZZSKFV-UHFFFAOYSA-N 434.905 2.459 0 40 IEAB CCOc1cc(Br)c(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1OCC 32780719 ZOPWQBHJLVBIGI-CYBMUJFWSA-N 434.352 2.435 0 40 IEAB COc1ccc(CNC(=O)Cn2nc(-c3ccc(F)cc3OC)ccc2=O)cc1OC 44890567 RLPRRSCNYCVKMS-UHFFFAOYSA-N 427.432 2.392 0 40 IEAB COc1cccc(CNC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)c1OC 67300312 QEPJKPLCOLJBJT-UHFFFAOYSA-N 437.496 2.087 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)ccc1OC 222903191 JETUNWXLUSBUCD-UHFFFAOYSA-N 431.514 2.021 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1ccccc1OC)S(C)(=O)=O 222943303 CUWCPABTIJMTQY-GOSISDBHSA-N 447.557 2.015 0 40 IEAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1CCCN1CCOCC1 223572613 PUBAGUDYUQACDJ-VXKWHMMOSA-N 443.617 2.187 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1ccc(C)cc1C)c1ccc2c(c1)OCCO2 224163121 JKLBGUFJXSUEJH-UHFFFAOYSA-N 448.541 2.426 0 40 IEAB CCOc1cccc(N(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)S(C)(=O)=O)c1 225049465 ZPFKNIAIXYYPRI-UHFFFAOYSA-N 435.527 2.403 0 40 IEAB O=C(NS(=O)(=O)c1cccc(Br)c1)c1ccc(CN2CCOCC2)cc1 257241414 HXZAWVLBRFYGLL-UHFFFAOYSA-N 439.331 2.400 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)cc1 408657908 PWZJKCSZKOPVNB-ZDUSSCGKSA-N 445.859 2.024 0 40 IEAB CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cc(C(C)C)ccc3OC)C2)CC1 408700977 PMATZYHRXHXQPM-IBGZPJMESA-N 437.606 2.383 0 40 IEAB O=C(NCC1(N2CCSCC2)CCOCC1)C(=O)Nc1ccccc1C(F)(F)F 1888920864 HHKBNPLSENQZGZ-UHFFFAOYSA-N 431.480 2.358 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N1CCCC1=O 3514140 BMSWWTUDQDRUAZ-UHFFFAOYSA-N 434.445 2.241 0 40 IEAB O=C1O[C@H]([C@@H]2OC(=O)C(=O)[C@@H]2[C@H]2CCCCCCC2=O)[C@H]([C@@H]2CCCCCCC2=O)C1=O 5664039 IJJBNKXNBQBVMB-FYTBAYDKSA-N 446.496 2.287 0 40 IEAB CC(C)C[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 8789944 OCYAQRZWUXAQHB-JFIGOFHMSA-N 433.574 2.063 0 40 IEAB biogenic COc1ccc(CC(=O)N2CCCc3ccccc32)cc1S(=O)(=O)N1CCOCC1 9125530 MLVZPGZPXAAKQA-UHFFFAOYSA-N 430.526 2.238 0 40 IEAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 9338076 QGYGCSPPBZCNTK-UHFFFAOYSA-N 434.485 2.379 0 40 IEAB COCCCn1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21 9487006 HGZMFZJFJBMSFE-UHFFFAOYSA-N 434.452 2.344 0 40 IEAB O=C(COc1ccc(-c2nnco2)cc1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 9578527 JOBOJUPLMSMQQG-SFHVURJKSA-N 427.482 2.331 0 40 IEAB COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccccc3OC)c2=O)cc1 9660588 HKWXCHOOOWJCCP-UHFFFAOYSA-N 446.463 2.262 0 40 IEAB O=C(OCc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(-n2cccn2)cc1 9670024 BJQPOUKTPSZLFC-UHFFFAOYSA-N 427.482 2.250 0 40 IEAB O=C(NCc1cccc(Cl)c1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 9710540 QLXLSOPYLPKNNM-UHFFFAOYSA-N 429.951 2.422 0 40 IEAB COc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(=O)(=O)c2cc(C)ccc2C)cc1 9807112 JQBPZZSBPFRGQR-GOSISDBHSA-N 445.541 2.220 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2)cc1 10369574 DWEWRQORYDUUCK-UHFFFAOYSA-N 425.532 2.341 0 40 IEAB CCOc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)cc1S(=O)(=O)N(CC)CC 11547249 JKUKJLOWODUFCG-CQSZACIVSA-N 437.518 2.466 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(-n2cnnn2)cc1 12698034 JVOTYNAHPNITRH-UHFFFAOYSA-N 429.278 2.444 0 40 IEAB CCN(C(=O)CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 13575733 BHLUDKRHIAQNSG-GRRFOWRYSA-N 442.946 2.412 0 40 IEAB CCC(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O 19699624 GPTBTVVWNWSEPU-GOSISDBHSA-N 432.565 2.271 0 40 IEAB CNc1nc(C2CCNCC2)nc2c1CCN(C(=O)c1ccccc1OCCN(C)C)C2 19710917 IQJBROUVCIBHBA-UHFFFAOYSA-N 438.576 2.124 0 40 IEAB Cn1cc(-c2cc(C(=O)NCC[C@@H]3C[C@@H](S(=O)(=O)c4ccccc4)CCO3)on2)cn1 19712101 ZABMAPDBNHMUHL-AEFFLSMTSA-N 444.513 2.217 0 40 IEAB CN1CCN(C(=O)c2cc([C@H]3CN(C(=O)c4cccnc4)CCO3)nc3ccccc23)CC1 19759353 BLZQEZNBIUKDSZ-HSZRJFAPSA-N 445.523 2.231 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2C(=O)Nc2nc[nH]n2)cc1 23140766 NRSOJXXAIKXFFD-UHFFFAOYSA-N 447.473 2.274 0 40 IEAB O=S(=O)(c1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)nc1)N1CCCC1 23819979 FVOZTNYUDJIERK-UHFFFAOYSA-N 428.558 2.123 0 40 IEAB COc1cc(OC)c(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1OC 24762278 JPCCOKJDVBDIII-UHFFFAOYSA-N 437.500 2.196 0 40 IEAB CC(=O)Nc1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cs1 25572287 ZXOCQIYWQNTQLJ-UHFFFAOYSA-N 434.587 2.487 0 40 IEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 32900502 RRDFLDYDNDGYQU-HOJAQTOUSA-N 434.558 2.420 0 40 IEAB O=C(NC[C@@H]1CCN(C2CC2)C1)c1cc(S(=O)(=O)NC2CC2)ccc1Br 32912043 GQYCKMPWTRRWKD-LBPRGKRZSA-N 442.379 2.104 0 40 IEAB C[C@H]1CN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C[C@H](C)O1 36662242 KOZMBDJYZSBPMH-OFQRWUPVSA-N 425.514 2.255 0 40 IEAB COc1ccc(C)cc1NC(=O)Cn1cnc2c(nnn2Cc2cc(F)cc(F)c2)c1=O 40478103 LJDBXISQGKXVCN-UHFFFAOYSA-N 440.410 2.270 0 40 IEAB COc1cccc(NC(=O)Cn2nc3cc(C)nc(N4CCc5ccccc5C4)n3c2=O)c1 57505718 ALBXNYAQDHUWMV-UHFFFAOYSA-N 444.495 2.409 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Nc2cccc(-n3cccn3)c2)CC1 57862981 TUHWZCFUUUTMFS-UHFFFAOYSA-N 430.490 2.016 0 40 IEAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cccc(CN2CCS(=O)(=O)CC2)c1 62582283 JMWKFCMZJOWVSO-UHFFFAOYSA-N 429.498 2.126 0 40 IEAB Cn1nccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 72399095 PNIUCTSFNIDPRP-SFHVURJKSA-N 438.557 2.491 0 40 IEAB CCC[C@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCN1CC(=O)NC(C1CC1)C1CC1 79058980 CKZFEVZJEAEVAS-NRFANRHFSA-N 430.637 2.382 0 40 IEAB CCC(CC)C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ccccn3)C[C@@H]2C1 96251503 STVJASFHRRXCSR-RDPSFJRHSA-N 428.577 2.422 0 40 IEAB CCOc1ncc(C2(O)[C@H]3CCC[C@H]2CN(Cc2cnc(OC)nc2)C3)c(OCC)n1 100149778 ROWCQWDNVHGFNW-IRXDYDNUSA-N 429.521 2.192 0 40 IEAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[nH]c(=O)c21 223054167 XXOQFPUNYORVND-KGLIPLIRSA-N 425.489 2.469 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2cc(C)cc(C)c2)cc1OC 224112366 YZJCLPCECKYWEF-UHFFFAOYSA-N 436.530 2.136 0 40 IEAB CN(C)S(=O)(=O)c1ccc(OCCNC(=O)C2(c3ccccc3)CCOCC2)cc1 224268147 RTCABSDDQNURKX-UHFFFAOYSA-N 432.542 2.180 0 40 IEAB C[C@@H]1CCCN(c2cc(N3CCOCC3)nc(NC(=S)NCc3cccnc3)n2)C1 225939975 ONDAQFMXLVKVKK-MRXNPFEDSA-N 427.578 2.431 0 40 IEAB Cc1nc2cc([C@@H]3CCN(C(=O)c4cnsc4)C3)nn2c(O)c1CCC(=O)NC(C)C 257237760 HIBASAIFMUWEAK-CQSZACIVSA-N 442.545 2.287 0 40 IEAB COc1ccc(-c2c3c(nc4c2c(=O)n(C)c(=O)n4C)-c2ccccc2[C@@H]3O)cc1OC 408979878 DFMMTBMNMYNNJA-NRFANRHFSA-N 431.448 2.379 0 40 IEAB O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cc(F)cc2cccnc12 502836112 NUMYALFRHWYCKL-SFHVURJKSA-N 436.491 2.399 0 40 IEAB N[C@@H](CCC(=O)N1CCC2(CCCCc3ccccc3OCCCNC2=O)CC1)C(=O)O 643556768 PYVPJOOAKUCOIM-IBGZPJMESA-N 445.560 2.099 0 40 IEAB CSc1nc(C(F)F)cc(N2CCN([C@H]3CCN(CC(F)(F)F)C3=O)CC2)n1 1888857029 QCEYEPLYAVOTJK-NSHDSACASA-N 425.427 2.421 0 40 IEAB Cc1cn2nc(OCC3CCN(C(=O)Cn4cnc5ccccc5c4=O)CC3)ccc2n1 1888930325 VKUAXQLGQMGYAC-UHFFFAOYSA-N 432.484 2.065 0 40 IEAB CC(C)C[C@H](NC(=O)c1cc(Cl)ccc1OCCNC(C)C)C(=O)N[C@@H](C)C(=O)O 2037879718 MHOSNIZROKDDOV-YOEHRIQHSA-N 441.956 2.451 0 40 IEAB CCOc1cc(S(=O)(=O)NCCc2cccc(C)c2)c(OCC)cc1-n1cnnn1 1325344 SIYVEFKNDVVWDA-UHFFFAOYSA-N 431.518 2.289 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)OCC(=O)N3c4ccccc4C[C@H]3C)cc2C1=O 3569386 KTMPFOHZFXXUGC-OAHLLOKOSA-N 436.464 2.454 0 40 IEAB O=C(Nc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 9340909 SOYQOIFKGMDZGC-INIZCTEOSA-N 428.514 2.248 0 40 IEAB Nc1nc(SCC(=O)N2CCc3ccccc32)[nH]c(=O)c1NC(=O)c1ccc(F)cc1 9518046 MOTIMPPUIGTAGL-UHFFFAOYSA-N 439.472 2.425 0 40 IEAB Cc1cccc(Nc2ccc(N3CCN(S(=O)(=O)c4c(C)noc4C)CC3)nn2)n1 11697318 IVBPKZHTENVOMZ-UHFFFAOYSA-N 429.506 2.039 0 40 IEAB CCOc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1S(=O)(=O)N1CCCC1 12700284 ITEWVPJTNVTZHX-UHFFFAOYSA-N 445.541 2.167 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)c(O)c(OC)c3)CC2)cc1 12750208 MUVZELJQODDWAG-UHFFFAOYSA-N 440.905 2.210 0 40 IEAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 12881757 ATPLPIAXNIWEIL-GOSISDBHSA-N 431.558 2.478 0 40 IEAB CC[C@H](C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@@H](C)C(=O)O 12885634 HORMGZBYZMQGQC-YKJDYHJGSA-N 447.557 2.155 0 40 IEAB biogenic O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCN(c2ncccn2)CC1 13062132 GMYFFOJTQPNULC-UHFFFAOYSA-N 428.496 2.052 0 40 IEAB CC(C)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 13074054 OXHMDKXAGUZQTJ-VIFPVBQESA-N 430.832 2.093 0 40 IEAB CC(C)[C@H](NC(=O)CCNC1=NS(=O)(=O)c2ccccc21)c1ccc2c(c1)OCCO2 15027291 FPJGLLZUTOEWEK-NRFANRHFSA-N 443.525 2.400 0 40 IEAB COc1ccc2c(c1)c(-c1nc(C)ncc1CNC(=O)C[C@H]1CCS(=O)(=O)C1)cn2C 19287117 MFCVMYHQOILJGG-OAHLLOKOSA-N 442.541 2.393 0 40 IEAB O=C(c1ccccc1OC[C@H]1CCCO1)N1CCN(S(=O)(=O)c2cccs2)CC1 23038051 QZFMIMOHMBDGPM-MRXNPFEDSA-N 436.555 2.453 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)cc1 24656466 SFCOUNXUQZBZQN-LJQANCHMSA-N 447.582 2.205 0 40 IEAB CCOC(=O)C1=C(COC(=O)CCn2nc(C)cc2C)NC(=O)N[C@H]1c1ccc(C)o1 24928658 BCYFZLFQKJGCAN-IBGZPJMESA-N 430.461 2.206 0 40 IEAB O=C(CN1CCC[C@H](C(=O)Nc2ccccc2)C1)NCC(=O)Nc1ccc(F)c(F)c1 27572538 LUSHXZKYKVYKQI-HNNXBMFYSA-N 430.455 2.370 0 40 IEAB CCN(CC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccccc1 39986006 XADPBZYUIIJGLX-UHFFFAOYSA-N 436.486 2.140 0 40 IEAB COCCOC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=S)N[C@H]1c1csnn1 40152398 ZOSBDMDMBPARPF-SFHVURJKSA-N 448.570 2.484 0 40 IEAB CN(C)S(=O)(=O)c1cccc(COC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c1 40157393 KSTGUZUKKOOXOI-SFHVURJKSA-N 434.539 2.195 0 40 IEAB O=C(COc1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)CC1 42382488 VBKPBVCWRJHZFS-RBUKOAKNSA-N 426.444 2.408 0 40 IEAB CC[C@H](NC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1)c1ccc(OC)c(OC)c1 44856881 KDLUBAUWZREAGI-MGPUTAFESA-N 434.514 2.498 0 40 IEAB O=C(CN1CCN(CCn2ccnc2-c2ccccc2)CC1)NCc1ccc2c(c1)OCO2 77159521 UGAQIYYCHGJRDL-UHFFFAOYSA-N 447.539 2.213 0 40 IEAB CC(=O)N1CCC(NC[C@H]2O[C@H](Cc3cc(COc4ccccc4)on3)CC[C@@H]2O)CC1 77262979 OFQZISBORONQTO-OEMFJLHTSA-N 443.544 2.305 0 40 IEAB biogenic,in-vitro CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)c1ccc3ccccc3c1)C2 96050461 CNTHAAGKVUQKPJ-DEOSSOPVSA-N 431.496 2.053 0 40 IEAB O=C1CCc2cc(S(=O)(=O)NC[C@](O)(c3ccccc3)C(F)(F)F)cc3c2N1CC3 206659071 ZPFMSNBXWVSJFV-IBGZPJMESA-N 440.443 2.250 0 40 IEAB CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(N2C(=O)CCC2=O)c1 222950350 JZOJCNMUEQYCIE-UHFFFAOYSA-N 445.497 2.289 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 222973579 ISCMFTDIKSSKSV-NXHRZFHOSA-N 429.492 2.020 0 40 IEAB CN(C)C(=O)c1ccc(NS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1 223176574 TUYBBGXNAJNHIX-UHFFFAOYSA-N 431.499 2.293 0 40 IEAB Cc1ccc(C)c(OCCNC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)c1 224032081 GTAKGLCJOBOOBC-UHFFFAOYSA-N 432.542 2.274 0 40 IEAB CCS(=O)(=O)N(CC(=O)NCCOc1ccccc1C)c1ccc2c(c1)OCCO2 224162451 UXNAHIANQXNDNT-UHFFFAOYSA-N 434.514 2.118 0 40 IEAB CCSc1nnc(NC(=O)[C@@H](C)N(c2ccc(OC)c(OC)c2)S(C)(=O)=O)s1 224622430 QCECJJRAHZUSQX-SNVBAGLBSA-N 446.576 2.461 0 40 IEAB CCCSc1nnc(NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)s1 225861808 MPAQFNNAMKEXBX-UHFFFAOYSA-N 446.576 2.462 0 40 IEAB COc1ccc(Cl)cc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408671071 YINJLSMHQVVXDT-LFSCOCTRSA-N 434.876 2.252 0 40 IEAB COC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 409161812 QAMVRXQKNLWSDR-UHFFFAOYSA-N 427.276 2.153 0 40 IEAB COc1ccc(CC(=O)N2CCO[C@](COc3ccc(Cl)cc3)(CC(N)=O)C2)cc1 585286262 NRFZMKMENSAMIW-JOCHJYFZSA-N 432.904 2.443 0 40 IEAB CC(=O)N1CCN(C(=O)COC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)CC1 3331921 BQDHTARVLXEFNN-UHFFFAOYSA-N 440.525 2.302 0 40 IEAB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n1 8705965 IWWYAEFBRMOPJW-NSHDSACASA-N 432.527 2.407 0 40 IEAB CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br 8719441 FNRUSCNALSNFNT-LLVKDONJSA-N 440.157 2.453 0 40 IEAB O=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O 8789747 QUVCPGXJUQZCAW-PMACEKPBSA-N 446.463 2.031 0 40 IEAB biogenic CCc1nn2c(=O)cc(COC(=O)c3ccc(S(=O)(=O)C(F)F)cc3)nc2s1 9244491 CIOLEQJOWGVAKH-UHFFFAOYSA-N 429.426 2.067 0 40 IEAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 10256092 YKBPOTJJOAKRJT-FQEVSTJZSA-N 429.542 2.425 0 40 IEAB CCN(Cc1nc(-c2ccc(F)cc2)no1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10431385 JWFDVGCPEBFIKL-UHFFFAOYSA-N 436.447 2.383 0 40 IEAB O=C1CC2(CCCC2)C(=O)N1CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 12592329 SXSCPAQGFRNEQR-UHFFFAOYSA-N 443.928 2.062 0 40 IEAB Cn1c(=O)c2cc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cnc2n(C)c1=O 12748613 NUONVBYFNKBIOQ-UHFFFAOYSA-N 425.445 2.071 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)cc1OC 12776790 FCHSWTWLHGYTJG-UHFFFAOYSA-N 430.526 2.339 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(N4CCCC4=O)cc3)C2=O)cc1 12902283 LQWQROGAULAAMH-QHCPKHFHSA-N 436.468 2.228 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 13109860 WUQPFJUPEIVTFA-UHFFFAOYSA-N 443.569 2.338 0 40 IEAB C[C@@H](OC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 14245638 OJCCWYQKZXRREN-BEFAXECRSA-N 429.494 2.108 0 40 IEAB CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2cc(=O)n(C)c(=O)n2C)n1 19525671 NFVSXNSIPLPRFS-GOSISDBHSA-N 448.527 2.174 0 40 IEAB CNc1nc(C2CCN(S(=O)(=O)c3ccccc3OC)CC2)nc2c1CN(C)CC2 19711399 JXZNMQHSHPTLHO-UHFFFAOYSA-N 431.562 2.083 0 40 IEAB COCCCNC(=S)N(CCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 19824117 VRWQSLWAVPJCMK-UHFFFAOYSA-N 446.617 2.190 0 40 IEAB Cc1cccc(N2CCN(C(=O)CN(c3ccc(F)cc3)S(=O)(=O)N(C)C)CC2)c1C 20245429 KSTWJNCYZOJKMI-UHFFFAOYSA-N 448.564 2.404 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nc(C)cs3)CC2)cc1 21687290 CXFRNBGLUVXMHP-UHFFFAOYSA-N 436.603 2.440 0 40 IEAB CN(C)C(=O)CN1CCN(CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 22934183 ZNPANFVZDBHSIS-QHCPKHFHSA-N 428.964 2.251 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)c2ccc(NC(C)=O)cc2)cc1 23079166 NHEVGVUNWUZALA-UHFFFAOYSA-N 448.497 2.138 0 40 IEAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCCN3CCOCC3)ccc2C)cc1 25139994 HYQHVYFBLISYQK-UHFFFAOYSA-N 447.557 2.257 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCOc3ccccc3OC)C2)cc1 31245758 ZIGDCEXPGGFUDB-QGZVFWFLSA-N 448.541 2.300 0 40 IEAB CN(C)S(=O)(=O)c1cccc(CS(=O)(=O)CCC(=O)Nc2ccc(F)cc2)c1 32929556 HIKTUJGMPRLEQU-UHFFFAOYSA-N 428.507 2.020 0 40 IEAB C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 34890312 JSVPZGIPEVUKRB-CVEARBPZSA-N 430.530 2.012 0 40 IEAB Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)N1CCN(C)CC1 35851691 INQIKGDJRZVPGV-UHFFFAOYSA-N 436.541 2.497 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(-n4cccn4)nc3)CC2)s1 58174759 GQCZGLKKXNDAOL-UHFFFAOYSA-N 432.531 2.176 0 40 IEAB COC(=O)C1=C(CN2CCN(C3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 67287824 IIINDTOBLKIMKF-QFIPXVFZSA-N 442.560 2.427 0 40 IEAB CCOc1ccc(CC(=O)N2CCC[C@@H]2Cn2nnc3c(O)nc(C)nc32)cc1OCC 72324965 FFLNURLGLSCCLJ-MRXNPFEDSA-N 440.504 2.266 0 40 IEAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)N(C)S(=O)(=O)N1 72335103 WXXKUGMNOZVRIN-HUUCEWRRSA-N 432.333 2.254 0 40 IEAB O=C(CC[C@H]1NC(=O)NC1=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 72393488 KENZLPPJPOPBKJ-LJQANCHMSA-N 430.524 2.206 0 40 IEAB COc1ccc(N2C(=O)[C@H]3SC(N)=C4C(=O)Oc5ccccc5[C@H]4[C@@H]3C2=O)cc1OC 101374097 SGNZOGHXIPCUNW-BQFCYCMXSA-N 438.461 2.182 0 40 IEAB COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(N4CCCC4=O)cc3)C2=O)cc1OC 105708601 WRKVUBCQGBMIMT-IBGZPJMESA-N 437.496 2.295 0 40 IEAB CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2cc(C)cc(C)c2)S(C)(=O)=O)CC1 220563123 RJZZDMPJCWGTLA-GOSISDBHSA-N 425.551 2.149 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2ccc(OC)cc2)S(C)(=O)=O)CC1 220646386 SOSGNFRVYNCMPS-SFHVURJKSA-N 426.535 2.042 0 40 IEAB CN(CC1(O)CCN(c2ccnc3ccncc23)CC1)C(=O)c1ccc(OCCCN)cc1 257260163 LBOQSZPLFQTHKI-UHFFFAOYSA-N 449.555 2.461 0 40 IEAB CCc1cc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)no1 257260856 LESZCUKYUBOEBC-AVRDEDQJSA-N 440.544 2.311 0 40 IEAB COc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1NC(=O)c1ccccc1C 408589039 DLAUVCXAXUCZLP-UHFFFAOYSA-N 447.557 2.257 0 40 IEAB COCCn1nc([C@@H]2CCCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)n(C2CC2)c1=O 585233865 RPXWGWMEWNBSBC-QGZVFWFLSA-N 434.562 2.211 0 40 IEAB O=C(CN1C(=O)c2ccccc2C1=O)N1CC[C@@H](Oc2ccncc2Br)C1 1775972764 VCUHELJXCCSETJ-GFCCVEGCSA-N 430.258 2.120 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC(=O)N(c4c(C)cccc4C)C3=O)CC2)cc1 2645654 CCCYVRPOEZRQRC-HXUWFJFHSA-N 441.553 2.250 0 40 IEAB Cn1nc(C(=O)NCCN2C(=O)S/C(=C\c3cccs3)C2=O)c2ccccc2c1=O 3341476 KIEXXUQUVGVCDY-PTNGSMBKSA-N 440.506 2.461 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1 3564432 UPTJBQPPMSQLMQ-UHFFFAOYSA-N 430.482 2.170 0 40 IEAB COc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1NS(=O)(=O)c1ccc(F)cc1 8746717 JYVUEJRFQQGPIS-UHFFFAOYSA-N 434.449 2.182 0 40 IEAB Cc1cc(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 8918845 IDQGWYJIXFOPGF-INIZCTEOSA-N 435.546 2.244 0 40 IEAB COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)cc1 9303266 XLWICKSFFYSNRG-SFHVURJKSA-N 445.541 2.371 0 40 IEAB CCc1nnc(NC(=O)CSc2nnc(CCNC(=O)c3ccccc3F)n2C)s1 9328529 YGWNIJUGLDSWNV-UHFFFAOYSA-N 449.537 2.071 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)Nc1cccc(OC)c1)c(=O)n2Cc1ccccc1 9468337 VRQWURKIUKJGFI-UHFFFAOYSA-N 433.468 2.075 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)c1 9650547 QUTATUFGPISCEO-UHFFFAOYSA-N 449.510 2.365 0 40 IEAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)n2C)c1 9699311 JGMHJQUDUHWDEL-UHFFFAOYSA-N 438.513 2.412 0 40 IEAB O=C(NCCc1ccco1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 9727586 RWGQIZITYYCYFS-UHFFFAOYSA-N 434.514 2.201 0 40 IEAB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCCc1ccc(Br)s1 10822160 LXFLROQBDMXCSR-UHFFFAOYSA-N 442.360 2.298 0 40 IEAB O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NCc1ccc(NC(=O)C2CC2)cc1 10902391 NHCFUTDPXHVYHV-RUZDIDTESA-N 446.507 2.435 0 40 IEAB O=C(NCCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1cc2ccccc2o1 12163315 ZYZBZJOARVSWAU-UHFFFAOYSA-N 428.514 2.100 0 40 IEAB CCn1c(=O)n(CC(=O)c2ccccc2F)c2c(C(N)=O)nc(-c3cccs3)nc21 12276834 PLKDLVHCCUMROF-UHFFFAOYSA-N 425.445 2.462 0 40 IEAB Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cn1 12766764 OETDIOXJZKVJLT-GORDUTHDSA-N 429.329 2.273 0 40 IEAB CC(C)OC(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 12877410 HRTMDNUIJUHFQW-UHFFFAOYSA-N 425.551 2.168 0 40 IEAB Cc1cc(C)n(CCCNC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)n1 12974425 GWIUXKMRQDJIAE-UHFFFAOYSA-N 432.468 2.394 0 40 IEAB CCn1nnc2c(N3CCN(CC(=O)Nc4ccc(Cl)c(Cl)c4)CC3)ncnc21 13534109 UNVBHEIWXSBNPL-UHFFFAOYSA-N 435.319 2.309 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSC(=S)N3CCCC3)CC2)cc1C 15411648 PCSPDPVEWUCBSP-UHFFFAOYSA-N 441.644 2.250 0 40 IEAB COc1ccc2nc(N3CCN(C(=O)CS(=O)(=O)c4ccccc4)CC3)sc2c1 15882391 HHBXTWDRVRNKOS-UHFFFAOYSA-N 431.539 2.427 0 40 IEAB O=C(O)CC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 16010022 NDEPMJMOLUBQNR-PBWVOLNLSA-N 439.855 2.130 0 40 IEAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)on1 19122301 IOPYQCGJUVRXKA-KRWDZBQOSA-N 433.534 2.084 0 40 IEAB CNC(=O)c1ccc(-c2ccc([C@@H]3CCCN3C(=O)Cn3c(C)cc(C)nc3=O)nc2)cn1 19688827 JYJFQEFTJDUDST-NRFANRHFSA-N 446.511 2.040 0 40 IEAB O=C(Cn1cccc(C(=O)N2CCC[C@@H](CN3CCCC3)C2)c1=O)NCc1ccccc1 19749950 DYSSDNGOOXRGRT-NRFANRHFSA-N 436.556 2.113 0 40 IEAB COc1ccc(C(=O)N2CCC[C@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cn1cccn1 19763748 HMSFZXXLSQAXFN-KRWDZBQOSA-N 434.500 2.157 0 40 IEAB CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1S(=O)(=O)N(C)C 25451868 RIWYAVXCRHHPKH-HNNXBMFYSA-N 449.529 2.420 0 40 IEAB CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)NCCNC(=O)c1ccco1 32908620 ZEYJDXKPWDHDOG-INIZCTEOSA-N 436.306 2.343 0 40 IEAB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 40149834 SSJOMRJQPITZMS-ZDUSSCGKSA-N 431.356 2.225 0 40 IEAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCCCOCc2ccco2)c1 58005920 MNEJQUBCQXBTKV-UHFFFAOYSA-N 429.473 2.328 0 40 IEAB COc1cccc(NC(=O)C[C@@H](CN2CCN(Cc3c(C)noc3C)CC2)C(=O)O)c1 61721795 NXJIZWJZHNUPSD-KRWDZBQOSA-N 430.505 2.147 0 40 IEAB COc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2nc(C)c3ccccc3c2=O)cc1 65603631 GABMKXWEZNXPPH-LJQANCHMSA-N 438.509 2.254 0 40 IEAB C[C@H]1CN(S(=O)(=O)CCNC(=O)c2cccnc2SC2CCCC2)C[C@H](C)O1 69923142 VTLHGKWOAOFJMP-GJZGRUSLSA-N 427.592 2.285 0 40 IEAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)C2)n1 84229563 OIFJKVKUIHXLRP-BOSXTWCSSA-N 445.589 2.293 0 40 IEAB CCn1c(CCC(=O)N2CCC[C@@H]2c2ncc[nH]2)nc2cc(S(=O)(=O)N(C)C)ccc21 95458557 IEJPIYZPBIBIPC-GOSISDBHSA-N 444.561 2.326 0 40 IEAB CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 95970572 CIUVGYXCHPQOAR-UHFFFAOYSA-N 443.525 2.073 0 40 IEAB O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 100280293 JMCAWSJJLJRQOM-HAGHYFMRSA-N 442.493 2.255 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1ccsc1NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102330597 VAWQIHGWOSEKLB-DIECFANBSA-N 444.465 2.224 0 40 IEAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccccc1 218155223 AIEXJYSCZIUPBH-RBUKOAKNSA-N 446.477 2.468 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)N1CCc2ccccc21 224311471 AGNVYPRJDYWSKI-UHFFFAOYSA-N 430.526 2.238 0 40 IEAB COc1ccccc1O[C@H](C)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224327181 VQULXCJNQWKVOE-QGZVFWFLSA-N 448.541 2.442 0 40 IEAB CN1CCN(C(=O)CCc2nc(-c3ccc(I)cc3)no2)CC1 225839601 AYJCUGNUQDANQY-UHFFFAOYSA-N 426.258 2.048 0 40 IEAB COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@H]4CCCO4)C3)nc(O)c2C1 248123612 GMGIAKDPRJDNNO-DYESRHJHSA-N 438.528 2.244 0 40 IEAB Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CC[C@@H](c2ccc3c(N)n[nH]c3n2)C1 257259695 KZNOJONHHMJAIW-CQSZACIVSA-N 440.529 2.154 0 40 IEAB Cn1c(CCC(=O)N2C[C@@H](O)[C@@H](Cc3cn4ccnc4cn3)C2)nc2cc(Cl)ccc21 257296173 RBNSQUHMXRDNIB-IFXJQAMLSA-N 438.919 2.264 0 40 IEAB Cc1cc2nc(C)n(CC(=O)N3C[C@@H](O)[C@H](n4ccc5cc(C(N)=O)ccc54)C3)c2cc1C 257340886 ZHXUPKRZDDZRPV-DHIUTWEWSA-N 445.523 2.460 0 40 IEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3)C2)cc1 408657866 PNSBMUXFIVNJDU-HNNXBMFYSA-N 429.860 2.324 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1C(=O)N1CCCC1 408693335 ORFJULCYJAYPBX-UHFFFAOYSA-N 443.569 2.438 0 40 IEAB COC(=O)CN1C(=O)/C(=C/c2cc(Br)c(OC)cc2OC)N(C)C1=S 409214525 YEDWIQZJDFSPGJ-WDZFZDKYSA-N 429.292 2.039 0 40 IEAB CCOC(=O)c1sc(NC(=O)Cn2nnnc2-c2ccccn2)c(C(=O)OCC)c1C 517622552 KRKQVRRNEIWQAD-UHFFFAOYSA-N 444.473 2.097 0 40 IEAB O=C(NCCn1c(O)nc2ccccc21)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 530756286 CHNUUMUKCYAECU-UHFFFAOYSA-N 437.500 2.041 0 40 IEAB Cc1ccc(Cl)cc1S(=O)(=O)N(CCCCCC(=O)O)[C@H]1CCS(=O)(=O)C1 575424609 BSFRWRAHDZEAFB-HNNXBMFYSA-N 437.967 2.471 0 40 IEAB Cc1cccc(OC[C@@]2(O)CN(CC3(O)CCN(c4cccc(F)c4)CC3)CC[C@@H]2O)c1 585284139 VFLKQIAIJLIYGX-ZCYQVOJMSA-N 444.547 2.342 0 40 IEAB OC1(CN2CCOC[C@@](O)(COc3ccccc3)C2)CCN(c2ccc(F)cc2)CC1 585286032 GYPLOCYCHBARBT-XMMPIXPASA-N 430.520 2.299 0 40 IEAB Cc1ccnc(NC[C@@H]2CCN([C@@H](C)C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)C2)c1 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Cc1cccc(OCC(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1 11796081 FROWZPORIPTQGX-UHFFFAOYSA-N 431.558 2.032 0 40 IEAB COC(=O)C1=C(C)C=C(N2CCOCC2)[C@H](C(=O)OC)[C@H]1c1ccc(NC(C)=O)cc1 12402748 GBZNBHUOKKUAFS-SFTDATJTSA-N 428.485 2.237 0 40 IEAB O=C(c1ccccc1Br)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 12617250 WFUQQBCGUMBOLE-UHFFFAOYSA-N 433.331 2.477 0 40 IEAB C[C@H](CC(=O)N1CCN(CC(=O)Nc2cccc(F)c2)CC1)NC(=O)c1ccccc1 12799830 AOFQXYPVCZBQTB-QGZVFWFLSA-N 426.492 2.117 0 40 IEAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NCCCN1CCCC1=O 12912328 HGPFNUHBBHLFQN-UHFFFAOYSA-N 437.953 2.268 0 40 IEAB CN(C(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 12925654 MNEOAQAFNYDWRQ-CQSZACIVSA-N 441.571 2.196 0 40 IEAB COc1ccccc1NC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(CC(C)C)c1=O 13063263 SSTSHDKJKHSWCQ-UHFFFAOYSA-N 427.505 2.319 0 40 IEAB COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1cc(C)ccc1OC 15780557 ZOTFRPMYSXENCN-UHFFFAOYSA-N 426.516 2.353 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2ccccc2CSC2=NCCS2)NC(=O)NC1 18261777 OCUNVIQLLIQVIM-UHFFFAOYSA-N 435.527 2.309 0 40 IEAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)OCC(=O)c1ccc2c(c1)OCCCO2 19353119 SXYXERHHWNLZIP-UHFFFAOYSA-N 428.372 2.230 0 40 IEAB O=C(c1ccccn1)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1 19699448 UDOTTWFFCCYJMX-UHFFFAOYSA-N 447.539 2.273 0 40 IEAB O=C1N([C@H]2CCCN(C[C@@H]3CCOC3)C2)C(O)=NC12CCN(CCc1ccccc1)CC2 19699639 HWAOFJKEYSRTGL-VXKWHMMOSA-N 440.588 2.321 0 40 IEAB CC(=O)N1CCC[C@H](c2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)cc(N(C)C)n2)C1 19709714 HBWLXTRDFANZSB-INIZCTEOSA-N 449.552 2.228 0 40 IEAB O=C(N[C@@H]1Cc2ccc(S(=O)(=O)NCCNc3ccccn3)cc2C1)c1ccccc1 19749624 DXFDDRRTSHGFAH-HXUWFJFHSA-N 436.537 2.369 0 40 IEAB Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 19756258 AELULXBXHAAQBP-NRFANRHFSA-N 428.508 2.449 0 40 IEAB CCn1nc(C)c(CN2CCC(c3ccc(C(=O)N4CCOCC4)c(N)n3)CC2)c1C 19765779 BVXNICDLZQWUCL-UHFFFAOYSA-N 426.565 2.349 0 40 IEAB CC(C)n1c(N2CCN(C(=O)CCC(=O)O)CC2)nc2sc3c(c2c1=O)CCCC3 20730634 JHDZFNGUTWAYGV-UHFFFAOYSA-N 432.546 2.431 0 40 IEAB Cn1c(=O)c2ccccc2n2c(COC(=O)CCNC(=O)c3ccc(Cl)cc3)nnc12 22025728 ZRVKKTRPNKGMLG-UHFFFAOYSA-N 439.859 2.098 0 40 IEAB COc1cc(N2C[C@H](C(=O)Nc3cccnc3-n3cccn3)CC2=O)cc(OC)c1OC 23177094 YVWZZUMQEVEVJB-CQSZACIVSA-N 437.456 2.285 0 40 IEAB C[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)C1=O 23227381 ZBIVTXVKWOHONN-FQEVSTJZSA-N 428.470 2.240 0 40 IEAB CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 58120711 KEETZIIKGIAOSY-UHFFFAOYSA-N 436.965 2.351 0 40 IEAB COc1cc(OC)cc([C@@H](NC(=O)[C@@H]2CCCN(c3cnccn3)C2)c2nccn2C)c1 58162758 LGVNYOPFMZGOOE-IIBYNOLFSA-N 436.516 2.350 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3nccc4ccccc34)CC2)c1 58166618 BCTZSAREUOWGKE-UHFFFAOYSA-N 441.509 2.399 0 40 IEAB COC(=O)c1cc(CNC(=O)N2CCN(C(=O)c3ccccc3OC)CC2)ccc1OC 58171933 JGFBENPUSGZFAB-UHFFFAOYSA-N 441.484 2.158 0 40 IEAB CCn1c(=O)c(C(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)c(N)n(Cc2ccccc2)c1=O 69566380 JZHPEJDRXOZQPZ-PDGQHHTCSA-N 444.447 2.148 0 40 IEAB C[C@@H](C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 69978728 PPRAATHFJFDYBK-LBPRGKRZSA-N 433.910 2.231 0 40 IEAB O=S(=O)(NC1(c2nc(-c3cnccn3)no2)CCCCC1)c1ccc2c(c1)OCCO2 77197534 YDBDKKRUPNBFHC-UHFFFAOYSA-N 443.485 2.436 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21)Nc1ccc2c(c1)OCO2 95481496 SHSNGYSNCAQDKC-DLBZAZTESA-N 427.804 2.001 0 40 IEAB CCCSc1nc(Cl)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@H]43)c2n1 95707454 DUDSRYMPNIDSMX-RSLMWUCJSA-N 429.930 2.219 0 40 IEAB COc1ccc([C@H](O)[C@](Br)(I)S(C)(=O)=O)cc1 96521062 KXKRPUJMQBBADJ-UWVGGRQHSA-N 435.077 2.257 0 40 IEAB O=C(c1ccc[nH]1)N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(Cl)cc2)C3)CC1 97123564 KWLBTHGHIORGHT-GOSISDBHSA-N 440.891 2.129 0 40 IEAB CCOC(=O)c1nc(C)n(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 97162861 UOPCXIJJUXXJRM-UHFFFAOYSA-N 428.898 2.061 0 40 IEAB CC(C)CN1Cc2c(C(=O)NCc3ccccn3)ncn2-c2ccccc2S1(=O)=O 101851942 IQUQXZUUYSBKIU-UHFFFAOYSA-N 425.514 2.358 0 40 IEAB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(Br)c1 102176934 GIFDSKVGYUTHNM-BETUJISGSA-N 437.290 2.414 0 40 IEAB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc(C(=O)O)o1 110221777 LTMPTDHGJYGDOU-UHFFFAOYSA-N 430.438 2.164 0 40 IEAB COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c2ccccc2O1 222539418 SIRZTYUPMPDMIF-OXQOHEQNSA-N 444.509 2.055 0 40 IEAB C[C@H](NC(=O)CN(c1ccc(F)cc1F)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223878828 XNABWBORBULLQH-LBPRGKRZSA-N 446.497 2.012 0 40 IEAB COc1ccccc1OCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224276854 UJQJWHWHPGSWGK-UHFFFAOYSA-N 434.514 2.054 0 40 IEAB Cc1cn([C@H]2CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC[C@@H]2O)c(O)nc1=O 257218810 DEMJQGWRCLVIGZ-SFTDATJTSA-N 440.544 2.081 0 40 IEAB Cc1nc(C)n(CCC(=O)N2CCO[C@@H](c3cccc(-c4ccc(C(N)=O)cc4)n3)C2)n1 257343322 ZSKILVIIUAPSBY-OAQYLSRUSA-N 434.500 2.046 0 40 IEAB COc1ccc(NC(=O)c2nnc3n2C[C@H]2CN(C(=O)Cc4ccccc4)C[C@@H]2C3)cc1 306136714 QAVYPSCHXQVUTH-ZWKOTPCHSA-N 431.496 2.412 0 40 IEAB CCS(=O)(=O)N(CC(=O)Nc1cccc(C(=O)OC)c1C)c1ccc2c(c1)OCCO2 408706146 WAWUZJOETSLSNU-UHFFFAOYSA-N 448.497 2.348 0 40 IEAB COc1c(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)oc2ccccc12 1638949833 DKAKMZFSODQLRU-CRAIPNDOSA-N 426.444 2.401 0 40 IEAB Cc1cc(C)n(CC(=O)N2CCO[C@H](c3cccc(Nc4ncc(C)s4)n3)C2)c(=O)n1 2037834544 OZDUDLJVGINVOH-KRWDZBQOSA-N 440.529 2.364 0 40 IEAB COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1 628815 NEBXSJYCDXWMHU-UHFFFAOYSA-N 433.530 2.486 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 914599 CLAULDBLDIVIFI-UHFFFAOYSA-N 444.509 2.115 0 40 IEAB COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@H]1OS(=O)(=O)O 5048145 XBZJQPNSUUABAM-ONBYKIOGSA-N 434.514 2.474 0 40 IEAB in-vitro O=C(NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21)c1c(F)cccc1F 9016664 GHALUUNKSRMXDM-UHFFFAOYSA-N 427.386 2.489 0 40 IEAB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)N[C@@H]1CCS(=O)(=O)C1 9112664 MHIZVIHQRLDEFT-LLVKDONJSA-N 436.536 2.485 0 40 IEAB COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCN(C)CC4)c(F)cc3c2=O)cc1 9119277 BICRFQLPALMGST-UHFFFAOYSA-N 445.516 2.271 0 40 IEAB CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)N1CCN(c2ccccc2)CC1 9157844 ZZNGEIZDXUOGGG-UHFFFAOYSA-N 441.553 2.373 0 40 IEAB O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 9491341 LOFDICAHHUNLRF-UHFFFAOYSA-N 441.553 2.435 0 40 IEAB Cc1nn(CC(=O)N2CCc3ccccc3C2)c(C)c1S(=O)(=O)N(C)Cc1ccco1 9494149 FHJKAMJFXDDGPU-UHFFFAOYSA-N 442.541 2.499 0 40 IEAB CC(C)Oc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9569971 LQTPBBGAQNVSPO-UHFFFAOYSA-N 449.548 2.495 0 40 IEAB Cc1ccccc1Nc1nc(N)nc(CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)n1 9726834 RDYZSEUDDJGNPN-LBPRGKRZSA-N 447.546 2.158 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(C(=O)[C@H](C)N4CCCCC4)CC3)c(=O)c2c1C 12188653 ZXUOAQXYGZIJSY-INIZCTEOSA-N 432.590 2.303 0 40 IEAB COc1ccc(C2=NCC(=O)N(CC(=O)N3CCOCC3)c3sc(C)c(C)c32)cc1 12701277 PAJICGJMJVCEPG-UHFFFAOYSA-N 427.526 2.416 0 40 IEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 12794859 YVYJOLODKAXTKI-SJLPKXTDSA-N 434.489 2.277 0 40 IEAB CC1CCN([C@H](CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c2cccs2)CC1 12911512 YYBSERFSEDQYCE-QGZVFWFLSA-N 434.587 2.135 0 40 IEAB C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)c1ccc(F)cc1 13038109 UCBMUGOMNLZSPM-AWEZNQCLSA-N 441.475 2.288 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 13040502 DYHNKFIVPMLGEZ-QFIPXVFZSA-N 427.570 2.495 0 40 IEAB CCN(CC)CCOC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 13120961 JHTKDKTZFXHTEW-UHFFFAOYSA-N 444.532 2.378 0 40 IEAB CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc12 13555486 SFIQSYLELKEDNU-ZDUSSCGKSA-N 430.482 2.087 0 40 IEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccco3)cc(C(=O)NC[C@H]3CCCO3)c12 16993007 AYJOUYUJBIHTSG-LSDHHAIUSA-N 444.513 2.268 0 40 IEAB O=C(NCc1ccco1)C(=O)NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1 17169844 CJDHAPRNTMFYKH-QGZVFWFLSA-N 436.873 2.474 0 40 IEAB COc1ccc(CCNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)cc1OC 17965704 OOBKKPHKWDUESE-UHFFFAOYSA-N 447.538 2.288 0 40 IEAB Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC1)N2 19128555 WTACLBZQSNIGLA-QLFBSQMISA-N 434.484 2.152 0 40 IEAB O=C(N[C@H]1CSC[C@H]1O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 19372532 QNFKTFHWBYMCQV-MXEMCNAFSA-N 428.529 2.349 0 40 IEAB CCCN1CCN(C(=O)C2=NNC(=O)CC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19502914 VFWAXYWOGMHCBB-NRFANRHFSA-N 447.539 2.254 0 40 IEAB O=C(NCc1ccc2c(c1)OCO2)c1ccsc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 19640321 VAWQIHGWOSEKLB-OHFALNGGSA-N 444.465 2.224 0 40 IEAB CC(C)c1ncc(CN2CCO[C@H](c3cc(C(=O)NCCO)c4ccccc4n3)C2)cn1 19762072 LSGKCRDOTFDCQG-QFIPXVFZSA-N 435.528 2.444 0 40 IEAB Cc1ccnn1-c1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 23805641 NUKCRWHACNCODF-UHFFFAOYSA-N 434.525 2.208 0 40 IEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(Cc4nc5ccccc5s4)CC3)ccc21 23935882 GXLHZFRUIGYHSZ-UHFFFAOYSA-N 449.536 2.277 0 40 IEAB NS(=O)(=O)c1ccc(OCCOC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1 26244501 VGGMQPUTNVRKLL-UHFFFAOYSA-N 435.889 2.468 0 40 IEAB CC(=O)c1c(C)[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1C 31534613 DGQXEWNYIYGFJG-UHFFFAOYSA-N 443.447 2.398 0 40 IEAB O=S(=O)(c1ccccc1)N1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1 32809715 GXGRZEQWUMKXAE-UHFFFAOYSA-N 434.461 2.491 0 40 IEAB O=C(CNC(=O)c1ccc(OC(F)F)cc1)NCC1(N2CCOCC2)CCCCC1 33025939 SZZDWWYYSDLZNR-UHFFFAOYSA-N 425.476 2.169 0 40 IEAB COc1ccc(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C)ccc3O2)cc1OC 44851807 VGROGVLYQJVNPX-OAQYLSRUSA-N 448.541 2.288 0 40 IEAB COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccc(-n3[nH]c(=O)ccc3=O)c2)C1 89457718 KHVVVHHHLYJNPZ-MRXNPFEDSA-N 440.887 2.197 0 40 IEAB O=C(NC[C@H]1CCCN(c2nccn3cnnc23)C1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 89884737 TYVAOICRLUMXNW-QZTJIDSGSA-N 439.564 2.028 0 40 IEAB COc1ccc2occ([C@H](CC(=O)N3CCOCC3)c3oc(C)cc(=O)c3O)c(=O)c2c1 96116243 RNAIPOMIAZYESY-HNNXBMFYSA-N 441.436 2.150 0 40 IEAB biogenic COc1cc2c(cc1OC)CN(C(=O)CC[C@@H]1NC(=O)N(Cc3ccco3)C1=O)CC2 96222611 BUGWMIGWNDPHKN-KRWDZBQOSA-N 427.457 2.082 0 40 IEAB biogenic CCN(C(=O)[C@@H](C)OC(=O)C1C(C(=O)OC)=C(C)NC(C)=C1C(=O)OC)c1ccccc1 102077936 PBZNCSMKDKEGQJ-OAHLLOKOSA-N 444.484 2.085 0 40 IEAB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 223229182 GOXWCNMWSBKHEO-FQEVSTJZSA-N 449.548 2.308 0 40 IEAB CC(C)Sc1nnc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)s1 223941107 IONYKBUUFXHVBK-UHFFFAOYSA-N 430.533 2.172 0 40 IEAB CCSc1nnc(NC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)s1 225182642 ZCQUDTQEPWJYMM-JTQLQIEISA-N 444.560 2.215 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225192659 SXJYDKXOURRVDK-SFHVURJKSA-N 431.558 2.233 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@@H](Oc2ncccc2Br)C1 238868652 MJEKMPISXJZKEI-GFCCVEGCSA-N 441.303 2.457 0 40 IEAB C[C@]12C[C@@H]3N[C@H]1CCC[C@H]2N(C(=O)CN1CCCCS1(=O)=O)[C@@H]3Cc1ccccc1 257251077 JPHUWBKXRVQELX-FPQOSCNCSA-N 431.602 2.155 0 40 IEAB Cc1ccn(CCC(=O)NC[C@]2(c3ccccc3)CC[C@H](O)[C@@H](N3CCOCC3)CC2)n1 257251989 JTDQWJRUINNBET-SONWIMMPSA-N 440.588 2.272 0 40 IEAB C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1cncc(F)c1 679760609 SOYATYIQHABFCW-SECBINFHSA-N 443.298 2.213 0 40 IEAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(c2ccnc(C(F)(F)F)c2)C(=O)C1 1775972981 AHYPKDZIGOEJCE-UHFFFAOYSA-N 446.385 2.243 0 40 IEAB COc1ccccc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 2654399 OYAKXUQFJOVXDW-CSKARUKUSA-N 432.498 2.377 0 40 IEAB COC(=O)c1sc2nc(CN3CCN(c4ccccc4OC)CC3)[nH]c(=O)c2c1C 3287079 OFFYLVKAYFGHCF-UHFFFAOYSA-N 428.514 2.410 0 40 IEAB COCCCN(C(=O)c1ccc(F)cc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9508846 JPCGUVIEZHVNBV-UHFFFAOYSA-N 444.438 2.129 0 40 IEAB CN1CCN(c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCCO5)C3)cc2)CC1 9643249 QEBPVABPZQMTIJ-QGZVFWFLSA-N 436.512 2.201 0 40 IEAB CCOC(=O)c1nn(-c2cccc(Br)c2)c(=O)cc1OC(C(C)=O)C(C)=O 9761748 RXLSEGRLYOLNRY-UHFFFAOYSA-N 437.246 2.097 0 40 IEAB CCOc1ccc(-c2nnc3n(Cc4cccc(C)c4)c4c(=O)[nH]c(=O)n(C)c4n23)cc1 9827688 YCFGGARXQUTGSA-UHFFFAOYSA-N 430.468 2.493 0 40 IEAB Cc1nc(-c2ccc(CCNC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)s2)cs1 12396791 HQFWEZYQPBUGRV-UHFFFAOYSA-N 434.568 2.336 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1 12547894 YKQWOGKSNFTVOT-UHFFFAOYSA-N 426.498 2.219 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1NC(C)=O 12561041 ZDGQRMICEJSASQ-HNNXBMFYSA-N 447.513 2.363 0 40 IEAB O=C(Nc1ccc(Br)cc1Cl)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 12782726 GIWRYSIEBXIANU-SNVBAGLBSA-N 448.726 2.207 0 40 IEAB CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(C(=O)c2cnccn2)CCO1 19580823 IDFUYJJIPZUDQZ-XMMPIXPASA-N 431.496 2.081 0 40 IEAB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1N 19593673 YAEOIKPSHOWOEN-UHFFFAOYSA-N 440.528 2.336 0 40 IEAB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCOC)cc1Cl 22269352 LGRSHZHPLRDUFV-SFHVURJKSA-N 440.949 2.391 0 40 IEAB COc1ccc(OCCN(C)C(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)cc1 23648138 WMUYLQFXXRFYNL-FQEVSTJZSA-N 445.541 2.296 0 40 IEAB O=C(CCNS(=O)(=O)c1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 23883073 PITRHQILQWIDJI-UHFFFAOYSA-N 444.582 2.309 0 40 IEAB COc1ccc(C(C)=O)cc1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1 25678427 HQWOVARLAKKTBG-UHFFFAOYSA-N 436.555 2.343 0 40 IEAB NC(=O)C1CCN(C(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)CC1 26090239 XDZGDEKXYIXQGN-UHFFFAOYSA-N 428.539 2.263 0 40 IEAB COc1ccc(C(=O)NCCNc2cnccn2)cc1S(=O)(=O)Nc1ccc(C)cc1 31598389 KLUUTJHWNJKJFZ-UHFFFAOYSA-N 441.513 2.436 0 40 IEAB Cn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1 33537766 ATKCANAESWVJLA-UHFFFAOYSA-N 425.470 2.174 0 40 IEAB CN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)Cc1nc2ccccc2c(=O)[nH]1 35388165 ZATLTTNEHQACLY-IBGZPJMESA-N 434.496 2.490 0 40 IEAB CCOC(=O)[C@]1(O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc(OC)cc2)NC(=S)N1C 37224377 ZWLBDSMSFMWCMC-NPPFBWRTSA-N 428.510 2.307 0 40 IEAB O=C(NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)NCc1cccs1 38488567 UIADNXQCGWHELY-UHFFFAOYSA-N 440.566 2.229 0 40 IEAB CCCN(C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 57455984 FFLDDPINECSFFZ-GOSISDBHSA-N 427.998 2.196 0 40 IEAB CCN(C(=O)[C@@H](C)N1CCN(c2cc(Cl)ccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 57477994 UPEVHLJMHDZXID-SJLPKXTDSA-N 427.998 2.195 0 40 IEAB Cc1c(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@H](C)C2)cnn1-c1ccc(O)nn1 57644077 LAGTWCWUHQVLDL-IYBDPMFKSA-N 436.516 2.216 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@@H]3C3OCCO3)CC2)cc1C 69197299 GWAYTMNLUGYYCP-HXUWFJFHSA-N 436.574 2.458 0 40 IEAB O=C1N[C@]2(CCc3ccccc31)CN(Cc1ccccc1)C[C@H]2C(=O)NC[C@@H]1CCCCN1 72334408 HMMJJCHGCJNQLG-WFIHMLKPSA-N 446.595 2.492 0 40 IEAB O=S(=O)(N1CCOCC1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72371307 NCFGJSBYGJNGKJ-OAHLLOKOSA-N 440.953 2.051 0 40 IEAB CN1CCN(c2nccc(CN3CCC[C@H](c4cc(O)nc(-c5ccccn5)n4)C3)n2)CC1 72393256 NPZFTLFNVKJGME-SFHVURJKSA-N 446.559 2.166 0 40 IEAB COC(=O)C[C@@H](c1ccc(OCCn2cccn2)cc1)c1c(O)nc2ccccn2c1=O 96117792 WWTKTRZVAJIHCU-SFHVURJKSA-N 434.452 2.371 0 40 IEAB CCN1CC[C@]2(CN(C(C)=O)CC23CCN(C(=O)Nc2cccc(OC)c2)CC3)C1=O 96262678 IOCNQCCIYQFVAJ-QHCPKHFHSA-N 428.533 2.410 0 40 IEAB Cc1ccc(CCC(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224457519 YYZKWMWXKILPJL-UHFFFAOYSA-N 432.542 2.144 0 40 IEAB O=C(COCc1ccccc1)NCCCC[C@H](NC(=O)COCc1ccccc1)C(=O)O 263583496 BIZAZTPKKVIYSE-NRFANRHFSA-N 442.512 2.276 0 40 IEAB COC(=O)c1cc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc(C(=O)OC)c1 408629582 DUZHAZHNVJILHW-AWEZNQCLSA-N 448.497 2.361 0 40 IEAB COc1ccc(CCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 408704033 IRXWZFLJXZCUBP-UHFFFAOYSA-N 434.514 2.329 0 40 IEAB Cc1ccnn1CCC(=O)N1CCO[C@]2(CCCCc3ccccc3OCCNC2=O)C1 643556639 NYBXYWGVMVQVTL-XMMPIXPASA-N 440.544 2.101 0 40 IEAB CC[C@H](CO)NS(=O)(=O)c1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1OC 1425806 FGIQGRWIZFQIRF-OAHLLOKOSA-N 441.513 2.311 0 40 IEAB CCOC(=O)c1cnc(SCC(=O)Nc2ccc(NC(=O)CC)c(OC)c2)nc1N 4083285 IENKVXMXNOOWOM-UHFFFAOYSA-N 433.490 2.323 0 40 IEAB CC(C)Cn1c(N)c(C(=O)COC(=O)Cc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O 9129010 SBIMOYPSFBULFW-UHFFFAOYSA-N 442.299 2.061 0 40 IEAB COc1ccc(-c2nnc3ccc(SCC(=O)NC[C@H]4CCCO4)nn23)cc1OC 9415547 OJZCBMFMEZOLPZ-CQSZACIVSA-N 429.502 2.196 0 40 IEAB Cc1ccc(N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1 9415799 KMPYEKVRJXMINE-GOSISDBHSA-N 434.539 2.203 0 40 IEAB COc1cccc(NC(=O)Cn2c(=O)n(C)c(=O)c3sc4c(c32)COC(C)(C)C4)c1 9435252 GQGHGHYIZLGXDT-UHFFFAOYSA-N 429.498 2.260 0 40 IEAB C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NCc1ccc(F)cc1 9435277 SUIJUKCTXPXYBP-INIZCTEOSA-N 447.532 2.048 0 40 IEAB Cc1ccc(-n2nnc3c(=O)n(CC(=O)Nc4ccc5c(c4)OCO5)cnc32)cc1Cl 9517832 NWXHYEINOIHYJZ-UHFFFAOYSA-N 438.831 2.306 0 40 IEAB COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ncccc32)cc1OC 9660559 DXVDKMNQLDYEQN-UHFFFAOYSA-N 446.463 2.262 0 40 IEAB C[C@]1(c2ccc3c(c2)OCCCO3)NC(=O)N(CC(=O)c2ccc3c(c2)CCC(=O)N3)C1=O 9721329 HNZTXVIXEPMFDY-XMMPIXPASA-N 449.463 2.383 0 40 IEAB O=C1CN(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c2ccccc2N1 9824325 HTPXJVRGCLCMIA-UHFFFAOYSA-N 440.459 2.467 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c(=O)n2Cc1ccccc1 12559113 PEKYVRQFLPTKKN-JENIJYKNSA-N 437.544 2.369 0 40 IEAB CNC(=O)c1nn(CN(C)Cc2ccc(OC(F)F)c(OC)c2)c(=O)c2ccccc12 14206753 JGUNLLBWDCGHOH-UHFFFAOYSA-N 432.427 2.456 0 40 IEAB CNc1nc([C@@H]2CCCCN2C(C)=O)nc2c1CN(C(=O)CN1CCC(C)CC1)CC2 19710377 ZWWOOZXLAIMXFM-FQEVSTJZSA-N 428.581 2.208 0 40 IEAB Nc1nc(N2CCCC2)nc2c1[C@@H](C(=O)Nc1ccc(Br)cc1)CC(=O)N2 19819989 FCOVMBREIDYUEF-LBPRGKRZSA-N 431.294 2.486 0 40 IEAB Cc1cc(C(=O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1Cc1ccccc1 22785294 BXMHQHUPADPOEK-OAQYLSRUSA-N 429.586 2.141 0 40 IEAB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN([C@H](C)C(=O)NC(=O)NC(C)C)CC1 22915881 LFSBAKJEWUQLLR-CRAIPNDOSA-N 438.956 2.185 0 40 IEAB CN1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 26108759 DMDHKCMVRQLMOO-UHFFFAOYSA-N 434.389 2.309 0 40 IEAB CS(=O)(=O)N1CCN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 32490616 GEPPYNVHEWPJQG-HXUWFJFHSA-N 440.512 2.009 0 40 IEAB CN(CCCNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)Cc1ccccc1 32766071 NXLRZBZYDVWQGT-UHFFFAOYSA-N 430.574 2.121 0 40 IEAB O=C(NC[C@@H](O)COc1ccccc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 32914622 OKJFYBBQNDDWRC-RDOKFVIMSA-N 444.553 2.255 0 40 IEAB C[C@@H](NC(N)=O)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 32991022 DWXUHFYTZLZEEZ-VNUQYUTRSA-N 431.301 2.203 0 40 IEAB COc1cc(C(=O)N[C@H](C)C(=O)Nc2cnc3c(c2)c(C)nn3C)cc(OC)c1OC 40040250 JYHWRLPJGGCQKN-GFCCVEGCSA-N 427.461 2.060 0 40 IEAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1OCC 40051361 HELNSGGJDLBDPB-OAHLLOKOSA-N 439.520 2.411 0 40 IEAB CCOC(=O)c1sc(NC(=O)N2CCC[C@@H](CNC(N)=O)C2)c(C(=O)OCC)c1C 40149933 VTTQXQSFKPFAMZ-LBPRGKRZSA-N 440.522 2.322 0 40 IEAB COc1ccc(Cn2nnnc2CN(CCCO)Cc2cc3cccc(C)c3[nH]c2=O)cc1 57642670 ZTCFIVCUJDRYBQ-UHFFFAOYSA-N 448.527 2.265 0 40 IEAB COc1ccc(NC(=O)Cn2cc(NS(=O)(=O)c3ccc(C(=O)O)cc3)cn2)cc1 64478485 HUIAOPNVIZWHEX-UHFFFAOYSA-N 430.442 2.029 0 40 IEAB Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc2c1CCN(S(C)(=O)=O)C2 71889507 VMDBTROHSBSWHR-UHFFFAOYSA-N 429.477 2.285 0 40 IEAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2 72326316 SJNQLOZVUYLZDF-QMHKHESXSA-N 425.533 2.341 0 40 IEAB CS(=O)(=O)c1ccc(CC(=O)N2Cc3ccccc3OC[C@H]2Cn2ccnc2)cc1 72394833 JGIMWTFRUHPUHU-LJQANCHMSA-N 425.510 2.319 0 40 IEAB O=C(Nc1cc(-n2cncn2)ncn1)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 96025264 AUPNVDSERJMUDD-QGZVFWFLSA-N 427.472 2.369 0 40 IEAB CCN1CC[C@]2(CN(CCOC)CC23CCN(C(=O)Cc2cccc(F)c2)CC3)C1=O 96262796 GBDFFXIMPPQMMQ-DEOSSOPVSA-N 431.552 2.178 0 40 IEAB O=C([C@H]1CCCO1)N1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 96263548 CUXPIDSFMJILKL-LJQANCHMSA-N 434.558 2.268 0 40 IEAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223616648 KBCNVZTVOLHTCX-QGZVFWFLSA-N 449.548 2.454 0 40 IEAB COc1ccc(OCCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 224030879 ROPFJNIFCBZNAT-UHFFFAOYSA-N 434.514 2.297 0 40 IEAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O 224605764 OYCOVUNUEUGGRN-NRFANRHFSA-N 445.585 2.439 0 40 IEAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)NCC(=O)N1CCCCC1)NC2=O 247934347 GPJNWSOXGIIADN-NLITVAFESA-N 441.528 2.079 0 40 IEAB CCOc1cc(/C=c2\sc3ncnn3c2=O)ccc1OCC(=O)Nc1cccc(C)c1 256055922 ZARYUQQUBSBAPB-ODLFYWEKSA-N 436.493 2.423 0 40 IEAB CC1(C)[C@H]2C[C@H]3Oc4ccc(C(=O)NCCC5(O)CCCC5)c(O)c4[C@H](O)[C@@]3(O)[C@@H]1C2 257217607 CZSPSMIDTPOLFN-HLVXHJOFSA-N 431.529 2.409 0 40 IEAB CC(=O)N[C@H]1C[C@@H](C(=O)O)N(CC(=O)Nc2ccnn2C2CCCC2)[C@H]1c1ccccc1 257277159 NWRNZJABKKWEIO-IPJJNNNSSA-N 439.516 2.342 0 40 IEAB O=C(O)CCCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575426447 TWXZJTJEEAUFKQ-MRXNPFEDSA-N 440.543 2.058 0 40 IEAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)n(C(C)C)n1 2332241441 LXFBYIULEZMUMP-IAOVAPTHSA-N 426.514 2.120 0 40 IEAB COc1cc(/C=c2\sc3n(c2=O)CN(c2cccc(C)c2)CN=3)cc(OC)c1OC 2259779 XEWLQCCBWVBZFK-ODLFYWEKSA-N 425.510 2.128 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 2620609 FXTQXWVIWMXFLZ-UHFFFAOYSA-N 439.559 2.220 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2nnc(-c3ccncc3)n2C)c1 3285115 SGMDPEXHMHHHTH-UHFFFAOYSA-N 441.469 2.181 0 40 IEAB CN(Cc1ccccc1)C(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 9047906 WRMRVMKDQUGFCQ-GOSISDBHSA-N 447.532 2.001 0 40 IEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 9165794 CLRMEAXFUKUOKA-RBUKOAKNSA-N 430.526 2.061 0 40 IEAB CCc1c(C)sc2nc(SCC(=O)N3CCNC3=O)n(C[C@@H]3CCCO3)c(=O)c12 9181686 BAPLRRFNWJXQFX-LBPRGKRZSA-N 436.559 2.152 0 40 IEAB COCCn1c(CCC(=O)Nc2ccc(F)c(F)c2)nc2c1c(=O)[nH]c(=O)n2CC(C)C 9507789 RIUIEYVIOHPLGY-UHFFFAOYSA-N 449.458 2.038 0 40 IEAB O=C([C@H]1COc2ccccc2O1)N1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CC1 12934551 HCJRKCYJIZILTR-DHIUTWEWSA-N 435.524 2.334 0 40 IEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 13001238 BCFBXPOYOGAZBG-CYBMUJFWSA-N 426.498 2.197 0 40 IEAB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC(=O)Nc1ccc2c(c1)OCCO2 13134951 MPEMAJCQSFREPZ-UHFFFAOYSA-N 448.361 2.478 0 40 IEAB CCN(CC)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 13287476 QXURCPGHEWEPPV-KBPBESRZSA-N 446.953 2.163 0 40 IEAB COc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 14869024 ALEGQAWMSFFKBL-IRXDYDNUSA-N 448.541 2.302 0 40 IEAB Cc1noc(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(I)c1 17480795 WMOZZGKAFSKQPN-UHFFFAOYSA-N 449.270 2.155 0 40 IEAB CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccccc3)CC2)N[C@@H]1c1ccccc1OC 18156304 NMQFHBLMVOAWQI-LEWJYISDSA-N 436.512 2.224 0 40 IEAB Cc1ccc(-c2nnn(CC(=O)NCC(=O)Nc3ccccc3Br)n2)cc1 19018627 IDRBJNYDZZTPAQ-UHFFFAOYSA-N 429.278 2.166 0 40 IEAB Cc1cnccc1C(=O)N1CCc2nc([C@H]3CCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1 19239476 IDTBBZLDIFEWER-HXUWFJFHSA-N 444.495 2.044 0 40 IEAB COc1cc(CC(=O)N2CCC3(CC2)OCCc2cnc(C)nc23)cc(OC)c1OC 19287454 INFQPSMKXMCTDZ-UHFFFAOYSA-N 427.501 2.444 0 40 IEAB CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CCN(C(=O)CN1CCc3ccccc3C1)C2 19707306 CYVYIGLKNABPNL-QFIPXVFZSA-N 448.571 2.145 0 40 IEAB CC(=O)N1CCC[C@@H](c2nc(CN(C)S(=O)(=O)c3ccccc3)cc(N(C)C)n2)C1 19709711 HTAAEWZRERPMIX-QGZVFWFLSA-N 431.562 2.089 0 40 IEAB COc1cccc(CNc2cc(CC3CCN(S(=O)(=O)N(C)C)CC3)nc(C)n2)c1 19758668 ROYDGFCALRRHJW-UHFFFAOYSA-N 433.578 2.467 0 40 IEAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(C/C=C\c4ccccc4)CC3)C2=O)cc1 22933358 BWFKSXOESQXZOQ-ZQAYIGKJSA-N 433.508 2.436 0 40 IEAB COc1ccc(CN[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)N4CCc5ccccc54)N3C2)cc1 22936740 SLZJTAKIRGHAKY-IMSXRSKXSA-N 448.567 2.096 0 40 IEAB biogenic,in-vitro O[C@@H](COCCOc1ccccc1Br)CN1CCN(c2ccccn2)CC1 23109585 OAHSZTWEMLTVNJ-QGZVFWFLSA-N 436.350 2.423 0 40 IEAB CN1C(=O)c2ccc(NC(=O)CSc3nnnn3-c3ccc(Cl)cc3)cc2C1=O 25482274 ZKHBSQFMAQDEEE-UHFFFAOYSA-N 428.861 2.272 0 40 IEAB COc1ccc(OC)c(CN(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)C2CC2)c1 25809836 OCKBVWIWQCWDLP-UHFFFAOYSA-N 436.468 2.242 0 40 IEAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 30134203 BUVFAKDHPBCCHY-UHFFFAOYSA-N 445.585 2.096 0 40 IEAB O=C(NCc1ccc(OC(F)F)cc1)C1CCN(S(=O)(=O)c2cccnc2)CC1 32826746 LGULQOCEFPOKEL-UHFFFAOYSA-N 425.457 2.400 0 40 IEAB COCCn1c(CCC(=O)Nc2cc(C)ccc2F)nc2c1c(=O)[nH]c(=O)n2CC(C)C 32964028 KDBMPBCLINFQIB-UHFFFAOYSA-N 445.495 2.208 0 40 IEAB O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3cccc(Cl)c3)CN21)NCc1ccccc1 35442273 CEWWHRAKSTVPLI-BDTNDASRSA-N 440.975 2.468 0 40 IEAB biogenic,in-vitro O=C(CN1CCN(c2ccc(F)cc2)CC1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 58173873 VOVHBVCXCSCYML-JOCHJYFZSA-N 445.560 2.164 0 40 IEAB Cc1nc2cc(C(=O)N3CCC4(CC3)Nc3ccccc3S(=O)(=O)N4)ccc2n1C 72325698 CJIGZKRTDZFYME-UHFFFAOYSA-N 425.514 2.218 0 40 IEAB Cc1c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(OC(F)(F)F)cc3)=C2)cnn1C 72337123 VUCUQSBJJJYINO-UHFFFAOYSA-N 443.407 2.129 0 40 IEAB CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 78870261 PCDWNCKINLERJN-MSOLQXFVSA-N 430.592 2.143 0 40 IEAB COc1cc2c(cc1OC)CN(C(=O)CCc1nnc3ccc(OC(C)C)nn13)CC2 79483946 GHVHTEFJBJEPKH-UHFFFAOYSA-N 425.489 2.446 0 40 IEAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccc(N2CCCS2(=O)=O)cc1 95479661 ZEFUSZOGARGLNG-SFHVURJKSA-N 442.497 2.345 0 40 IEAB COc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 224345931 XTRDIYJTFAQRSJ-UHFFFAOYSA-N 432.542 2.432 0 40 IEAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NCCOC)ccc21 225692043 JPVDURAMGVJSLS-UHFFFAOYSA-N 435.527 2.260 0 40 IEAB O=C(c1cc(Br)ccc1Cl)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1 238967081 ZBDJAAUSJGILSC-UHFFFAOYSA-N 447.742 2.362 0 40 IEAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)OC[C@]1(C)O 257236995 HETSMESDHOKZKI-FPOVZHCZSA-N 431.464 2.132 0 40 IEAB O=C(NCCCN1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408598079 ZLYMFCHCRGNGIK-OAQYLSRUSA-N 445.585 2.079 0 40 IEAB COc1ccc(N(CC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)cc1 408616245 FIVVHUONCXFBBY-RMKNXTFCSA-N 443.569 2.319 0 40 IEAB CCOc1cc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)c(Br)cc1O 409209830 JHLAPLBBCSTKMX-WZUFQYTHSA-N 429.292 2.126 0 40 IEAB CCN(CC)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2cccnc12 575426096 MMPUDUGMLMZRFZ-GOSISDBHSA-N 439.603 2.145 0 40 IEAB COc1ccccc1N1CCN(CC(=O)N2CCC[C@@H](Oc3cc(C)nc(C)n3)C2)C1=O 575608507 GGSQWLLSROOZME-GOSISDBHSA-N 439.516 2.414 0 40 IEAB CN(C(=O)c1cc(C(C)(C)C)n[nH]1)C1CN(c2ccc3nnc(-c4cccnc4)n3n2)C1 1775970902 JEOYTERCLXVTOL-UHFFFAOYSA-N 431.504 2.168 0 40 IEAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCC2CCN(c3ncc(F)cn3)CC2)cc1 1888890736 UHWSTGLXDGMWQW-UHFFFAOYSA-N 434.537 2.373 0 40 IEAB Cn1c(NNC(=S)NC(=O)c2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 2217340 USUJSEGQHKRNRP-UHFFFAOYSA-N 443.554 2.478 0 40 IEAB Cn1c(=O)n(CCCO)c(=O)c2c1nc1n2CCN1c1ccc(Oc2ccccc2)cc1 2341352 PHHHGXGNUGZJFN-UHFFFAOYSA-N 433.468 2.223 0 40 IEAB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 3545504 DAGAXPNBYQOPRM-UHFFFAOYSA-N 427.844 2.435 0 40 IEAB COc1cc2ccccc2cc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 3571166 FWNWSKZJEQIHHZ-UHFFFAOYSA-N 442.493 2.012 0 40 IEAB COCCNC(=O)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1 4093141 FSOSRSUPOINGRY-QHCPKHFHSA-N 444.495 2.363 0 40 IEAB O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 9435826 PUPPJIWTPYHSPF-UHFFFAOYSA-N 434.543 2.309 0 40 IEAB O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9439696 LQMMIENPAZIMFK-UHFFFAOYSA-N 446.920 2.417 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1 9509556 MKJLGCOLLXIEKT-SFHVURJKSA-N 443.550 2.053 0 40 IEAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)NN1C(=O)NC2(CCCCC2)C1=O 9713854 VLSICMNWQGPGCC-QGZVFWFLSA-N 442.516 2.271 0 40 IEAB O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1cccs1 9743177 CLCLNVSSSAFTTP-MRXNPFEDSA-N 435.571 2.114 0 40 IEAB CCc1cc(O)n2nc([C@H]3CCCN(C(=O)Cc4n[nH]c(=O)c5ccccc45)C3)cc2n1 12134581 CYSQYDTZJOZVFL-AWEZNQCLSA-N 432.484 2.183 0 40 IEAB CC(C)[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(C(C)(C)C)cc1 12551357 VYJZAKDXTWIMPM-GOSISDBHSA-N 425.533 2.245 0 40 IEAB COc1cccc(CNC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)c1 12602791 ZNAOKJNSBDNGEI-UHFFFAOYSA-N 430.530 2.081 0 40 IEAB COc1ccc(C(NC(=O)Cn2nnn(-c3ccccc3)c2=O)c2ccc(OC)cc2)cc1 12755333 KFJNSEWWYMFJQW-UHFFFAOYSA-N 445.479 2.352 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2COc3ccccc3O2)cc1 12760001 HPNRHCHMUMBVDD-AUUYWEPGSA-N 448.497 2.084 0 40 IEAB CN(CC(=O)Nc1ccc(F)cc1)CC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 13058639 CAMFXKNMOSNDAC-IBGZPJMESA-N 439.553 2.044 0 40 IEAB O=C([C@@H]1CN(C(=O)Cn2cnc3sccc3c2=O)c2ccccc2O1)N1CCCCC1 13116144 IJGCPSSEDOTVGO-SFHVURJKSA-N 438.509 2.265 0 40 IEAB CC(C)CN(C(=O)CN1CCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 15634502 RMULIZXUUHZVLQ-UHFFFAOYSA-N 447.539 2.219 0 40 IEAB CCN(C(=O)[C@H](C)OC(=O)c1ccc(-n2nc(C)cc2C)cc1)[C@H]1CCS(=O)(=O)C1 16716858 JUGLKGSYCWECFY-LPHOPBHVSA-N 433.530 2.070 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1 18157983 LZJFLHJCCNRGMR-QGZVFWFLSA-N 427.530 2.430 0 40 IEAB C[C@@H](C(=O)N1CC[C@@H](c2nc(O)c3c(n2)CN(C2CCCCC2)CC3)C1)N1CCCC1=O 19077712 HIZNKYMNVCHKJN-DLBZAZTESA-N 441.576 2.200 0 40 IEAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 19587209 WHZWQEVKBRYICN-QFQXNSOFSA-N 448.567 2.466 0 40 IEAB CNc1cc(CNC(=O)[C@H](c2ccc(F)cc2)N2CCOCC2)nc(-c2ccncc2)n1 19592313 RWSMMQKPUCJDTM-NRFANRHFSA-N 436.491 2.409 0 40 IEAB Cc1ccc(S(=O)(=O)N2CC[C@@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)cc1C 19757662 AVYHRDHGELFLRS-GOSISDBHSA-N 444.557 2.052 0 40 IEAB COC(=O)CC[C@H](NC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1)C(=O)OC 20726596 GQOZIEFEUMVZSM-MAUKXSAKSA-N 434.880 2.215 0 40 IEAB CC(C)CN1CCO[C@@H](CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 22382318 IMDMYJJTWZFPDR-HNNXBMFYSA-N 432.590 2.269 0 40 IEAB O=c1[nH]c(CN2CCN(C[C@H](O)COCc3ccccc3Cl)CC2)nc2ccccc12 22766673 XLSQYPNGIYVTFP-SFHVURJKSA-N 442.947 2.272 0 40 IEAB CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCN(CCO)CC2)cc1 22854620 VFIBWGWBBNFBEJ-SFHVURJKSA-N 431.562 2.157 0 40 IEAB COc1ccc(OCCN2CCN(CC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cc1 22933741 IUAHMDWGWRZONN-UHFFFAOYSA-N 440.544 2.139 0 40 IEAB O=C(N[C@H]1CCC[C@@H](OCC(F)(F)F)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 32402099 FPRCUDXYKQIBBU-WCQYABFASA-N 426.395 2.040 0 40 IEAB CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)cc1Br 32770619 XDGARIIJDWEDOL-CQSZACIVSA-N 447.351 2.305 0 40 IEAB COc1ccccc1[C@H](NC(=O)COCc1nc2ccccc2c(=O)[nH]1)c1nccn1C 32908415 VCJAIJDLPSMKBT-NRFANRHFSA-N 433.468 2.088 0 40 IEAB CN1CCCN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c2nc3ccccc3nc21 40062735 LUQYQMFQESMDQL-LJQANCHMSA-N 447.474 2.062 0 40 IEAB C[C@H]1CCCCN1Cc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 40112374 LVBNCGQZPWWRLZ-KRWDZBQOSA-N 428.558 2.175 0 40 IEAB O=C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCC[C@@H](N2CCNC2=O)C1 58173922 DIDAXCHSFSVDHZ-GOSISDBHSA-N 432.480 2.113 0 40 IEAB CC(=O)Nc1ccc(NC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)cc1 67235406 XJKHWOBDSPJABY-UHFFFAOYSA-N 445.479 2.303 0 40 IEAB CN(c1ccsc1C(=O)NCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 67245540 SMWXCDPMHWGLGH-UHFFFAOYSA-N 443.978 2.289 0 40 IEAB COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)O[C@@H]2O 67665222 LXQCMXKVEDZJIB-UFLVNOIUSA-N 449.500 2.015 0 40 IEAB in-vitro O=C(Cn1cc(C(F)(F)F)ccc1=O)NC1CCN(C(=O)NC2CCCCC2)CC1 69947083 XPWOLRLDDWKLAS-UHFFFAOYSA-N 428.455 2.490 0 40 IEAB COc1ccccc1NC(=O)Cn1c(=O)n(C(C)C)c(=O)c2cc(OC)c(OC)cc21 71280600 GFAKMHSPZPUEHP-UHFFFAOYSA-N 427.457 2.409 0 40 IEAB C[C@H](CNC(=O)[C@H](C)N1CC[C@]2(CCC1=O)NC(=O)c1cccnc1N2)c1ccccc1 72326371 AIWLLDIZFXKABD-KCYKTTMJSA-N 435.528 2.254 0 40 IEAB Cn1nnc(-c2ccc(OCC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)n1 96230874 PUHKAJNXKKYQLH-UHFFFAOYSA-N 427.892 2.420 0 40 IEAB Cc1n[nH]cc1C(=O)N1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC3CC3)[C@H]2CC1 96263959 BFWGDLBLFSXYMN-ROUUACIJSA-N 430.530 2.185 0 40 IEAB COc1ccc(CCNc2c(N3CCN(Cc4ccccc4)CC3)c(=O)c2=O)cc1OC 101698021 IMBFSVKANINYPY-UHFFFAOYSA-N 435.524 2.277 0 40 IEAB COc1ncc(C2(O)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(OC)c(OC)c2)c(OC)n1 105717070 XSWMGQKTXONNNP-SZLXDWMPSA-N 429.473 2.166 0 40 IEAB Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1N(C)S(C)(=O)=O 222472285 JBYRHRBUTAJKNH-UHFFFAOYSA-N 428.514 2.441 0 40 IEAB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(CC(N)=O)cc1 222783745 MCRBYXYTLSQZHL-UHFFFAOYSA-N 445.541 2.215 0 40 IEAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1 224248802 VEGPLLDQPZOJAU-GOSISDBHSA-N 436.530 2.298 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2cccc3ccccc23)CC1 252537262 KUVFGXPHIFHSPF-UHFFFAOYSA-N 448.570 2.265 0 40 IEAB Cc1ncsc1CN1CC[C@@H]2C(N3CCN(C(=O)c4ccccc4)CC3)=NO[C@@H]2C1 306140441 UTUGCDBRRGZVBK-RBUKOAKNSA-N 425.558 2.444 0 40 IEAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2)c1F 390828513 RNQAAOQFNBNNET-LLVKDONJSA-N 429.420 2.468 0 40 IEAB O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CC[C@@H](c3ccc4c(c3)CCO4)C2)cc1 585148967 NIRNALODTXLKLX-QGZVFWFLSA-N 426.494 2.453 0 40 IEAB CCOc1ccccc1CN1CCC2(CCCCOCCNC(=O)[C@H](C)NC2=O)CC1 643565957 NPMUTNIJTPZDPQ-IBGZPJMESA-N 431.577 2.489 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC[C@]3(CC(C(=O)Nc4cccc(Cl)c4)=NO3)C2)c1 1258995717 XCOURVXVERFKDP-SFHVURJKSA-N 437.909 2.012 0 40 IEAB CC(C)N1C(=O)c2ccccc2[C@H](C(=O)N2CCOCC2)C12CN(C(=O)C(C)(C)C)C2 1549174677 PSVHJFNYMHHJKJ-LJQANCHMSA-N 427.545 2.120 0 40 IEAB Cc1ccc(OCC2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)nn1 1775985998 NUKZUSGECWRARV-INIZCTEOSA-N 441.557 2.185 0 40 IEAB Cc1cc(=NC(=O)CN2CCC3(CC=CCc4ccccc4OCCNC3=O)CC2)[nH]o1 2037879677 KTEKWBUAVVADSI-UHFFFAOYSA-N 438.528 2.123 0 40 IEAB O=C(CN(C[C@@H]1CCCO1)C(=O)CCC(=O)Nc1nccs1)NCc1ccccc1 8680668 DTFULHZIJPGYDH-KRWDZBQOSA-N 430.530 2.186 0 40 IEAB COc1ccc(NCCCn2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1Cl 8992762 OLJFGBHTAHGFDV-UHFFFAOYSA-N 444.923 2.467 0 40 IEAB COc1ccc(C(=O)Nc2nc3c(s2)CC[C@H]3C(=O)N2CCC(C(N)=O)CC2)cc1 9301766 IQXCJMGZBMEBLL-OAHLLOKOSA-N 428.514 2.158 0 40 IEAB CCN(c1ccc(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1)S(C)(=O)=O 9494662 JBWGMIJDWKGDOC-QFIPXVFZSA-N 441.509 2.049 0 40 IEAB O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)cc1 9767557 DPQDSVPGVPQNPZ-UHFFFAOYSA-N 444.431 2.271 0 40 IEAB CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ncccn2)CC1 12785204 PUZJJAQAIBJKCY-QGZVFWFLSA-N 446.349 2.342 0 40 IEAB COc1ccc2cc(CN(C)C(=O)Cn3cc(Br)c(=O)[nH]c3=O)ccc2c1 12793447 PVTOFXWHNSHLCG-UHFFFAOYSA-N 432.274 2.120 0 40 IEAB CS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(I)cc2)cc1 12855633 OWQUYAJEUBYLKX-UHFFFAOYSA-N 438.264 2.462 0 40 IEAB O=c1[nH]c2ccccc2n1C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 13128547 OANRWFCGSBPZQU-UHFFFAOYSA-N 427.530 2.351 0 40 IEAB CCc1cc2c(SCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)ncnc2s1 13133856 MTJVCQVYYUQJPA-UHFFFAOYSA-N 436.584 2.352 0 40 IEAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1c(C(=O)N3CCOCC3)oc3ccccc13)CS2 14672476 IGMQASDDVRTHJS-LHSJRXKWSA-N 429.498 2.298 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3C4CCC(CC4)[C@@H]3C(=O)O)CC2)c1 17099022 YSSHBUWXFBVHDW-WXDAQCLHSA-N 434.558 2.273 0 40 IEAB Cc1cc(-c2cnc(C)nc2CN(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)on1 19123566 UXNUCXAZLRQIQP-UHFFFAOYSA-N 445.526 2.483 0 40 IEAB CN1[C@@H](CCC(=O)NCc2cccs2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1cccs1 22923070 AABCUMMNELBAAF-CVAIRZPRSA-N 432.615 2.279 0 40 IEAB biogenic,in-vitro CN(C)C(=O)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 34872573 GFHDMMJRMWICJU-QFIPXVFZSA-N 427.570 2.311 0 40 IEAB COc1ccc(Cl)cc1N1C[C@H](C(=O)O[C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1=O 35271254 XSMUIGUQAKVJGK-BYNSBNAKSA-N 438.908 2.269 0 40 IEAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 38592039 YJXJJMVFYBCPIT-UHFFFAOYSA-N 444.553 2.186 0 40 IEAB CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)N(C)C(=S)N2CC(=O)OC)c2ccccc21 39556697 ODYLCZXEGRWHPS-WQRHYEAKSA-N 442.541 2.083 0 40 IEAB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@H](C(=O)NCCc1ccccc1)CC(=O)N2 40400071 JZVZSUHZCBYDMO-OAHLLOKOSA-N 433.468 2.307 0 40 IEAB Cc1nnnn1-c1ccc(F)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)c1 65552466 JEHXBVKPVCPSQB-UHFFFAOYSA-N 448.455 2.286 0 40 IEAB Cn1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)cn1 72399101 HVKGZFVGDPSREF-IBGZPJMESA-N 438.557 2.491 0 40 IEAB CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1 89947864 PYFQTWVDQBWGHL-IBGZPJMESA-N 430.526 2.485 0 40 IEAB CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CCN(S(=O)(=O)CC(C)C)C2 96262162 LGFCQDRGJKIGMZ-OAQYLSRUSA-N 436.578 2.061 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 107502273 FGCFOBOEVXFZHN-FHWLQOOXSA-N 437.606 2.085 0 40 IEAB COc1cc(N(CC(=O)NCCc2ccccc2)S(C)(=O)=O)c(OC)cc1Cl 220052486 NEQIVAXOMXSZES-UHFFFAOYSA-N 426.922 2.482 0 40 IEAB CCOC(=O)C1CCN(C(=O)CCCN(c2cccc(OC)c2)S(C)(=O)=O)CC1 222591385 ZWMVWZOGQQANBW-UHFFFAOYSA-N 426.535 2.043 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 225192995 UGPYHZNLEOHCJA-HNNXBMFYSA-N 437.949 2.269 0 40 IEAB CCn1cc(CN2C[C@H]3[C@@H](C2)Oc2ncccc2S(=O)(=O)N3Cc2ccccc2)cn1 306141976 WLSPFYIXCVGNEJ-VQTJNVASSA-N 439.541 2.134 0 40 IEAB COCCCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1 408615274 OHMYYDIQVRVMBW-INIZCTEOSA-N 443.475 2.349 0 40 IEAB O=S1(=O)C[C@H](O)[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 575425197 QLLZXWCUFDDSRP-HOTGVXAUSA-N 436.338 2.347 0 40 IEAB COc1nc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)nc(N2CCCCC2)n1 575606869 MGLQHNRXUUKOTA-UHFFFAOYSA-N 431.440 2.368 0 40 IEAB COc1ccc(S(=O)(=O)NCC(O)(c2cccs2)c2cccs2)cc1C(N)=O 618255790 ZHDWIMRTKHOVKQ-UHFFFAOYSA-N 438.552 2.132 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N(C)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1 1565523463 PTMCGCWHWNBYFE-UHFFFAOYSA-N 448.524 2.079 0 40 IEAB O=C(c1ccc(Cl)cn1)N1CCN2[C@H](C1)C(=O)N(Cc1ccccc1)C21CCOCC1 1772595277 IVMMFQOYCXZTTQ-HXUWFJFHSA-N 440.931 2.411 0 40 IEAB COc1ccccc1N1CCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)CC1 2917265 JBXOFFYJRBUDAQ-UHFFFAOYSA-N 431.496 2.466 0 40 IEAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NC(=O)CN1CCCC1=O 3387546 YIMZTJVHAGYXBT-UHFFFAOYSA-N 441.538 2.353 0 40 IEAB Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1C 3557091 IEGDXPRLBMWRQI-UHFFFAOYSA-N 430.526 2.150 0 40 IEAB O=C(CSc1nnnn1C[C@H]1CCCO1)Nc1ccccc1C(=O)NC1CCCC1 8778072 PFZMUPHLUKZWIB-OAHLLOKOSA-N 430.534 2.255 0 40 IEAB CCOc1ccc(N2CCn3c2nn(CC(=O)Nc2cc(C)cc(C)c2)c(=O)c3=O)cc1 8849393 VXNUVAPZLCUYBJ-UHFFFAOYSA-N 435.484 2.211 0 40 IEAB O=C(NCCCn1ccnc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 9130003 TTZBJATVALAXOS-SFHVURJKSA-N 430.555 2.267 0 40 IEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)Cn2cnc3ccccc32)c1 9403854 HPQORUGJRDTIND-UHFFFAOYSA-N 444.513 2.249 0 40 IEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc1Cl 9525873 ADFQWJPZYVFSQV-OAHLLOKOSA-N 429.860 2.324 0 40 IEAB O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1Cl 9569875 UVECBROBWYWNNE-UHFFFAOYSA-N 425.913 2.361 0 40 IEAB Cc1ccccc1-c1nnc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)o1 9631741 SIBRPFLISXKJAW-UHFFFAOYSA-N 432.527 2.143 0 40 IEAB CCc1nnc(NC(=O)CSc2ncc(C(=O)Nc3ccc(C)cc3)c(=O)n2C)s1 12236879 KSICRRIYIZUFBB-UHFFFAOYSA-N 444.542 2.486 0 40 IEAB COc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc(OC)c1OC 12378140 ZGOUDKFAVNNPGG-UHFFFAOYSA-N 433.486 2.030 0 40 IEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2COc3ccccc3O2)cc1 12760008 HPNRHCHMUMBVDD-IFXJQAMLSA-N 448.497 2.084 0 40 IEAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 13690899 MKTKLCLKUIBEIR-FPOVZHCZSA-N 428.554 2.263 0 40 IEAB C[C@H](C(=O)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 14200502 RGELPPVZRYDVAP-AGIUHOORSA-N 443.525 2.470 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2ccccc2)CC1 16187679 SVUSXKADHISYGS-UHFFFAOYSA-N 437.949 2.318 0 40 IEAB CCOc1ccc(CCNS(=O)(=O)c2c(C)nc3sccn3c2=O)cc1OCC 16692973 XJGNATOAPCLHLF-UHFFFAOYSA-N 437.543 2.383 0 40 IEAB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc4nsnc34)C2=O)cc1OC 19078520 YLYAJTPXGPJPHX-FQEVSTJZSA-N 441.469 2.114 0 40 IEAB O=C(NC[C@H]1CCCO1)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3 19372429 NLNYHLDRXSFZPZ-HXUWFJFHSA-N 432.524 2.364 0 40 IEAB Cc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)n1 19558362 WCTINRSLWHQIIR-SFHVURJKSA-N 447.561 2.392 0 40 IEAB Cc1nc([C@H]2CCCCN2S(=O)(=O)N(C)C)nc2c1CC(=O)N2Cc1cccc(F)c1 19739684 QABGEUMCDHLVJV-GOSISDBHSA-N 447.536 2.347 0 40 IEAB CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc(OC)c(OC)c2)cc1 20019626 GZNQUXXWIHHPEM-HNNXBMFYSA-N 436.530 2.476 0 40 IEAB O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(F)c(F)c1F 20020648 ALBBLJBEEPQDRP-UHFFFAOYSA-N 430.404 2.142 0 40 IEAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 22804966 ZKXZDZPHHUBXJS-QPJJXVBHSA-N 436.512 2.437 0 40 IEAB O=C1NC(=O)[C@@]2(Cc3ccccc3N3CCSC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2 36056356 VZQGAPHWCYRBPY-AVRDEDQJSA-N 437.477 2.163 0 40 IEAB COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3ccnc(-n4cccn4)c3)CC2)c1 40108734 GEWIJUVUGXUMLU-UHFFFAOYSA-N 449.511 2.453 0 40 IEAB COc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccccc4)nn3)CC2)cc1OC 49405840 NJHBCPPCKYVVLA-UHFFFAOYSA-N 435.484 2.319 0 40 IEAB Cc1nc(NC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)sc1C 72326404 DFBOLYHQRHKRSF-MPBGBICISA-N 428.518 2.046 0 40 IEAB O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccc(-n2cccn2)nn1 77100914 NYSFLMYKECRSGL-UHFFFAOYSA-N 441.499 2.027 0 40 IEAB Cn1nc([C@@H]2CCCN(C(=O)c3cnn(-c4ccccc4)n3)C2)n(-c2ccccc2)c1=O 77148972 DEYXBJBXLIMYKB-QGZVFWFLSA-N 429.484 2.172 0 40 IEAB Cn1nc(-c2ccccc2NC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)ccc1=O 96025125 AIUWYXSQTZZBBZ-CYBMUJFWSA-N 435.509 2.168 0 40 IEAB O=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 96122139 UMESMMJMBIODSV-UHFFFAOYSA-N 425.406 2.166 0 40 IEAB CN(C)S(=O)(=O)N1CCC2(CC1)CN(S(=O)(=O)c1ccccc1)Cc1ccccc12 96242510 JKMJWKCIWMAURX-UHFFFAOYSA-N 449.598 2.031 0 40 IEAB O=C(Cn1nc2n(c1=O)CCCCC2)Nc1ccnn1Cc1cccc(Br)c1 107863564 SQFZWADTQLCYNT-UHFFFAOYSA-N 445.321 2.417 0 40 IEAB COc1cccc(OCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 223873491 FSZSXHFWGOIFHU-UHFFFAOYSA-N 430.885 2.449 0 40 IEAB CC1CCN(c2cc(N3CCCCC3)nc(NC(=S)NCCN3CCOCC3)n2)CC1 225903406 SEPZDEFGIUGACD-UHFFFAOYSA-N 447.653 2.322 0 40 IEAB O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 247742190 OYJGBRJIJGGDCV-IEFKJCAQSA-N 432.524 2.456 0 40 IEAB Cc1ccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C(=O)N1CCCCC1 408626257 VLLWDNAKWPEMNC-UHFFFAOYSA-N 437.543 2.069 0 40 IEAB CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(Br)cc1 409264005 JBTMKOMCSQJAQC-UHFFFAOYSA-N 441.303 2.260 0 40 IEAB CC(=O)NC1CCN(C[C@]2(O)CCN(Cc3ccc(OCc4ccccn4)cc3)C2)CC1 585270560 ZRGGBZHMPVVRLB-RUZDIDTESA-N 438.572 2.198 0 40 IEAB COc1ccccc1CCC(=O)N1CCO[C@@](COc2ccc(F)cc2)(CC(N)=O)C1 585282976 LBYKNQWOXGFAPX-QHCPKHFHSA-N 430.476 2.319 0 40 IEAB O=C(NCCO[C@H]1CCCCO1)c1ccc(C(=O)NCCO[C@H]2CCCCO2)s1 646305443 MZSDPARAQZYOAU-ROUUACIJSA-N 426.535 2.294 0 40 IEAB CS(=O)(=O)c1ccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ncc(C(F)(F)F)[nH]2)cc1 1565552844 YPOQDPQNZRTKPD-GJZGRUSLSA-N 442.463 2.207 0 40 IEAB CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccccc4OC)sc3nc2=O)cc1 2412592 NNUNRVOIWVHRGD-ZHZULCJRSA-N 435.505 2.447 0 40 IEAB Cc1ccc2nc(COC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc(=O)n2c1 8883910 LQKHUDQZSBBZMU-UHFFFAOYSA-N 441.509 2.147 0 40 IEAB CN1CCN(c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)cc2)CC1 9368073 YHBQHUAXXUAHQS-UHFFFAOYSA-N 442.585 2.478 0 40 IEAB O=C(CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)NCc1ccccc1Cl 9546921 HDFSISAPSLSRIM-QGZVFWFLSA-N 449.960 2.173 0 40 IEAB COc1ccccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O 9605801 QPXZBOKWUBWILF-QFIPXVFZSA-N 425.441 2.262 0 40 IEAB O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)NC(=O)NCc1ccccc1 9671671 UDJGIGUDOIBLSH-UHFFFAOYSA-N 430.530 2.299 0 40 IEAB COc1cccc(C(=O)N2CCN(c3ncnc4c3nnn4Cc3ccccc3)CC2)c1 9851695 RGVAZXWJEBGGIK-UHFFFAOYSA-N 429.484 2.241 0 40 IEAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1=O 12164910 GYSJTMZPCZNLQG-OAHLLOKOSA-N 443.525 2.436 0 40 IEAB COc1ccc(CCNC(=O)COC(=O)c2cc(OC)c(OC)cc2OC)cc1OC 12563859 DARHZLNDDGPJBG-UHFFFAOYSA-N 433.457 2.245 0 40 IEAB O=C(CCn1cnc2cc(F)ccc2c1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12825345 YFBQUTNCSQTGAX-UHFFFAOYSA-N 444.488 2.349 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C)c(C)c4C)nn3)CC2)cc1 13009368 MHACMQWOAQITJQ-UHFFFAOYSA-N 442.545 2.107 0 40 IEAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCOCC2)C1 13082933 LPMXAIUIVUOVMN-IRXDYDNUSA-N 430.574 2.492 0 40 IEAB COc1ccc(-c2noc(COC(=O)CCN3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)c(OC)c1 13163580 DDNXPMHVQMNKJT-GASCZTMLSA-N 441.440 2.138 0 40 IEAB COc1ccc(/C=C(/NC(=O)c2ccc(OC)c(OC)c2)C(=O)N2CCOCC2)cc1 13601746 YIMACERQJNSZMD-XMHGGMMESA-N 426.469 2.342 0 40 IEAB Cc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C=O)CC2)c2cccc(Cl)c2C)cc1 13670811 PMQXXLPAOSUAEY-UHFFFAOYSA-N 449.960 2.453 0 40 IEAB O=C(COc1ccc2nc3n(c(=O)c2c1)CCCCC3)N1CCN(c2ccccn2)CC1 13725135 MWSXIRBNWVEFOP-UHFFFAOYSA-N 433.512 2.246 0 40 IEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)c1 14249711 SLSIHKWNSIONRO-FQEVSTJZSA-N 428.489 2.308 0 40 IEAB O=C(c1ccncc1)N1CCc2c(nc([C@@H]3CCCN3C(=O)Cc3cccs3)[nH]c2=O)C1 19343197 MMJLZCDVXMVUMA-IBGZPJMESA-N 449.536 2.331 0 40 IEAB COCCn1nnnc1[C@H](c1ccc(OC)cc1OC)N1CCN(c2ccccc2)CC1 19594002 DPVQGZDGTSOMJF-QFIPXVFZSA-N 438.532 2.248 0 40 IEAB COc1cc2ncn(CC(=O)N[C@@H](C)C(=O)N[C@H](C)CCCC(C)C)c(=O)c2cc1OC 20761292 KSPJKLNOIGKMAX-CVEARBPZSA-N 446.548 2.249 0 40 IEAB biogenic CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Cc1ccc(F)cc1F 22964831 ZRXNOZHPWFJZOI-UHFFFAOYSA-N 441.475 2.069 0 40 IEAB CCOc1ccc(N2C(=O)CN(CCc3ccccc3F)[C@H]3CS(=O)(=O)C[C@H]32)cc1 31773785 RRKRTYWEYBRGOQ-LEWJYISDSA-N 432.517 2.281 0 40 IEAB COc1ccc(CN(C)C(=O)[C@@H](NC2=NS(=O)(=O)c3ccccc32)C(C)C)c(OC)c1 32674203 SQONWTZISDJCSS-FQEVSTJZSA-N 445.541 2.426 0 40 IEAB O=C(NC1CCCC1)[C@H]1N(C2CCCC2)C(=O)[C@@H]2[C@@H](C(=O)NC3CCCC3)[C@H]3C=C[C@@]12O3 35313228 AJUGEODEELKVEN-ZJTKBAOVSA-N 441.572 2.197 0 40 IEAB CC[C@@H](C)NS(=O)(=O)c1cnn(-c2ccc(C)c(S(=O)(=O)N[C@H](C)CC)c2)c1 84726623 HUPVCVIOSJLHIU-HUUCEWRRSA-N 428.580 2.334 0 40 IEAB COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c(O)nc2ccccn2c1=O 96115324 GXULZDDTABSNLC-INIZCTEOSA-N 431.448 2.356 0 40 IEAB biogenic C[C@@H](O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 96306388 LAUPAKPCWDGLQD-GOSISDBHSA-N 447.539 2.017 0 40 IEAB CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nc(O)c4c(n3)CN(C(=O)C3CCC3)CC4)C2)CC1 100239027 KNHXWVRDFRAMDA-KURKYZTESA-N 442.560 2.388 0 40 IEAB CCOC(=O)C1(C(=O)OCC)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)CC 218202704 CPVAVWVYPROGSY-UONOGXRCSA-N 433.320 2.462 0 40 IEAB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 222411585 PFMWAFTUDDGJHC-GOSISDBHSA-N 431.558 2.233 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 222861343 NITVMXLZWODWJE-INIZCTEOSA-N 437.496 2.235 0 40 IEAB C[C@@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1 223880594 NPNBJBWYQYESCM-ZIAGYGMSSA-N 442.534 2.261 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)cc1C 257218896 DEUDGGNQVYZQJW-LJQANCHMSA-N 425.514 2.500 0 40 IEAB CN1CCN([C@H]2CC[C@](CNC(=O)[C@H]3CCCOC3)(c3ccccc3)CC[C@@H]2O)CC1 257232604 GLPLWFNQUTZSIN-IVIIFCHOSA-N 429.605 2.018 0 40 IEAB CNC(=O)[C@H]1CN(Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCCC2)cc1 257239344 HOWSHPGNTZNWMQ-HSZRJFAPSA-N 435.572 2.158 0 40 IEAB COc1nccnc1NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 2272920 GIPCLCHXOUJZPF-UHFFFAOYSA-N 449.539 2.474 0 40 IEAB O=C1N[C@@](NS(=O)(=O)c2ccc(Cl)cc2)(C(F)(F)F)C(=O)N1Cc1cccnc1 6303533 OCZCQNVKXVTVFC-HNNXBMFYSA-N 448.810 2.024 0 40 IEAB COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)cc1OC 6328100 WHVPMQGCJFRDEO-UHFFFAOYSA-N 428.551 2.036 0 40 IEAB CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O 9347914 AWQDYKVTPRVKJN-AKTXLMLESA-N 437.471 2.293 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 9640440 JRTVMTSDOTYAKN-KRWDZBQOSA-N 445.541 2.447 0 40 IEAB Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 12856800 SWQGKEAVNMPELO-UHFFFAOYSA-N 435.571 2.090 0 40 IEAB CC(=O)Nc1ccc2c(COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc(=O)oc2c1 13134572 YUVCPVGSOHZNAW-UHFFFAOYSA-N 444.465 2.359 0 40 IEAB Cc1cccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccccc2)c1C 13898803 VRRZABYNHZETHG-UHFFFAOYSA-N 429.542 2.223 0 40 IEAB O=C(OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c(c1)CCC2 16761608 OJXFCHRTKMHUPF-UHFFFAOYSA-N 431.510 2.432 0 40 IEAB CCCn1c(S[C@H](C)C(=O)N2CC(=O)Nc3cc(C(F)(F)F)ccc32)n[nH]c1=O 16787809 IJOWZJBBZBQEGQ-SECBINFHSA-N 429.424 2.466 0 40 IEAB O=C(c1cccc(F)c1)N1CCc2nc(C3CCN(C4CCOCC4)CC3)[nH]c(=O)c2C1 19293589 WQYVGWCZEZSOSA-UHFFFAOYSA-N 440.519 2.466 0 40 IEAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)Cn2cncn2)C1 19449314 RQYZXFVRIFDJDE-DEOSSOPVSA-N 432.528 2.326 0 40 IEAB COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)c4cnccn4)C3)nc(O)c2C1 19570621 FLSNWPOTSBHWSV-QGZVFWFLSA-N 446.511 2.169 0 40 IEAB O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCN(C[C@@H]2CCOC2)CC1 19699461 NYHQWDLXMCHPEN-FQEVSTJZSA-N 426.561 2.074 0 40 IEAB CNc1nc(C2CCN(C(C)=O)CC2)nc2c1CCN(C(=O)CC[C@@H](C)N1CCCC1)C2 19710919 WMZUYTCFPAIRFX-QGZVFWFLSA-N 442.608 2.393 0 40 IEAB CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2nc3ccccc3s2)c1 22269029 ZZNCMKYUYBTKLJ-UHFFFAOYSA-N 435.527 2.308 0 40 IEAB Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 22537319 VTILLDIWXHHRIB-MRXNPFEDSA-N 436.505 2.411 0 40 IEAB Cc1nc(CN2CCN(C(=O)c3cc(S(=O)(=O)NC4CC4)ccc3C)CC2)cs1 23183122 RDXWZTLVICHPDH-UHFFFAOYSA-N 434.587 2.159 0 40 IEAB C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCCN2C(=O)c3ccccc3C2=O)C1=O 23947147 GGANFPXJMQTZAW-DEOSSOPVSA-N 448.479 2.037 0 40 IEAB O=C1CN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c2ccccc2N1 24610183 MSYMDVQIOZUUKD-UHFFFAOYSA-N 431.489 2.353 0 40 IEAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1SC[C@]1(C)NC(=O)NC1=O 32722724 FISPKRWFFNDTAE-NRFANRHFSA-N 427.482 2.378 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(CCc3ccccn3)CC2)cc1OC(F)F 35671676 PZHDJCCJPYBYSV-UHFFFAOYSA-N 427.473 2.241 0 40 IEAB Cc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C)CC1 40050354 LBMVFDANUDVQOQ-UHFFFAOYSA-N 430.498 2.277 0 40 IEAB COC(=O)c1ccc(C)c(S(=O)(=O)NCCN2CCc3cc(OC)c(OC)cc3C2)c1 40149890 NWBKMEJJOYXMKF-UHFFFAOYSA-N 448.541 2.135 0 40 IEAB Cn1cc(C(=O)NCc2cccc(Br)c2)c(S(=O)(=O)N2CCCCC2)n1 49400609 LFUBBELUAKQXST-UHFFFAOYSA-N 441.351 2.287 0 40 IEAB COC(=O)c1ccc(Cl)c(Cc2noc(C(=O)N[C@H](CO)Cc3ccccc3)n2)c1 49545267 GZUSVNSSVYGLMU-INIZCTEOSA-N 429.860 2.434 0 40 IEAB O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(=O)NCc1ccccc1 58176600 QXTVZSSAHROPPA-UHFFFAOYSA-N 430.512 2.167 0 40 IEAB CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)nc(C)n3[C@@H]2CCS(=O)(=O)C2)C1 72301649 RSFVDEBDDGWGPF-ZWKOTPCHSA-N 446.573 2.083 0 40 IEAB CN(C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1Cl 89314335 BOSLWKPKNBZZOO-CQSZACIVSA-N 432.908 2.212 0 40 IEAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CN(C(=O)N(C)C)C[C@]32CCN(C)C2=O)c1 96144300 NECKNCLAUXYUKY-DEOSSOPVSA-N 426.561 2.372 0 40 IEAB CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)Cc1ccccc1)CC2 96144931 XGSALMQIRRTZPH-UHFFFAOYSA-N 432.528 2.206 0 40 IEAB COc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)CC1 96345421 WGMLIESLINJYTM-HNNXBMFYSA-N 437.475 2.412 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]21)Nc1ccccc1 102000336 RQSKWQYIQLRYTJ-HOTGVXAUSA-N 428.246 2.381 0 40 IEAB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccccc3O[C@H](C)C(=O)OC)C2=O)o1 108120746 SWPYQRLVCKFUJG-DYTQJMLRSA-N 428.397 2.099 0 40 IEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(Cc2ccccc2)CC1 224531608 MWWMXPHTPRRPRB-GOSISDBHSA-N 431.558 2.194 0 40 IEAB CCOC(=O)CN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224843486 ZXZIRIFADITYPD-UHFFFAOYSA-N 435.454 2.003 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)NCCSc4ncn[nH]4)ccc32)cc1 225845974 DJMBYCNRZNIFCA-UHFFFAOYSA-N 443.554 2.387 0 40 IEAB O=C1CCC(=O)N1C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(OC(F)(F)F)cc1 238825278 DPFBUUSLFWWMAF-FUNVUKJBSA-N 432.420 2.418 0 40 IEAB CCOc1ccccc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC)S(C)(=O)=O 260571747 CKAZKYFUXCNXGH-QGZVFWFLSA-N 447.557 2.015 0 40 IEAB Cc1cccc(CN2C[C@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccn4)[C@@H]3C2)n1 306136381 PSADTBGMCQALML-WOJBJXKFSA-N 437.525 2.016 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 408600643 BPEZTLNIWKGQLV-UHFFFAOYSA-N 428.894 2.291 0 40 IEAB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(N)=O)C1=O 409354013 WKTLDSHHHRTHJK-LICLKQGHSA-N 441.465 2.234 0 40 IEAB O=C(c1sccc1S(=O)(=O)N1CCOCC1)N1CCO[C@@]2(CCc3ccccc32)C1 511055243 WVIJJORFZZBVAI-NRFANRHFSA-N 448.566 2.083 0 40 IEAB COc1ccc(-c2coc3cc(O[C@H]4O[C](CO)[C@@H](O)C(O)=C4O)ccc3c2=O)cc1 1560408799 MAVKKKWVDJEGHF-KNQAVFIVSA-N 427.385 2.416 0 40 IEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)C1=O 8727275 MZZXACHNFHVECF-OAQYLSRUSA-N 447.488 2.262 0 40 IEAB COCCOC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc(Cl)c1Cl 8747938 IFIPSKHMLSKHCH-CYBMUJFWSA-N 442.251 2.323 0 40 IEAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)NN1C(=O)NC2(CCCCC2)C1=O 9052760 JNJMQJCAOOJQKO-UHFFFAOYSA-N 442.516 2.446 0 40 IEAB COCCNS(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)c(Cl)c1 9191342 AZGUHJRCEMXXHA-UHFFFAOYSA-N 438.933 2.228 0 40 IEAB CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1nccs1 9328037 LPOBXOKZGDVJHP-UHFFFAOYSA-N 446.514 2.144 0 40 IEAB COc1ccc(CCNC(=O)[C@H](C)NC(=O)[C@@H]2CS[C@@H]3c4ccccc4C(=O)N23)cc1 9510974 QVLNUPBJGONAPC-FKHUDQKESA-N 439.537 2.129 0 40 IEAB CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NCc2ccccc2)cc1 9539901 XNKDIQBMZCYIEP-UHFFFAOYSA-N 441.484 2.165 0 40 IEAB NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1 9604038 GJQZGLGMPUPGMS-UHFFFAOYSA-N 438.461 2.361 0 40 IEAB Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)c3ccccc3F)n2)o1 12480563 LMSKWCQHIYINFK-UHFFFAOYSA-N 426.452 2.473 0 40 IEAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)N1CCc2ccccc2C1 12755228 UKWPVEHJQDHLJP-UHFFFAOYSA-N 430.530 2.209 0 40 IEAB O=C(c1cc(N2CCOCC2)ccn1)N1CCN(CCOc2ccc(Cl)cc2)CC1 14083410 IEDXRGGDLYNZIC-UHFFFAOYSA-N 430.936 2.408 0 40 IEAB COc1ccc(-c2noc(COC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)n2)cc1OC 14124453 LPKOBWDGZAYSHR-AEGPPILISA-N 441.440 2.137 0 40 IEAB CCOC(=O)C1=C(COC(=O)c2c(C)cc(=O)oc2C)NC(=O)N[C@@H]1c1ccccc1 14241692 LCMIVTHLRFMESG-LJQANCHMSA-N 426.425 2.285 0 40 IEAB COc1ccc(F)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2cccc(C)c2C)CC1 16350037 PZBXGTZRRUQVJD-UHFFFAOYSA-N 449.548 2.420 0 40 IEAB O=C(c1ccc2c(c1)OCCO2)N1CCC([C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 19375705 OUIUDWUJHHGLSK-FQEVSTJZSA-N 429.498 2.040 0 40 IEAB Cc1nc([C@H]2CCCN(C(=O)CCC(N)=O)C2)nc2c1CCC(=O)N2CCc1ccccc1 19741539 GCNVRMVNFRIPKP-IBGZPJMESA-N 449.555 2.278 0 40 IEAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1C 22176769 FBZKEMWQGRGFEI-MRXNPFEDSA-N 446.525 2.216 0 40 IEAB O=C(c1ccc(Br)o1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134563 QFDBNRGNZFWQKG-UHFFFAOYSA-N 435.257 2.115 0 40 IEAB Cc1cccc(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nc3ccccc32)c1 23547418 ATDNVCCMYKSMGQ-UHFFFAOYSA-N 435.509 2.289 0 40 IEAB CCCCc1ccc(CC(=O)N2CCN(S(=O)(=O)c3sc(=O)[nH]c3C)CC2)cc1 40039849 OFGUNWJDPXPDRK-UHFFFAOYSA-N 437.587 2.163 0 40 IEAB CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H]([C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)c1C 72342589 VIFNLPTZTFMDBJ-MGPUTAFESA-N 430.530 2.416 0 40 IEAB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2CCCN21 104082547 GYKFICCLCYUNRY-AYFLJRIOSA-N 431.448 2.155 0 40 IEAB COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(CCc4cccs4)CC3)C2=O)cc1 105393666 MJTUDUFQGGDEPA-IBGZPJMESA-N 427.526 2.027 0 40 IEAB NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 107176656 RJFJWJWGAQJHFA-TVFCKZIOSA-N 438.281 2.450 0 40 IEAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O 219673209 PYKNWCFAZIMSPR-UHFFFAOYSA-N 446.510 2.381 0 40 IEAB C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 223875800 XBCYTMOOYYSCHA-INIZCTEOSA-N 438.571 2.368 0 40 IEAB Cc1ccc(N(CC(=O)NCc2ccc(CN3CCOCC3)cc2)S(C)(=O)=O)cc1C 224547933 JHZLVJHXXANRKI-UHFFFAOYSA-N 445.585 2.218 0 40 IEAB CCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 225028792 KICOMSOWRNXWKU-UHFFFAOYSA-N 435.527 2.403 0 40 IEAB COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc4c(c3)N(C)S(=O)(=O)N4C)n[nH]2)c1 390826336 IIZTWQRMOBPLQF-UHFFFAOYSA-N 443.485 2.477 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)cc1 390830863 NXZNCBGXXSZMDC-LJQANCHMSA-N 440.518 2.335 0 40 IEAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(OC)c3)CC2=O)cc1 408649994 ACYUBDOFXMZOTP-MRXNPFEDSA-N 440.452 2.407 0 40 IEAB Cn1c(=O)n(C)c2cc(NC(=O)Nc3ccc(F)c(N4CCCS4(=O)=O)c3)ccc21 503234099 QBVWDMCSMOXZEQ-UHFFFAOYSA-N 433.465 2.200 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N1CCc3ccccc31)c(=O)n2Cc1ccccc1 3427234 AMZSZBLNKGFIEY-UHFFFAOYSA-N 429.480 2.017 0 40 IEAB CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2nnnc2-c2ccccc2)cc1 4259424 PYRPSURYXYEHEV-MTQWCTHYSA-N 435.440 2.499 0 40 IEAB biogenic,in-vitro COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)NCc3ccccc3OC)C2=O)cc1 7411570 QTHRXYTXRMHWEI-QHCPKHFHSA-N 425.485 2.263 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CSc2nnc(C)n2C2CC2)cc1 8748079 KXBAAPQDHBGHCW-UHFFFAOYSA-N 437.591 2.360 0 40 IEAB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)c1ccc(Br)cc1 8927378 VYDYNYVODSDUMG-OAHLLOKOSA-N 445.269 2.369 0 40 IEAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)CSCC(=O)Nc2cc(C)on2)cc1 9125357 NSFIWXIOABYSOI-GFCCVEGCSA-N 434.474 2.184 0 40 IEAB CCOC(=O)N1CCN(C(=O)CSc2nnc3ccc(-c4ccccc4)nn23)CC1 9829042 YOSBQMHGDZOFNB-UHFFFAOYSA-N 426.502 2.184 0 40 IEAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1OC 11693372 WMKOQVIJVXFUIS-UHFFFAOYSA-N 436.468 2.445 0 40 IEAB CC[C@@H](C)c1ccc([C@H](NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(C)C)cc1 12627288 AEPSCDNQTDZZKQ-DNVCBOLYSA-N 425.533 2.461 0 40 IEAB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 12758740 QGGQMOVSSYVHCJ-UHFFFAOYSA-N 441.531 2.143 0 40 IEAB CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC(C)(C)N1CCOCC1 12974395 LSXXJJUKXBAZMV-KRWDZBQOSA-N 427.998 2.419 0 40 IEAB Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 13030143 LGNIUVYLRYFMGG-UHFFFAOYSA-N 431.514 2.204 0 40 IEAB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3nn(-c4ccccc4)cc3OC)nc2c1 13112358 GFWRJCAQQPGJNZ-UHFFFAOYSA-N 434.408 2.261 0 40 IEAB NC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)N1CCN(Cc2cccc3ccccc23)CC1 13163623 JAPFJUXHWJYNGV-VWLOTQADSA-N 442.563 2.396 0 40 IEAB COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)c1C 13568860 HKXZWWKHFUKSDW-UHFFFAOYSA-N 448.497 2.063 0 40 IEAB O=c1ccc(-c2cccs2)nn1CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 13799923 NQJMCVLKNGBFAT-UHFFFAOYSA-N 433.511 2.112 0 40 IEAB CCCC[C@H](CC)C(=O)N1CCNC(=O)[C@@H]1CC(=O)N1CCN(c2ccccc2)CC1 14164432 WSKPDYWWGDGOSO-FPOVZHCZSA-N 428.577 2.269 0 40 IEAB O=C(CSCc1nc2ccccc2[nH]1)N1CCN(S(=O)(=O)c2cccs2)CC1 16045692 SSMNKJAITXKMBG-UHFFFAOYSA-N 436.584 2.391 0 40 IEAB O=C(CCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O)N[C@H](Cc1ccccc1)C(=O)O 16478724 IGULETHZKTWAKE-WOJBJXKFSA-N 440.496 2.171 0 40 IEAB COc1ccc(-c2ccc(C[C@@H]3CN(C(=O)[C@H](C)N4CCCC4=O)CCNC3=O)cc2)cc1 19079202 QNWXGMVILLVORT-PGRDOPGGSA-N 449.551 2.490 0 40 IEAB COc1ccc(C(=O)N2CCC[C@H](N3C(=O)NC4(CCN(C(C)C)CC4)C3=O)C2)cc1 19699835 OEVHMCBWAHGUPR-SFHVURJKSA-N 428.533 2.095 0 40 IEAB CC[C@H](C)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 23482842 VELULQHFLLUZCG-IHRRRGAJSA-N 446.953 2.209 0 40 IEAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2nc(CNC(=O)c3ccccc3)no2)C1=O 29394544 ZKIHPZGOCHHVPM-OAQYLSRUSA-N 441.394 2.245 0 40 IEAB O=C(Nc1ncccn1)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 30773938 ABLXLXMORPVVCT-UHFFFAOYSA-N 430.408 2.415 0 40 IEAB CCCCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2c1c(=O)n(C)c(=O)n2C 35312960 DGZODETWZWFFJA-UHFFFAOYSA-N 444.561 2.031 0 40 IEAB O=C(CCS(=O)(=O)c1ccccc1)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1 38490399 LVEMHTBUPNMWDB-MSOLQXFVSA-N 432.567 2.386 0 40 IEAB COc1cc2nc(CN3CCCc4c(NS(C)(=O)=O)cccc43)[nH]c(=O)c2cc1OC 48247898 OBDCUTMLAVPTIA-UHFFFAOYSA-N 444.513 2.265 0 40 IEAB COC(=O)C1=C(CN2CCC(N3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 57414566 JEJQWIVVHPSIPS-JOCHJYFZSA-N 442.560 2.427 0 40 IEAB Cc1ccc2c(c1)N(C(=O)Cn1cc(-c3nc(-c4cnccn4)no3)ccc1=O)CCO2 77199973 JYROHTWRIRDPEV-UHFFFAOYSA-N 430.424 2.089 0 40 IEAB COc1ccc(S(=O)(=O)N2CC(NC(=O)CCc3cnn(-c4ccccc4)c3)C2)cc1 95444642 PRVWEVYCPZEXAP-UHFFFAOYSA-N 440.525 2.003 0 40 IEAB CC(C)(C)CC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ccccn3)C[C@@H]2C1 96251501 UBIAJHDGVRGWCN-CYFREDJKSA-N 428.577 2.422 0 40 IEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)cc2n1 100138952 KDHRQKGQHJOMBA-SFHVURJKSA-N 441.513 2.043 0 40 IEAB O=C(O)[C@@H]1[C@H]2O[C@@H](C(Br)=C2Br)[C@@H]1C(=O)Nc1ccccc1O 100352114 SOBYUWXFDOGLOT-IWXIMVSXSA-N 433.052 2.430 0 40 IEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 101550633 AIWUHOMYUGXUCX-FYQPLNBISA-N 440.477 2.031 0 40 IEAB COc1cccc(N([C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1 220164911 ARTNTHBJYFFCFB-SFHVURJKSA-N 431.558 2.194 0 40 IEAB COC(=O)[C@@H]1CN(C(=O)c2cnc3sc4c(n3c2=O)CCCC4)c2ccccc2O1 223041234 KQCOJVDACMXHTH-INIZCTEOSA-N 425.466 2.216 0 40 IEAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)NCCCN4CCOCC4)cn1c23 223108615 RUHSHDOJTYFKFZ-ZDUSSCGKSA-N 434.334 2.333 0 40 IEAB COC(=O)c1cc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)ccc1Cl 223862771 VKRUVAIYLNCKNA-UHFFFAOYSA-N 438.933 2.437 0 40 IEAB COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)Cc1ccccc1 224451353 UIHLLIWHBWMEFM-UHFFFAOYSA-N 432.542 2.467 0 40 IEAB CCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N2CCC(c4nc(C)c(C(C)=O)s4)CC2)[C@H]3C1=O 249684093 DJQWXXVMMUMIOI-TXXWUTRGSA-N 429.542 2.162 0 40 IEAB O=S1(=O)CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC[C@H]1c1ccccc1F 390830674 MPJYFAHYPIZTNK-IBGZPJMESA-N 441.502 2.147 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408666142 SJXBBWKRUOTRSW-BTDZUBADSA-N 449.301 2.350 0 40 IEAB C[C@]1(c2cccc(-c3noc([C@@H]4CCCN(C(=O)N5CCCC5)C4)n3)c2)NC(=O)NC1=O 563791364 UHKRMQBELBBMBX-IVZQSRNASA-N 438.488 2.186 0 40 IEAB CC(C)n1nc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2C)c2ccccc2c1=O 577902556 NUBLAGVMANLNSR-KBPBESRZSA-N 432.550 2.031 0 40 IEAB COCc1nnc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)s1 604418906 UADMVHYBIJWBJG-GOSISDBHSA-N 435.465 2.438 0 40 IEAB O=C(NC[C@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1630966928 WPADQOKTLIOOHJ-QOJCHSLYSA-N 434.945 2.384 0 40 IEAB CS(=O)(=O)c1ccccc1C(=O)N1CC(n2nc(-c3cccc(F)c3)ccc2=O)C1 1775974680 ZIARSNXNEQCOMG-UHFFFAOYSA-N 427.457 2.150 0 40 IEAB CCOc1ccc2[nH]c(=O)c(CN(CCO)S(=O)(=O)c3cccc(C(C)=O)c3)cc2c1 918598 IADDQNLCKMBYBZ-UHFFFAOYSA-N 444.509 2.313 0 40 IEAB COc1cc(OC)cc(-n2nnnc2SCC(=O)Nc2ccc(NC(C)=O)cc2)c1 932292 SVFBLXIJWKDOBR-UHFFFAOYSA-N 428.474 2.369 0 40 IEAB CN(C)Cc1cn([C@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(F)(F)F)c4)CO[C@@H]32)nn1 4260843 IHJHWTIHVREOCX-YLFCFFPRSA-N 441.410 2.315 0 40 IEAB biogenic,in-vitro O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CCCC1)OCO3 6446632 RVJZIWZTCLCUNX-OAQYLSRUSA-N 430.468 2.477 0 40 IEAB COCCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 6904555 LBCKCSRLLPKICY-INIZCTEOSA-N 437.562 2.121 0 40 IEAB COc1ccccc1C(=O)NCc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C 9263821 GZNAYUZGSIXOKN-UHFFFAOYSA-N 436.497 2.283 0 40 IEAB Cc1nc2ccccc2n1CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 9378110 GREZEMOIRSDASU-SFHVURJKSA-N 442.541 2.232 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)Cn2c(=O)cnc3ccccc32)cc1 9875565 UTLVFSOTWAAROC-MRXNPFEDSA-N 442.541 2.304 0 40 IEAB COc1ccc(NC(=O)COc2coc(CSc3nncn3C)cc2=O)cc1OC 10220367 HNYYCNLNZQHPBL-UHFFFAOYSA-N 432.458 2.095 0 40 IEAB CC(C)Cc1nc(SCC(=O)OCc2ccccc2)c2c(=O)n(C)c(=O)n(C)c2n1 12140394 SMERSHZQPNLSEA-UHFFFAOYSA-N 428.514 2.061 0 40 IEAB COCCCN(C(=O)c1cc(F)c(F)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 12788927 LDPVIPYXXAKXAY-UHFFFAOYSA-N 444.866 2.390 0 40 IEAB Cc1nc2c3ccccc3nc(S[C@@H](C)C(=O)Nc3cccc(S(N)(=O)=O)c3)n2n1 13230438 HUSQGYGNWOUKHE-NSHDSACASA-N 442.526 2.353 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 13688600 SWSMYISFQGTBKX-UHFFFAOYSA-N 428.514 2.052 0 40 IEAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 14095635 YNUVETZJQKHIHG-HNNXBMFYSA-N 431.514 2.486 0 40 IEAB C[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCN(c3ccccn3)CC2)C1=O 14187472 WTGRORZRYUGJTH-HXUWFJFHSA-N 444.333 2.391 0 40 IEAB COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)c3cnn(C)c3)CC2)nc1C 19766548 BEANSNCSMWZBCS-UHFFFAOYSA-N 448.527 2.477 0 40 IEAB O=C(COC(=O)CCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(Br)c1 23653407 PCIOVVMPFXOHHU-UHFFFAOYSA-N 438.278 2.186 0 40 IEAB CC(C)CN(CC(C)C)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 25387267 XYSOZVMKCILYQA-QGZVFWFLSA-N 432.517 2.495 0 40 IEAB C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCc1ccccc1 25726855 HCZZRIIHCMVBLC-HNNXBMFYSA-N 438.933 2.299 0 40 IEAB O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC[C@H]1c1nnc2ccccn12 31505486 FLXCMPDZKYNUOQ-IBGZPJMESA-N 430.468 2.342 0 40 IEAB CSc1ncccc1C(=O)N1CCC(CNC(=O)C(=O)NCc2ccc(F)cc2)CC1 43942733 IFWZFPMZLCIPHE-UHFFFAOYSA-N 444.532 2.227 0 40 IEAB C[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)n1nnc2ccccc2c1=O 44450568 SQFOBIWHEKFEQZ-CYBMUJFWSA-N 432.406 2.115 0 40 IEAB CCOc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)cc1F 56997704 WWCFZAGALQSFAJ-UHFFFAOYSA-N 425.501 2.464 0 40 IEAB COc1cccc(CCN2CC(=O)N(c3ccc(C)c(C)c3)[C@@H]3CS(=O)(=O)C[C@@H]32)c1 57747682 FHLCWPFETMSTKL-FCHUYYIVSA-N 428.554 2.369 0 40 IEAB CC(C)CC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Cl)cc1 59317121 JQJKYQNTEJZIDP-INIZCTEOSA-N 431.924 2.381 0 40 IEAB CN1CCN(c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)CC1 60912148 OZPGXPKSDLLWGZ-UHFFFAOYSA-N 436.965 2.497 0 40 IEAB O=C(Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)Nc1ccc(F)c(F)c1 65237475 AGCFMANYWCBZEU-UHFFFAOYSA-N 425.457 2.330 0 40 IEAB Cc1ccc(CCNC(=O)[C@@H](C)N2CC[C@@]3(CCC2=O)NC(=O)c2cccnc2N3)cc1 72326388 OLYDEYVINHMMBD-MZNJEOGPSA-N 435.528 2.002 0 40 IEAB O=C(Cc1ccccn1)N1CCO[C@@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1 72352705 UWIAJHLVTCCJRD-HSZRJFAPSA-N 446.507 2.245 0 40 IEAB CC[C@@](C)(CNC(=O)CCNC(=O)OC(C)(C)C)NC(=O)CCNC(=O)OC(C)(C)C 79056120 USAXSWGWWGUEOT-NRFANRHFSA-N 444.573 2.217 0 40 IEAB COc1cn(-c2ccccc2)nc1C(=O)NS(=O)(=O)CCC(=O)OCc1ccccc1 89484136 UDQAECMPGOCWRS-UHFFFAOYSA-N 443.481 2.074 0 40 IEAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O 101112433 QEZBEOOFSRNPCR-KVSKMBFKSA-N 449.548 2.420 0 40 IEAB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1[C@@H]3Sc2[nH]c(=O)sc2C12CCCCC2 101261935 ULJQFMBPPQGCOO-AXVRASOTSA-N 434.539 2.064 0 40 IEAB O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4[C@H]3Sc3[nH]c(=O)sc3C43CCCCC3)[C@H]2C1=O 101262038 FUPMLKHYFHMFNU-ORIIPUBOSA-N 448.566 2.454 0 40 IEAB Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)NC3CCN(C)CC3)Oc3cc(C)ccc32)cc1 219403524 BWRCGYQBGQKWNF-JOCHJYFZSA-N 443.569 2.470 0 40 IEAB COc1ccc(CCNS(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1OC 224726906 OIASIPHETCIBHQ-UHFFFAOYSA-N 448.526 2.329 0 40 IEAB Cc1nc2sc3c(c2c2nn(CC(=O)N4C[C@H](C)O[C@@H](C)C4)c(=O)n12)CC[C@H](C)C3 230034661 SSJXMSNWGJMNFN-AVGNSLFASA-N 429.546 2.175 0 40 IEAB COC(=O)c1ccc(OC)c(S(=O)(=O)NC[C@](O)(c2ccsc2)c2ccco2)c1 239578951 DCDREKPFAJTTHM-IBGZPJMESA-N 437.495 2.351 0 40 IEAB CC(=O)N[C@H]1CC[C@](CNC(=O)c2ccc(-n3cccn3)nc2)(c2ccccc2)CC[C@@H]1O 257206699 BEPJOPKSRAWHRU-HWBMXIPRSA-N 447.539 2.375 0 40 IEAB Cc1ccc(C(=O)N2CCN(C)C[C@@](O)(Cn3cccn3)C2)cc1NCc1ccccn1 257246612 IUWLNWYHKVZNCC-DEOSSOPVSA-N 434.544 2.018 0 40 IEAB CNc1nc([C@H]2CCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)nc2c1CCN(C(C)=O)C2 257290539 QDJUPHGBIBUQOV-HNNXBMFYSA-N 447.536 2.049 0 40 IEAB O=S1(=O)c2cccnc2O[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2N1Cc1ccccn1 306123576 AQRWHWFOWGMHBA-PMACEKPBSA-N 440.500 2.452 0 40 IEAB C[C@@H]1CCN(C[C@@H]2CC3(CCN(C(=O)Cc4ccc(N(C)C)cc4)CC3)CO2)C[C@H]1O 585103002 AXNUXDVZSSKJNJ-WTIAFYNJSA-N 429.605 2.396 0 40 IEAB CCc1ccc(OC[C@H](O)Cn2c(S[C@@H](C)CC)nc3c2c(=O)[nH]c(=O)n3C)cc1 678574 DFIFKJGHEUERIK-DZGCQCFKSA-N 432.546 2.316 0 40 IEAB O=C(CSc1nnc2n(CC(=O)N3CCCC3)c3ccccc3n12)N1CCCCC1 1325683 ATUHZORXAIUDEQ-UHFFFAOYSA-N 426.546 2.411 0 40 IEAB COc1nc(NCc2ccccc2)nc(N(C#N)[C@@H](NC=O)C(Cl)(Cl)Cl)n1 2301029 NWBYBALVECOBFD-LLVKDONJSA-N 430.683 2.222 0 40 IEAB Cn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1=O 2653895 RFYUHTRFFODWKX-UHFFFAOYSA-N 426.304 2.065 0 40 IEAB Cn1ncc2c(=O)n(CC(=O)Nc3ccc(Br)cc3Br)cnc21 8726160 IECFJRVCYVMRFA-UHFFFAOYSA-N 441.083 2.294 0 40 IEAB Cc1c(CC(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)c(=O)oc2cc(O)ccc12 8788954 GRTGILMUNLVPMB-IBGZPJMESA-N 436.420 2.349 0 40 IEAB biogenic COC[C@@H](C)n1c(C)cc(C(=O)CN2C(=O)C(=O)N(c3ccc(OC)cc3)C2=O)c1C 8988001 JFXJZLLYAIDJBV-CQSZACIVSA-N 427.457 2.499 0 40 IEAB O=C(CCc1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 9216904 JWBVCMGBZNBBLO-HXUWFJFHSA-N 448.479 2.180 0 40 IEAB O=c1[nH]c(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2)nc2ccccc12 9410343 CPXYKDPSLRJMNE-IAGOWNOFSA-N 426.523 2.198 0 40 IEAB COc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccc(F)cc3)c(=O)[nH]2)cc1 9518057 TZSBWTHOYAJGNK-UHFFFAOYSA-N 443.460 2.483 0 40 IEAB CCn1nc(CC(=O)N2CCC[C@@H]2c2cc3nc(C)cc(O)n3n2)c2ccccc2c1=O 12154055 HJNDKPOWJUJLRP-LJQANCHMSA-N 432.484 2.379 0 40 IEAB CCCOc1cc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nc(C)n1 12224788 RPFFFTWCHMQMJO-UHFFFAOYSA-N 433.534 2.043 0 40 IEAB COC(=O)c1ccc2c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c(=S)[nH]c2c1 12415871 ANADHYJBNXHSTF-UHFFFAOYSA-N 441.465 2.281 0 40 IEAB O=C1CC(=O)Nc2cc(S(=O)(=O)NNc3ncc(C(F)(F)F)cc3Cl)ccc2N1 12876063 VBCQHAAZNJGNLO-UHFFFAOYSA-N 449.798 2.340 0 40 IEAB CCc1cccc(N2C[C@H](C(=O)N3CCN(CC(=O)NCc4ccccc4)CC3)CC2=O)c1 12922845 ZNINACZHKPSWEC-JOCHJYFZSA-N 448.567 2.063 0 40 IEAB CCOc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1OC 13040338 XNHDCZDFJLJBNR-UHFFFAOYSA-N 434.562 2.061 0 40 IEAB COc1cccc(CNC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)c1 13533089 GCQPJJIHZLJGFJ-UHFFFAOYSA-N 425.466 2.191 0 40 IEAB CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)NC1CCCC1 13554956 DMEAUVULQLZZBU-LPHOPBHVSA-N 443.544 2.400 0 40 IEAB O=C(CSc1nnnn1Cc1cccs1)NCC1(N2CCOCC2)CCCCC1 14129115 UATWOENEKABYCD-UHFFFAOYSA-N 436.607 2.026 0 40 IEAB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)COc2ccc3c(c2)CCC3)s1 17231199 HKCNGTZUYKXTED-UHFFFAOYSA-N 437.539 2.133 0 40 IEAB Cn1c(=O)c2ccccc2n2c(CN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)nnc12 21991442 WPVXDTTYXZILIC-HSZRJFAPSA-N 430.468 2.025 0 40 IEAB COc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)N2CCOCC2)cc1 23055374 MMAMFZQOLSYZOU-HXUWFJFHSA-N 438.484 2.116 0 40 IEAB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1=O 24509350 FYGRQPQNSOMMOD-OAQYLSRUSA-N 430.411 2.179 0 40 IEAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1C 35312004 OTDDYEQDZTZXDE-QGZVFWFLSA-N 440.529 2.319 0 40 IEAB COc1ccc(-c2noc(Cn3cnc4c(nnn4Cc4ccccc4)c3=O)n2)cc1OC 49001677 LYPXQCFAYHVBBX-UHFFFAOYSA-N 445.439 2.152 0 40 IEAB CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1 65606553 TYEWYAHPTHGVEM-INIZCTEOSA-N 427.592 2.145 0 40 IEAB O=C(Nc1cccc(N2CCCCS2(=O)=O)c1)c1ccc(Cl)cc1-n1cnnn1 71287541 MUVTXHAGPJYUQG-UHFFFAOYSA-N 432.893 2.498 0 40 IEAB Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCc4ccccc4C3)c(Br)cc21 78876355 UZZUADSGLPQRDL-UHFFFAOYSA-N 436.331 2.387 0 40 IEAB CCN1CCN(C(=O)Cc2ccc(NC(=O)CCNC(=O)Cc3ccccc3)cc2)CC1 79025390 FWETVEWXDFLDMD-UHFFFAOYSA-N 436.556 2.081 0 40 IEAB CCN(CCC(=O)O)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 95969830 QPRBJZAILTXYMN-UHFFFAOYSA-N 432.498 2.305 0 40 IEAB CC(C)(C)OC(=O)NC1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1 96232641 IMMOOCJHUWDHGJ-KRWDZBQOSA-N 430.505 2.013 0 40 IEAB COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c1 100131252 WZZNEBODPPEPBP-FQEVSTJZSA-N 449.463 2.205 0 40 IEAB CCN(Cc1ccc(C(=O)NCCN2CCCC2=O)cc1)S(=O)(=O)c1ccccc1 224452058 DPHBRTVYBITHRC-UHFFFAOYSA-N 429.542 2.250 0 40 IEAB CCn1c(=O)sc2cc(NC(=O)CN(c3ccc(OC)cc3)S(C)(=O)=O)ccc21 225083446 OMMWNXHUJNJNOA-UHFFFAOYSA-N 435.527 2.496 0 40 IEAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC(N)=O)cc3)C2)c1 225920512 TVFLXBBQGSHONK-GOSISDBHSA-N 429.542 2.371 0 40 IEAB Cc1noc(C)c1C(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCN(C)CC2)C1 257335246 YJHWFLYRYQWUIN-FPOVZHCZSA-N 440.544 2.365 0 40 IEAB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NCCCn1ccnc1 408594890 RBDXEOWXEAKTMG-UHFFFAOYSA-N 442.541 2.255 0 40 IEAB C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NCCN2CCOCC2)cc1)c1ccccc1 408598341 ZFOUVDCHMAMCAD-LJQANCHMSA-N 445.585 2.107 0 40 IEAB Cc1ccc(N(CC(=O)N2CCC(C(N)=O)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 409024180 AZLGCUBISNMGKK-UHFFFAOYSA-N 429.542 2.223 0 40 IEAB CC(C)c1cccc(O[C@H](C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c2ccccc2)c1 500617132 BHYLIVURGAXKBP-QHCPKHFHSA-N 448.527 2.288 0 40 IEAB O=S1(=O)CCCN1[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)C1 562417678 CQTYNVPYUCKIAT-SFHVURJKSA-N 432.567 2.446 0 40 IEAB O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 3368162 BRUIMAKVBRJRCI-UHFFFAOYSA-N 445.526 2.127 0 40 IEAB CN(C(=O)COc1ccc(Br)cc1Br)[C@H]1CCS(=O)(=O)C1 3515712 RBTCEKSAYXQXFK-JTQLQIEISA-N 441.141 2.236 0 40 IEAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 6134701 CFORNIVLBZDHFD-UHFFFAOYSA-N 442.497 2.003 0 40 IEAB Cc1c(C)n2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc2n1CCCn1ccnc1 9060241 XFXVJPPQBJTSKM-UHFFFAOYSA-N 445.527 2.296 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(=O)NC)c3)CC2)cc1 9222579 BIRULRIRZCMWQI-UHFFFAOYSA-N 445.541 2.484 0 40 IEAB Cc1noc(C)c1S(=O)(=O)NCCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9337484 SNOYFQWAXHNOET-INIZCTEOSA-N 435.502 2.095 0 40 IEAB O=C(COC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)NC3CC3)s2)s1)NC1CC1 9545993 IRNPOTLWAPGHCW-UHFFFAOYSA-N 448.522 2.347 0 40 IEAB COc1cccc(/C=C/C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 9666593 YZEUEZWSIUVUPV-RMKNXTFCSA-N 432.498 2.377 0 40 IEAB Cc1ccn2c(=O)cc(COC(=O)c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)nc2c1 10777445 GRSGLFAKDUIQQJ-CQSZACIVSA-N 427.482 2.071 0 40 IEAB CCC(=O)c1ccc(OCC(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1 11407450 QWNMCRGTDGEZIH-UHFFFAOYSA-N 430.432 2.438 0 40 IEAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(-c2ccccc2)nn1[C@@H]1CCS(=O)(=O)C1 11795934 BNQAYXQMYCWMSW-OAHLLOKOSA-N 435.531 2.050 0 40 IEAB CCOc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1 12536856 KIGWORKYMGEIAM-NRFANRHFSA-N 425.485 2.150 0 40 IEAB COc1ccccc1NC(=O)Cc1noc(COC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1 12965279 DZQFAIKNQIZZFI-KRWDZBQOSA-N 437.408 2.084 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c(C)c1 13041043 KCPSSJKZSIHTAC-UHFFFAOYSA-N 432.571 2.188 0 40 IEAB O=C(Cc1ccc2c(c1)OCCO2)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 14158466 YWXDXPIPDARXCD-UHFFFAOYSA-N 430.526 2.491 0 40 IEAB COCCNC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 16992751 JYEMRHDHZUTXMW-MRXNPFEDSA-N 446.504 2.282 0 40 IEAB O=C1N[C@]2(CCC(=O)N(CC(=O)N3CCC[C@@H](c4ccccc4)C3)CC2)Nc2ncccc21 19369933 YOKMECAYEQFNCB-CLOONOSVSA-N 447.539 2.352 0 40 IEAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2C(=O)CNC(C)=O)nc1C 19753480 WDMPWVWFVNDEHZ-SFHVURJKSA-N 425.489 2.236 0 40 IEAB CNc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(C(=O)N4CCOCC4)c(C)n3)C2)s1 19764015 DDHZSSQJNKGBKX-HNNXBMFYSA-N 444.561 2.084 0 40 IEAB CC(=O)N(C)c1ccc(OC[C@@H](O)CN2CCN(CCOc3ccc(C)cc3)CC2)cc1 27228829 XWDLDLHMMVBWCL-QHCPKHFHSA-N 441.572 2.414 0 40 IEAB CCOc1ccc(CN(C(=O)[C@@H]2COc3ccccc3O2)[C@H]2CCS(=O)(=O)C2)cc1 32594228 FHXHTJPWRPLGBQ-UWJYYQICSA-N 431.510 2.441 0 40 IEAB O=C(Cn1c(=O)ncc2c1cnn2[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl 32642262 GYQVPPDHDLVENW-LLVKDONJSA-N 441.296 2.142 0 40 IEAB CCOC(=O)c1oc2ccccc2c1COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 32667659 SDDCZGAIBMOTGS-UHFFFAOYSA-N 430.438 2.150 0 40 IEAB CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)c1 32830248 QHQDPKYBKLIHBR-UHFFFAOYSA-N 442.280 2.266 0 40 IEAB COc1cccc(C[C@H](C(=O)NCCCN2CCc3ccccc3C2)n2nnnc2C)c1 48326585 YLGGGSPYLDMDLT-HSZRJFAPSA-N 434.544 2.339 0 40 IEAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 48375007 MAZZTAQCXDNMGU-SUMWQHHRSA-N 432.468 2.192 0 40 IEAB COC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)CC2)NC(=O)N[C@H]1c1cccs1 57416027 LPZJOVLTKZCPPJ-INIZCTEOSA-N 436.534 2.082 0 40 IEAB COc1ccccc1N1CCN(C[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C(=O)O)CC1 71281206 GMTPITOFCXFARN-MRXNPFEDSA-N 441.484 2.276 0 40 IEAB Cc1nn(C)cc1[C@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)N(C)S(=O)(=O)N1 72335107 MEPCYIUPHLADTI-UKRRQHHQSA-N 432.333 2.254 0 40 IEAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1cc2nc3c(c(O)n2n1)CN(C1CCOCC1)CC3 100234234 CIFNHTFCARQDLZ-PTSWNOGYSA-N 425.533 2.292 0 40 IEAB CC(C)Oc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 224468013 VZMSMIDOAIXJKE-UHFFFAOYSA-N 448.541 2.304 0 40 IEAB O=C(NCC1CCN(C2CCSCC2)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 245093499 RQYJUBGNXHIQEL-UHFFFAOYSA-N 444.601 2.476 0 40 IEAB CN(CC(=O)N1CCC[C@@H](c2nn(C(C)(C)C)c3ncccc23)C1)[C@H]1CCS(=O)(=O)C1 248044779 WCIXNSRYIZXLSN-SJORKVTESA-N 447.605 2.011 0 40 IEAB Cc1cncc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CCN(C)CC3)C2)c1 257247796 JANVBUQXDWKZAG-GMAHTHKFSA-N 436.556 2.464 0 40 IEAB CC(C)N1CCN(CC2CC2)C[C@H]1c1nnc2ccc(C(=O)NC[C@H]3CCCO3)cn12 306134622 NTSGFGPJYWKMJG-UXHICEINSA-N 426.565 2.115 0 40 IEAB O=S1(=O)C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H](O)C1 575425196 QLLZXWCUFDDSRP-CVEARBPZSA-N 436.338 2.347 0 40 IEAB Cc1snnc1C(=O)N1CCC2(CCc3nnc(C(=O)NCCC(C)C)n3C2)CC1 585106529 QITHGZMKLVWCDC-UHFFFAOYSA-N 431.566 2.083 0 40 IEAB O=C(NCC1CC1)c1nnc2n1CC[C@]1(CC2)CCN(C(=O)Cc2noc3ccccc23)C1 2055785128 JXXIHOMLVVHMIR-DEOSSOPVSA-N 448.527 2.357 0 40 IEAB CCn1nc(C(=O)OCC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2c1=O 8806913 REDDPZGCVFNXLV-UHFFFAOYSA-N 438.459 2.061 0 40 IEAB COc1cc(NC(=S)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(OC)c1OC 8974428 OYSGHIGUDSURTL-UHFFFAOYSA-N 436.578 2.215 0 40 IEAB CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)NC1CC1 9341484 SKGXHZJSNNRIGR-CLCXKQKWSA-N 439.553 2.036 0 40 IEAB COc1ccc(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 9408064 LLPXFWJSTFVZQE-UHFFFAOYSA-N 431.470 2.026 0 40 IEAB CC(C)OCCCNC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C 9488418 BWSWKNIOBNTIKO-OXTHUFEASA-N 433.574 2.471 0 40 IEAB CCOc1ccccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 9569967 TWKYCJQJBHGBNX-UHFFFAOYSA-N 435.521 2.106 0 40 IEAB COc1ccc(NC(=O)CN2N=N[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]32)cc1OC 9674541 JWADTHIWEUFOBB-MSOLQXFVSA-N 443.847 2.289 0 40 IEAB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 10515371 ODGAZQLISDWCHN-UHFFFAOYSA-N 439.559 2.220 0 40 IEAB O=C(NCc1ccc(N2CCOCC2)nc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 10719606 VFQLXPGURGESQU-UHFFFAOYSA-N 444.482 2.365 0 40 IEAB Cc1ccc(OCC(=O)NCCn2ncc3c(=O)n(Cc4ccccc4C)cnc32)cc1 12072157 ZJTUHQZXQWRZLP-UHFFFAOYSA-N 431.496 2.453 0 40 IEAB Cc1nc(C)n([C@@H](C)CC(=O)N2CCC3(CC2)C[C@]2(CO3)NC(=O)c3ccccc3N2)n1 12085517 MQUGHINCRBZECW-NPMXOYFQSA-N 438.532 2.179 0 40 IEAB O=C(NCc1cc(-c2ccccc2)on1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 12235458 WGCMKXBQCDJTSV-UHFFFAOYSA-N 427.482 2.293 0 40 IEAB Cc1cc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccccc3)n2)no1 12485025 FLJGDPCLMQMICB-UHFFFAOYSA-N 439.457 2.076 0 40 IEAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 12550850 ZTAJVSUTXFRBOA-NHCUHLMSSA-N 439.537 2.055 0 40 IEAB CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCCc1ccc(F)cc1)n2C 12602286 RUAQCNDALPLMNF-UHFFFAOYSA-N 432.521 2.254 0 40 IEAB CCN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cc(F)ccc1OC 13581254 FZFDGASJXCLCRP-UHFFFAOYSA-N 435.521 2.194 0 40 IEAB O=C(NCCCN1CCCC1=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 14083308 LMAAGADLLUHMAM-UHFFFAOYSA-N 441.553 2.176 0 40 IEAB C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)Cc2ccc(N3CCCC3=O)cc2)C1=O 14084235 MKAUQWOOSNJCPX-XMMPIXPASA-N 434.496 2.330 0 40 IEAB CCc1ccc(-c2n[nH]c(SCC(=O)N3CC(=O)NC(=O)C34CCCCC4)n2)cc1 14183403 NZLDTHDIHCXZEF-UHFFFAOYSA-N 427.530 2.314 0 40 IEAB Cn1cnc2c1c(=O)n(CC(=O)Nc1ccccc1-c1nc3ccccc3s1)c(=O)n2C 14604052 INGBPCDWYYKJOL-UHFFFAOYSA-N 446.492 2.349 0 40 IEAB CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CCN(S(=O)(=O)c1ccc(C)c(F)c1)C2 19707293 BGBGTQMQWADFKE-LJQANCHMSA-N 447.536 2.396 0 40 IEAB CN1CCN(C(=O)c2ccc(C3CCN(S(C)(=O)=O)CC3)nc2)[C@H](c2ccccc2)C1 19708127 YZWFOYJIYZFAAA-QFIPXVFZSA-N 442.585 2.350 0 40 IEAB C[C@@H](CN1CCOCC1)C(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)n[nH]c3n2)CC1 19745093 GNORTELEMCHWNH-LBPRGKRZSA-N 440.470 2.233 0 40 IEAB Nc1nc(C2CCN(C(=O)CN3CCOCC3)CC2)ccc1C(=O)Nc1ccc(F)cc1 19765940 RXNBNGOFGNSMPR-UHFFFAOYSA-N 441.507 2.093 0 40 IEAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 20024990 VSFIREQDCVABOP-OAHLLOKOSA-N 434.514 2.216 0 40 IEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCN(CCc4ccncc4)CC3)cc2O1 20592210 SAQNXKBRKVIYFC-UHFFFAOYSA-N 439.512 2.297 0 40 IEAB CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 26912290 OHKBJXVUIBKIIX-UHFFFAOYSA-N 430.549 2.416 0 40 IEAB C[C@H](OC(=O)C1CCN(C(=O)c2ccco2)CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1 32747057 INTPDOSGHBORMH-AWEZNQCLSA-N 448.497 2.318 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)NCCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 32803084 GRNZPSHXSOAKNX-UHFFFAOYSA-N 444.557 2.008 0 40 IEAB CCOC(=O)c1cnn2c1N(S(=O)(=O)c1cn(C)nc1C)[C@H](C1CC1)C[C@@H]2C(F)F 36615313 AAGIFJGDEYCMRN-UONOGXRCSA-N 443.476 2.286 0 40 IEAB CCCN(C(=O)CN1CCN(c2cc(Cl)ccc2C)CC1)[C@H]1CCS(=O)(=O)C1 57455985 FFLDDPINECSFFZ-SFHVURJKSA-N 427.998 2.196 0 40 IEAB CN1CC[C@@]2(CCC1=O)C[C@H](NC(=O)CN(C)C(=O)c1ccco1)c1ccccc1O2 72327763 BZNSYSWQKIYQHI-SBUREZEXSA-N 425.485 2.373 0 40 IEAB CCOC(=O)N1CCc2nn(CC(=O)Nc3ccc(Br)c(C)c3)c(=O)cc2C1 96105735 HXHLPRNYOABNDT-UHFFFAOYSA-N 449.305 2.468 0 40 IEAB CCc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 100433295 VHPGHLVFQSUUBF-PMERELPUSA-N 429.542 2.412 0 40 IEAB O=C(Cn1c(=O)[nH]c2c(-c3ccccc3)c[nH]c2c1=O)N1CCN(c2ccc(F)cc2)CC1 102434803 YLCHKSYQVUGUBQ-UHFFFAOYSA-N 447.470 2.173 0 40 IEAB COCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(OC)c(OC)c1 222959090 AVUQOCKOQPGRMC-KRWDZBQOSA-N 444.528 2.435 0 40 IEAB COc1ccc(S(=O)(=O)N[C@@H](C)COc2ccc(C)cc2)cc1N1C(=O)CCC1=O 224974004 RQSNATNYJNWWIO-HNNXBMFYSA-N 432.498 2.403 0 40 IEAB CC(C)N1C(=O)[C@@H]2[C@@H](C(=O)NC3CCCC3)[C@@]3(C)C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 227204245 XHVCDDNFVURJPI-JELMPRBYSA-N 429.561 2.053 0 40 IEAB CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(C)CCN(c3ncccn3)CC2)C1 257202688 AMWNPZJKXPSSET-DEOSSOPVSA-N 441.551 2.318 0 40 IEAB O=C(NC[C@@]1(O)CCCN(c2cnccn2)C1)c1ccc(OCCN2CCCCC2)cc1 257339740 ZCZRBLVCUHNDGZ-DEOSSOPVSA-N 439.560 2.103 0 40 IEAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)C1 260458001 IGGJIKNLGHVDFF-ZRGWGRIASA-N 443.997 2.351 0 40 IEAB Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CCN(Cc3ccc(Cl)cc3)C2)cs1 306125039 CFJDUXRZTMZBBK-OAQYLSRUSA-N 443.960 2.419 0 40 IEAB CN(C)CCOc1cccc(CN2CC[C@H](O)[C@@](O)(COc3cc(F)ccc3F)C2)c1 585283756 UMYQORAFXUSNKM-GOTSBHOMSA-N 436.499 2.282 0 40 IEAB Cn1cc(C(=O)NCC2CCN(C(=O)c3n[nH]c(C4CC4)c3Br)CC2)cn1 589847177 LZOHMZGBHLMHHQ-UHFFFAOYSA-N 435.326 2.065 0 40 IEAB COCCn1cnc2c(N3C[C@@H]4CN(c5ccnc(C(F)(F)F)c5)C[C@@H]4C3)ncnc21 1888910669 MSDOOIKNNJMXCJ-OKILXGFUSA-N 433.438 2.459 0 40 IEAB CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Cl)cc1 727075 PHWYAVNMEXMKCF-CYBMUJFWSA-N 438.937 2.265 0 40 IEAB O=C(NC[C@H]1CCCO1)c1ccc(Cn2c(S)nc3cc4c(cc3c2=O)OCO4)cc1 2975444 ADZFDKVJIVVHHE-OAHLLOKOSA-N 439.493 2.371 0 40 IEAB CN1C(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2C1=O 3268352 LTPQIKLOKUWAAI-UHFFFAOYSA-N 427.482 2.339 0 40 IEAB COc1cc(CCC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC 3433558 NKCHYOAZAKNTPK-UHFFFAOYSA-N 431.441 2.233 0 40 IEAB CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 8860935 GTTHXVMRKOYSHU-CQSZACIVSA-N 445.570 2.499 0 40 IEAB COc1cccc(CNC(=O)c2nnn(CC(=O)Nc3ccc(OC)c(Cl)c3)c2N)c1 9226961 BTXBNJWJLLHORS-UHFFFAOYSA-N 444.879 2.100 0 40 IEAB O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9314429 OOALNZBQYFSVMD-UHFFFAOYSA-N 429.480 2.412 0 40 IEAB CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)NC[C@@H]1CCCO1 9450511 OMSAQJHVOXKYFF-FDFFUELDSA-N 445.585 2.471 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)NCC(C)C)CC2)cc1 9463198 JDKYOROUKHZHNQ-FQEVSTJZSA-N 435.590 2.159 0 40 IEAB O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 9502488 FGZQIXDKYCICRF-MSOLQXFVSA-N 442.541 2.146 0 40 IEAB O=C(CSc1ncnc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9581142 LUSKRKQRUDKTJV-UHFFFAOYSA-N 444.538 2.382 0 40 IEAB CCN1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)C(=O)C1=O 9599711 QZXSNHCHYDQKCP-KRWDZBQOSA-N 428.489 2.256 0 40 IEAB CN(Cc1cc(Cl)cc2c1OCOC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9614183 GXGPKWCZNBAPDP-UHFFFAOYSA-N 428.876 2.323 0 40 IEAB C[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2 9882758 WHGKBIKBKADPEG-SECBINFHSA-N 430.515 2.136 0 40 IEAB COc1ccc2c(c1)N[C@]1(COC3(CCN(C(=O)Cn4cncn4)CC3)C1)c1cccn1-2 12086247 NMIFLQPNTJCCLE-HSZRJFAPSA-N 434.500 2.180 0 40 IEAB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)n(N)c2=O)cc1 12348164 KLQTWQFSMFLWGA-UHFFFAOYSA-N 429.477 2.212 0 40 IEAB Cc1ccc([C@@H]2CCCN2C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 12986894 BUGCZYGCPGGZHY-FQEVSTJZSA-N 427.526 2.093 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)N2CCc3ccccc32)cc1 14360709 CEZQULDSRSIJKD-FQEVSTJZSA-N 428.510 2.281 0 40 IEAB CCCN1CCN(C(=O)Cn2cncn2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 19502922 AOCCCAOHIPQSPG-QFIPXVFZSA-N 432.528 2.280 0 40 IEAB CC(=O)NCC(=O)N1CCC[C@H]1c1nc(C)c2c(n1)N(CCCc1ccccc1)C(=O)CC2 19696021 MBBLADQVKANYDC-NRFANRHFSA-N 449.555 2.497 0 40 IEAB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C[C@@H](C)O1 21009757 MNHUHZCMTNEZGT-GASCZTMLSA-N 429.498 2.083 0 40 IEAB Cc1nn(C)c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 25287280 YBVFTIIAVNTTEI-UHFFFAOYSA-N 447.380 2.008 0 40 IEAB CC(C)[C@@H](NC(=O)CN1CCN(c2cnccn2)CC1)c1ccc2c(c1)OCCCO2 27633639 IFLXNKRZEHYJRB-HSZRJFAPSA-N 425.533 2.273 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(=O)c3cc(Br)ccc3o2)cc1 27794830 FTFGIEZWNSFTIC-UHFFFAOYSA-N 437.271 2.133 0 40 IEAB O=C1C[C@H](C(=O)N2CCC[C@@H](N3CCNC3=O)C2)CN1Cc1cccc(C(F)(F)F)c1 48286228 WPIVWZKBWUUEBD-DOTOQJQBSA-N 438.450 2.070 0 40 IEAB CCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C1 58146889 ZICDJBGXXPCHKV-SFHVURJKSA-N 426.517 2.091 0 40 IEAB CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 60838991 VXHHXYWSNUQJOX-UHFFFAOYSA-N 445.522 2.216 0 40 IEAB CN(C)CCNC(=O)C1CCN(C(=O)Nc2cccc(Cl)c2N2CCOCC2)CC1 72276860 SOQASDADWXUZQK-UHFFFAOYSA-N 437.972 2.098 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)NCC2CCN(C(=O)/C=C/c3ccco3)CC2)cc1 77200922 HZWHUKQDOXJOAD-RMKNXTFCSA-N 432.498 2.297 0 40 IEAB COC(=O)C(C)(C)CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 95469027 QMXSGWAHICXDCC-INIZCTEOSA-N 436.555 2.179 0 40 IEAB O=C1O[C@]2(CCCN(C(=O)CCNS(=O)(=O)c3ccccc3F)C2)c2ccccc21 207986010 GSVKRDJFYYWLDM-NRFANRHFSA-N 432.473 2.182 0 40 IEAB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCCCN1CCc2ccccc2C1 223826049 SMZFBBKIZYHZMT-GOSISDBHSA-N 445.585 2.414 0 40 IEAB CCN(Cc1ccc(C(=O)N2CCN(C)CC2)cc1)S(=O)(=O)c1ccc(OC)cc1 224466107 WPGJNLYOLOBNTR-UHFFFAOYSA-N 431.558 2.294 0 40 IEAB C[C@H](N)C(=O)N1CCC2(CC1)CO[C@@]1(C)CC[C@H]3OC(C)(C)[C@H](O)CC[C@]3(C)O[C@@H]1C2 257214181 CKXMBUNYPVMHLI-FPZPBXSISA-N 438.609 2.378 0 40 IEAB O=C(Cc1cccnc1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H](N2CCC(O)CC2)CC1 257233672 GQEOAONEFDWVJF-GNKBHMEESA-N 437.584 2.439 0 40 IEAB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1ccc3c(c1)sc(=O)n3C)O2 260892675 CUYIAMJOOJXHBO-MRXNPFEDSA-N 433.511 2.074 0 40 IEAB COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@@H]3CCc4cc(OC)c(OC)cc43)C2=O)cc1 524731007 GLFWTRKKRAAJPV-MSOLQXFVSA-N 439.468 2.331 0 40 IEAB biogenic OC1(CN2CCOC[C@@](O)(COc3cccc(F)c3)C2)CCN(c2cccc(F)c2)CC1 585287561 OJIWURFCMWEFEV-XMMPIXPASA-N 448.510 2.438 0 40 IEAB Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1F 1363949 FZEDUVUZSZISEM-OAHLLOKOSA-N 444.492 2.149 0 40 IEAB Cc1cc(C)cc(-c2nc(SCCN3CCCC3)c3c(=O)n(C)c(=O)n(C)c3n2)c1 7392834 DJSLNPYAHCSIBF-UHFFFAOYSA-N 425.558 2.499 0 40 IEAB COc1ccc(OCC(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)(=O)C3)cc1 8910289 KDRCGWSSGKORNV-UHFFFAOYSA-N 431.445 2.466 0 40 IEAB COc1cccc(/C=c2/sc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3c2=O)c1 9190113 USRJJQJJUTUSTL-RQZCQDPDSA-N 425.466 2.400 0 40 IEAB COc1ccc(CCNC(=O)CCNC(=O)N2CCn3c2nc2ccccc23)cc1OC 9409860 WMCZBFKPSOSJHZ-UHFFFAOYSA-N 437.500 2.332 0 40 IEAB CCCCc1ccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 9712961 DLSQGLBTRLQGMV-OAHLLOKOSA-N 439.516 2.200 0 40 IEAB O=C(c1ccc(N2CCCS2(=O)=O)cc1)N1CCC(C(=O)N2CCCCCC2)CC1 9713706 VEBDBIWVFRPQJX-UHFFFAOYSA-N 433.574 2.481 0 40 IEAB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2cc(C)c(Cl)cc2OC)C1=O 10166938 XEPJTEBMCZFSGY-UHFFFAOYSA-N 425.869 2.249 0 40 IEAB O=C(OCc1cn2cc(Cl)ccc2n1)c1cccc(S(=O)(=O)N2CCOCC2)c1 10733673 HBKYQEPUVZUOAI-UHFFFAOYSA-N 435.889 2.366 0 40 IEAB CCc1ccc(-c2noc(CN3C(=O)N[C@](C)(c4cccc(-n5cnnn5)c4)C3=O)n2)cc1 12802543 IIXAFLUGYBMHIJ-JOCHJYFZSA-N 444.455 2.242 0 40 IEAB C[C@H]1C(=O)C[C@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)Nc4nccs4)[C@H]4C=C[C@@]3(O4)[C@@H]12 12897406 OACAZKAYRUIRND-SKALXCQESA-N 425.466 2.175 0 40 IEAB CC(C)c1ccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(C)(=O)=O)cc1 13566836 RULUDLZIYOAUNX-UHFFFAOYSA-N 430.530 2.405 0 40 IEAB COc1ccc([C@H](CNC(=O)c2ccc(CS(C)(=O)=O)cc2)N2CCOCC2)cc1 15996468 ZTGPTLXOBIYBMB-NRFANRHFSA-N 432.542 2.043 0 40 IEAB Cc1sc2ncn(CC3(O)CCN(CC(=O)N4CCCC[C@H]4C)CC3)c(=O)c2c1C 19561447 RGVUYJKMBYPSSM-OAHLLOKOSA-N 432.590 2.303 0 40 IEAB CNS(=O)(=O)c1ccc(CCC(=O)Nc2nc3c(s2)CCc2c-3cnn2C)cc1 19591962 DBOWNWGMEIVFSS-UHFFFAOYSA-N 431.543 2.122 0 40 IEAB CC(C)C(=O)N1CCC2(CC1)NC(=O)N(C1CCN(C(=O)C3CCCCC3)CC1)C2=O 19699382 VPANDJYURBSLAP-UHFFFAOYSA-N 432.565 2.127 0 40 IEAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 22511896 QUIUIOMPHBDMBV-KRWDZBQOSA-N 432.498 2.324 0 40 IEAB O=C(COc1ccc(Cl)cc1)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1 23134524 VFINNGRWYFHIRB-UHFFFAOYSA-N 430.871 2.178 0 40 IEAB Cc1ccc2nc(COC(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)cc(=O)n2c1 23623970 GYCBXVRWEDZTNJ-IQMFZBJNSA-N 440.500 2.183 0 40 IEAB NS(=O)(=O)c1ccc(CCNC(=O)Cn2ccc3cc(Br)ccc32)cc1 32094774 CGGHFRUHCOAXBY-UHFFFAOYSA-N 436.331 2.410 0 40 IEAB Cc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)Nc1ccccc1F 32780865 STKBDKJMUWGMIB-ZDUSSCGKSA-N 426.491 2.308 0 40 IEAB CCOC(=O)c1ccsc1NC(=O)CN(CCOC)Cc1nc2ccccc2c(=O)[nH]1 32856126 UIMBQRQKBLHAPW-UHFFFAOYSA-N 444.513 2.248 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 44843586 CVXIQROFZPAVFP-UHFFFAOYSA-N 434.493 2.204 0 40 IEAB Cc1c(C(=O)N2CCN(c3ncccn3)CC2)nnn1-c1nc(-c2ccccc2)cs1 49032527 FXNUDSNGWOXRPW-UHFFFAOYSA-N 432.513 2.452 0 40 IEAB COc1ccccc1CCN1CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 57747672 FGMJJVPBUJULIO-LEWJYISDSA-N 428.554 2.369 0 40 IEAB Cc1noc(C)c1CN1CCN(C[C@H](CC(=O)NCc2ccccc2Cl)C(=O)O)CC1 71285832 OCIQTCTZPLDYBC-SFHVURJKSA-N 448.951 2.470 0 40 IEAB O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(-c2nnnn2C2CC2)c1 84374447 JKWWOSOELZIGMJ-UHFFFAOYSA-N 438.492 2.051 0 40 IEAB Cc1nc(CN2[C@@]3(CCN(S(=O)(=O)C4CC4)C3)c3ccccc3S2(=O)=O)cs1 96143193 FOHHJDXQSHPATQ-GOSISDBHSA-N 439.584 2.049 0 40 IEAB CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(S(=O)(=O)c3cccc(C)c3)CC2)O1 96144888 IVPOVZKWWHGHED-LJQANCHMSA-N 446.573 2.139 0 40 IEAB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cc(S(N)(=O)=O)ccc21 100877530 YNQUXNUQFXFLOF-XDOYNYLZSA-N 447.538 2.271 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3CC4)CC2)cc1C 102405004 GVFZYOXBBXDWLC-ZULIPRJHSA-N 432.542 2.049 0 40 IEAB O=S1(=O)C[C@@H](O)[C@@H](N(Cc2ccco2)Cc2nn(-c3ccccc3)c3c2CCC3)C1 107542917 DQNPUNHDBTYEPU-FCHUYYIVSA-N 427.526 2.114 0 40 IEAB CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)c1 108879047 YKTBMWIXZWHHNY-UXLLHSPISA-N 438.546 2.279 0 40 IEAB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1C(N)=O)S(C)(=O)=O 113941133 UDHGJDUUWVDTPD-NSHDSACASA-N 425.894 2.241 0 40 IEAB Cc1cc(C)cc(OCCNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)c1 224098655 MQEXJIKYAXNKGU-UHFFFAOYSA-N 445.585 2.357 0 40 IEAB CC(=O)N[C@]12CCO[C@@H](CCNC(=O)c3ocnc3C)[C@@H]1C[C@H]1C[C@H]2[C@@H](C)NC1(C)C 257268001 MJVSIKYHRCLMNU-JYIWAIADSA-N 432.565 2.179 0 40 IEAB Cc1ccccc1CC(=O)N1CCC2(CC1)CN(C)C[C@H](C(=O)NCc1ccco1)O2 306128085 GPSZUAIJTNDTQX-OAQYLSRUSA-N 425.529 2.139 0 40 IEAB CCOc1ccccc1NC(=O)COC(=O)[C@H](C(C)C)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408658035 KPWUIPXMHRMMHB-IQUZMVKNSA-N 440.496 2.399 0 40 IEAB COC(=O)c1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 408703998 IBPTVUVDZFQLFM-UHFFFAOYSA-N 434.470 2.387 0 40 IEAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCc2ccccn2)cc1 408709526 CSTVTWCVDVGJBO-UHFFFAOYSA-N 432.480 2.318 0 40 IEAB Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]3C=C[C@H]2C3)c(S(=O)(=O)N[C@H]2C[C@H]3C=C[C@H]2C3)c1 606422310 JZOFASPYPMMTJA-DYKIIFRCSA-N 434.583 2.481 0 40 IEAB O=C(Nc1ccc2[nH]nc(NC(=O)[C@H]3CCc4nccn4C3)c2c1)[C@H]1CCc2nccn2C1 682518424 ACTFUIIXCSEQEG-GJZGRUSLSA-N 444.499 2.358 0 40 IEAB CCn1cnc2c(N3C[C@H]4CN(S(=O)(=O)Cc5cc(F)ccc5F)C[C@H]4C3)ncnc21 1888940403 AKOQNWDIVOBJOW-GASCZTMLSA-N 448.499 2.022 0 40 IEAB CCOc1ncccc1C(=O)OCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 3571137 HDAHMKHMVPCQLE-UHFFFAOYSA-N 436.442 2.219 0 40 IEAB C[C@@H]1CN(C(=O)COC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C[C@@H](C)O1 6343434 APFVPAAJDBCMHG-ZIAGYGMSSA-N 438.527 2.342 0 40 IEAB CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(C)c(C)c1 7425758 HKXWZSDFGIOKRP-INIZCTEOSA-N 429.521 2.082 0 40 IEAB CN(Cc1ccccc1Br)C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 9378036 SVWDMKHJIRVTIG-UHFFFAOYSA-N 444.285 2.399 0 40 IEAB CON(C)S(=O)(=O)c1ccc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1 9513616 ZYQIOZFXQWPARS-UHFFFAOYSA-N 430.486 2.412 0 40 IEAB COc1cccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccccc3F)c(=O)[nH]2)c1 9518088 YTGGXRUWYIEYKU-UHFFFAOYSA-N 443.460 2.483 0 40 IEAB Cn1cc(C(=O)N2CCN(c3ccccc3)CC2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 9651357 AARDNCMKXNDLAY-UHFFFAOYSA-N 443.507 2.039 0 40 IEAB CCn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1 9661391 IWJQLCRGDHGDTL-UHFFFAOYSA-N 445.479 2.350 0 40 IEAB CCCn1nnnc1CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O 9874172 KVJVTJIGRFFTDH-UHFFFAOYSA-N 436.472 2.096 0 40 IEAB Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2c1nc1n2C[C@H](O)CN1c1ccccc1 10233916 XKFZCJHZPFOOFY-QGZVFWFLSA-N 437.887 2.111 0 40 IEAB NS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1 11036665 PTFDNVNNCQPLID-UHFFFAOYSA-N 431.239 2.031 0 40 IEAB Cc1nc(-c2ccccn2)ncc1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1 12229766 WTNOSMJQZUWWMK-UHFFFAOYSA-N 429.546 2.260 0 40 IEAB Cc1ccc(C(=O)O[C@@H]2C[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O[C@@H]2CO)cc1 12447639 NXWFPHFVYAGVET-SBHAEUEKSA-N 449.463 2.309 0 40 IEAB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C(=O)N2CCOCC2)c2ccccc2)cc1 12791697 PDNVLVJVRJIIMQ-OAQYLSRUSA-N 431.510 2.302 0 40 IEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(CS(C)(=O)=O)cc1 12890693 NZOZUWDXVXATFU-HNNXBMFYSA-N 443.525 2.067 0 40 IEAB Cc1ccc(C(=O)NCCNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1F 12908340 LLFKWKDYCGYGFQ-UHFFFAOYSA-N 441.912 2.198 0 40 IEAB CCc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 12944471 ZCJLRHRUUCEVTO-UHFFFAOYSA-N 438.571 2.389 0 40 IEAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 17605279 RTFJNJVFHGVBFT-UHFFFAOYSA-N 429.498 2.087 0 40 IEAB O=C1NC2(CCN(CCc3ccccc3)CC2)C(=O)N1C1CCN(C[C@@H]2CCOC2)CC1 19699323 ZVAIKVVAWIPJCN-NRFANRHFSA-N 440.588 2.116 0 40 IEAB Nc1nc(N2CCOCC2)nc2c1[C@H](C(=O)Nc1cccc(Cl)c1Cl)CC(=O)N2 19819955 ZJLJJHZHDPMERI-SECBINFHSA-N 437.287 2.267 0 40 IEAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C[C@@H](C)O1 21009755 MNHUHZCMTNEZGT-HUUCEWRRSA-N 429.498 2.083 0 40 IEAB COc1cccc(CCCNC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1 22333825 MRXHMLHHHHOIHX-UHFFFAOYSA-N 436.530 2.227 0 40 IEAB O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCN(C[C@@H]2CCCO2)CC1 23819753 JKJUYSIKJGKEGY-FQEVSTJZSA-N 429.542 2.424 0 40 IEAB COc1ccc(-n2c(SCC(=O)N3CCNC3=O)nc3ccccc3c2=O)cc1OC 24909510 BKLMLJWUQIVKSF-UHFFFAOYSA-N 440.481 2.047 0 40 IEAB CCn1c(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)nc2c(C)nn(C)c2c1=O 28556898 NOZMNAOGMFZQCD-UHFFFAOYSA-N 438.532 2.208 0 40 IEAB CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1ccccc1F 30862170 JTIQAUFGTBBSHJ-UHFFFAOYSA-N 448.520 2.313 0 40 IEAB COC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(S(=O)(=O)N(C)C)cc3)o2)cc1 35590052 IMGCMCMWEUTVJL-UHFFFAOYSA-N 430.442 2.026 0 40 IEAB COc1ccc2c(c1)c([C@@H](C(=O)O)N1CCN(Cc3cccnc3)CC1)cn2CC(=O)O 36357909 HCBWUYKZLVFRCR-QFIPXVFZSA-N 438.484 2.073 0 40 IEAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CNS(=O)(=O)c2cccs2)cc1 40081983 YKILINUQNKSOPA-ZDUSSCGKSA-N 438.527 2.436 0 40 IEAB O=c1n(Cc2c(F)cccc2Cl)nc2ccc(S(=O)(=O)N3CCSCC3)cn12 49408182 HEDKQYZEANAGRY-UHFFFAOYSA-N 442.925 2.074 0 40 IEAB Cc1nc(COc2cccc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCCCC3)c2)cs1 69978807 LXBAHHVOOWUSMN-WOJBJXKFSA-N 449.598 2.412 0 40 IEAB CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@@H]2CCCCNC2=O)cc1 78932275 VUKZJBPOSVOTKS-QGZVFWFLSA-N 433.555 2.144 0 40 IEAB CC1([C@@H]2CCCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)C2)OCCO1 96010289 GYKBUFTXJYHMOW-DLBZAZTESA-N 440.537 2.228 0 40 IEAB COc1ccc(OC)c(N([C@H](C)C(=O)NCCN(C)c2ccccc2)S(C)(=O)=O)c1 220220965 APYSRDQQIDNHNA-MRXNPFEDSA-N 435.546 2.111 0 40 IEAB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O 224063508 NBHGGLQGLKNNQK-IBGZPJMESA-N 445.585 2.357 0 40 IEAB CCN1CCN(CCCNC(=O)[C@H]2C[C@H]3CC[C@H]2C[C@@]32NC(=O)c3ccccc3N2)CC1 257281927 ORNOCEKSWSLWDD-KLGLLFHNSA-N 439.604 2.118 0 40 IEAB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCCN1CCOCC1 408618910 IELGWORWZMRDAV-UHFFFAOYSA-N 443.997 2.112 0 40 IEAB COc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)c(OC)c1 408666796 SNWHULUQAOGLLN-NVXWUHKLSA-N 426.469 2.477 0 40 IEAB COc1ccc(F)c(CN2CCO[C@]3(CO[C@H](C(=O)N4CCC(C)(OC)CC4)C3)C2)c1 2056226463 RWMSJKHVKGSHHY-REWPJTCUSA-N 436.524 2.222 0 40 IEAB CN(CC(=O)OCC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc(Cl)cc1 3277239 FBFUZBODTBHYMK-UHFFFAOYSA-N 436.917 2.089 0 40 IEAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 3365821 ZEDZCTSCZJANTC-UHFFFAOYSA-N 433.486 2.058 0 40 IEAB CNC(=O)OCC1=C(COC(=O)NC)[C@H]2O[C@@H]1C(C(=O)OC)=C2c1ccc(Cl)cc1 5665120 GSWWHOPYIUGNCK-SJORKVTESA-N 436.848 2.056 0 40 IEAB CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)NC(=S)N[C@]1(O)C(F)(F)F 6147984 USWKMVUNMKVHGY-OUJBWJOFSA-N 427.242 2.398 0 40 IEAB CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2N)c1 8400824 ONTZDWTYVOHNLK-UHFFFAOYSA-N 427.486 2.478 0 40 IEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)OCC(=O)N[C@@H](C)c2ccc(F)cc2)C1=O 9465854 NDRGZCKFQXGDIU-WNSKOXEYSA-N 441.459 2.403 0 40 IEAB COc1ccc(OC)c(NC(=O)CSc2ncc(CO)n2CC(=O)NC2CCCC2)c1 9827587 HREXDADFMGMAOH-UHFFFAOYSA-N 448.545 2.182 0 40 IEAB COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1F 9972953 IIGIDKIMMRFTQR-UHFFFAOYSA-N 447.806 2.255 0 40 IEAB C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(Br)cc1 10519014 CKKVZYKFQZRXEM-SNVBAGLBSA-N 431.333 2.236 0 40 IEAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)Cn1cnc2ccccc2c1=O 12182401 BSZZPINIAWPUIL-OAHLLOKOSA-N 435.509 2.277 0 40 IEAB CC(=O)c1ccc(N2CCN(C(=O)CN3C(=O)CCOc4ccccc43)CC2)c(F)c1 12634484 XXZWPLMZYDPFPG-UHFFFAOYSA-N 425.460 2.493 0 40 IEAB CNS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(I)c1 12893618 YMLPKEZRTSBUAM-UHFFFAOYSA-N 444.294 2.270 0 40 IEAB COc1ccc(CC(=O)Oc2ccc(F)c(F)c2)cc1S(=O)(=O)N1CCOCC1 12904653 CHPMIVBULIWCKZ-UHFFFAOYSA-N 427.425 2.142 0 40 IEAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1 13786010 PHQLDKGCUKOPED-UHFFFAOYSA-N 442.447 2.473 0 40 IEAB COc1ccc(-c2cc(=O)n(CC(=O)N3CCN(CCc4ccccc4)CC3)cn2)cc1 13807493 PFMGXVGBWDMUCO-UHFFFAOYSA-N 432.524 2.306 0 40 IEAB COc1cccc([C@]2(C)NC(=O)N(NC(=O)CSc3ccc(NC(C)=O)cc3)C2=O)c1 14157952 BQVGSPUMADWKBG-NRFANRHFSA-N 442.497 2.244 0 40 IEAB Cc1ccccc1Cn1nnc2c(=O)n(Cc3nc(-c4ccc5c(c4)OCO5)no3)cnc21 16845443 GFOBOUJPMOUBAP-UHFFFAOYSA-N 443.423 2.172 0 40 IEAB C[C@H](CNC(=O)[C@H](C)N1CC[C@@]2(CCC1=O)NC(=O)c1cccnc1N2)c1ccccc1 19456415 AIWLLDIZFXKABD-XVTZWQNCSA-N 435.528 2.254 0 40 IEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccn(CC(=O)N(C)C2CCCCC2)c1=O 19750068 ROBOTKYJEUIGAH-INIZCTEOSA-N 441.576 2.351 0 40 IEAB O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)N1CCN(Cc2cccs2)CC1 22202886 IPMCTYVTOONBGK-UHFFFAOYSA-N 448.552 2.447 0 40 IEAB NC(=O)c1ccsc1NC(=O)CSc1nc(CN2CCOCC2)nc2ccccc12 22358420 XOGDSMNYJZQINX-UHFFFAOYSA-N 443.554 2.353 0 40 IEAB O=C(CSc1nnnn1-c1cccc(F)c1)NCC1(N2CCOCC2)CCCCC1 23805765 HNRCAOHMEBLVPA-UHFFFAOYSA-N 434.541 2.045 0 40 IEAB O=C(Cn1nc2c(c1NC(=O)Cc1noc3ccccc13)CSC2)NC[C@@H]1CCCO1 35596858 IXRJOJVWRDXZQU-ZDUSSCGKSA-N 441.513 2.248 0 40 IEAB Cc1noc(C)c1CN1CCN([C@@H](C(=O)O)c2cn(CC(=O)O)c3ccccc23)CC1 36354824 KXORMWRXCSECCD-OAQYLSRUSA-N 426.473 2.274 0 40 IEAB O=C(OCN1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)NC2CCCC2)c1 40072527 DNSGTUDIBIOYIN-UHFFFAOYSA-N 428.466 2.318 0 40 IEAB CN(C)c1ccc(NC(=O)Cn2cnc3c(nnn3Cc3cccc(Cl)c3)c2=O)cc1 40478039 UXGYDQZQANERSO-UHFFFAOYSA-N 437.891 2.394 0 40 IEAB O=C1CN(Cc2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1 55408292 HJZYXRDLFRQSML-ZWKOTPCHSA-N 435.343 2.464 0 40 IEAB Cc1ccccc1C(=O)NCC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 58406933 QKBQHQNRIKSVIJ-UHFFFAOYSA-N 425.920 2.370 0 40 IEAB Cn1c(=O)n(C)c2cc(C(=O)N3CCC[C@H](n4nc(-c5ccco5)ccc4=O)C3)ccc21 72334926 ONBALSUUOXPERB-INIZCTEOSA-N 433.468 2.171 0 40 IEAB COc1ccc(CC(=O)N[C@@H](C)C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)cc1 72394904 JQLGKLMGSFEZSU-PXNSSMCTSA-N 425.529 2.094 0 40 IEAB O=C(O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)o1 95389883 ACVIMKAVLRDFGX-UHFFFAOYSA-N 448.375 2.023 0 40 IEAB COc1cc(Br)c(S(=O)(=O)N(C)Cc2ccnc(N(C)C)n2)cc1OC 95460042 ARCSZZCPRCYKDM-UHFFFAOYSA-N 445.339 2.143 0 40 IEAB COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCn3cnc4ccccc43)C2=O)cc1 96223077 MJMNWFYLTVAWQP-IBGZPJMESA-N 435.484 2.062 0 40 IEAB CC(C)[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2C(C)(C)[C@H]31 170612544 YMLJWSIWMJJMGD-RGDQZJQZSA-N 436.555 2.165 0 40 IEAB C[C@@H]1Cc2cc(C(=O)NCCCN3CCOCC3)ccc2N1S(=O)(=O)c1ccccc1 223071038 WHMBPVLGDMYZRF-GOSISDBHSA-N 443.569 2.279 0 40 IEAB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2ccccc2F)S(=O)(=O)N(C)C)c1 224233097 RNCJHXSRXXJXNX-AWEZNQCLSA-N 439.509 2.333 0 40 IEAB CC(=O)N[C@H]1C[C@@H](C(=O)N(C)C)N(C(=O)CCn2ncc3ccccc32)[C@H]1c1ccccc1 257232154 GJQJKAZSTNCCLC-SSPYTLHUSA-N 447.539 2.362 0 40 IEAB COc1ccc(CN2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1CO 257259872 LAJYAQLXGXOJKU-QFIPXVFZSA-N 434.920 2.366 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OCC)c(Cl)c2)CC1 408620390 JJTMLCLMAPWLQB-ZDUSSCGKSA-N 446.953 2.207 0 40 IEAB COC(=O)c1cccc(NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1C 409319356 DZUIYNHGJRCRRL-UHFFFAOYSA-N 436.486 2.204 0 40 IEAB CC(=O)N[C@H]1CC2(CCN(C(=O)c3cc(-c4cccc(F)c4)no3)CC2)OC[C@]1(C)O 585267236 MJJHNJAMRGQFCO-FPOVZHCZSA-N 431.464 2.132 0 40 IEAB O=C1NCCCCC2(CCN([C@H]3CCCC[C@@H]3O)CC2)C(=O)NCCOc2ccccc21 643568956 VNKYMDADDHEYQS-SFTDATJTSA-N 443.588 2.481 0 40 IEAB C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCOc2ccc(Br)cc2C1 1155545342 MCGAAUYNEGTMMU-SJCJKPOMSA-N 425.323 2.226 0 40 IEAB O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)N1C[C@@H](CCO)[C@@H](CO)C1 1159698627 UNDRAMXQURQHOY-ZIAGYGMSSA-N 444.962 2.265 0 40 IEAB CC(C)NC(=O)N1C[C@H]2CC[C@H](CNC(=O)c3cccc(=O)n3C)N2Cc2ccccc21 2055747745 SEUINZSCEGKNMU-RTBURBONSA-N 437.544 2.086 0 40 IEAB COC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 914367 BYQDKFPNNNJTJO-UHFFFAOYSA-N 444.509 2.115 0 40 IEAB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(S(N)(=O)=O)cc2)c2nc3ccccc3nc12 2233271 YSNJFXPIKZPARO-GFCCVEGCSA-N 438.513 2.332 0 40 IEAB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)NCc1ccco1 3237372 IPPYXVIFPKVAQX-UHFFFAOYSA-N 425.418 2.130 0 40 IEAB CNS(=O)(=O)c1cccc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 3252475 RPLIAGXIEULOLN-NSHDSACASA-N 447.538 2.375 0 40 IEAB C[C@@H](Sc1nc2cc(S(N)(=O)=O)ccc2n1C)C(=O)Nc1ccc2c(c1)OCCO2 8723605 MDGRSWCXLHLCDT-LLVKDONJSA-N 448.526 2.111 0 40 IEAB Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2ccc(Br)cc2)n(C)c1=O 8926327 QXVQRHOVSJFDAF-UHFFFAOYSA-N 432.322 2.235 0 40 IEAB O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1Cc1nnc(-c2ccccc2Br)o1 9454022 WFAJWBQGHANWMY-AWEZNQCLSA-N 437.225 2.319 0 40 IEAB C[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1 9671611 NJWJOFBSBPVFSV-MRXNPFEDSA-N 435.571 2.239 0 40 IEAB O=C1C[C@H](C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(F)cc2N1 10339796 RNHLOBBGPBEHFX-SFHVURJKSA-N 449.479 2.314 0 40 IEAB CCn1nc(CC(=O)N2CCC[C@@]3(C2)NC(=O)c2ccccc2N3)c2ccccc2c1=O 12089265 VXMIDCRTDUMOSE-DEOSSOPVSA-N 431.496 2.133 0 40 IEAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(C(C)=O)CC3)c2)cc1 12520919 DMIVZVMWWRKCAY-UHFFFAOYSA-N 431.514 2.190 0 40 IEAB CCCCn1c(=O)n(CC(=O)Nc2cc(C)on2)c(=O)c2c1ncn2Cc1ccccc1 12548180 FRHYYIJBZSQSQD-UHFFFAOYSA-N 436.472 2.143 0 40 IEAB CCOc1ccc(NC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@@H]3CCCN3)CC2)C(C)C)cc1 12875311 QFXDFVKWSBVNLV-SFTDATJTSA-N 444.576 2.155 0 40 IEAB biogenic CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 13056986 DGXUBVUWLBSDKA-INIZCTEOSA-N 448.545 2.435 0 40 IEAB CCC1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)c3ccc(C)cc3)CC1)C2=O 13063548 QJVMGYHKMVSKQB-UHFFFAOYSA-N 448.589 2.150 0 40 IEAB COc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 13148187 WRRKGYIQQZBNAU-UHFFFAOYSA-N 432.498 2.284 0 40 IEAB COc1ccc(CNC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sccc32)cc1 13533038 SFNBUCBMPOBDDD-UHFFFAOYSA-N 425.466 2.191 0 40 IEAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1NS(C)(=O)=O 13682166 FQNYVCUMUUFKPK-UHFFFAOYSA-N 437.543 2.403 0 40 IEAB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc21 15247944 BDUROTNLMJXOEA-QGZVFWFLSA-N 443.525 2.305 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N1C[C@@H](C)C[C@@H](C)C1 17920438 RABMYPHHSBPPPN-GASCZTMLSA-N 439.603 2.009 0 40 IEAB COCCCN1C(=O)CCc2c(C)nc(CN(C)S(=O)(=O)c3ccc(F)cc3)nc21 19697990 WFKXVTAJSYTIDD-UHFFFAOYSA-N 436.509 2.061 0 40 IEAB CCc1n[nH]c(C(=O)N2CC[C@H](c3c(C(=O)NCCO)sc4ncccc34)C2)c1C 19702170 IGHJETZEKRUUEW-ZDUSSCGKSA-N 427.530 2.242 0 40 IEAB CNCc1nc(C)c2c(n1)N(CCc1cn(C(=O)CN(C)C)c3ccccc13)C(=O)CC2 19703359 MCERXSKPNYUZJA-UHFFFAOYSA-N 434.544 2.183 0 40 IEAB CNc1nc([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)nc2c1CCN(C(C)=O)C2 19708569 MOADJEDQAAIXLP-LJQANCHMSA-N 426.496 2.338 0 40 IEAB CNc1nc(C2CCN(C(=O)Cc3ccc(OC)cc3)CC2)nc2c1CCN(C(C)=O)C2 19753054 OEZFWCDOGXYUNZ-UHFFFAOYSA-N 437.544 2.380 0 40 IEAB COc1ccc(C(=O)N2CCC[C@@H](c3ncc(C(N)=O)c(C)n3)C2)cc1Cn1cccn1 19763746 HMSFZXXLSQAXFN-QGZVFWFLSA-N 434.500 2.157 0 40 IEAB CC(C)CNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 22242659 ANANKWSGZJNGNT-UHFFFAOYSA-N 433.553 2.278 0 40 IEAB CCOC(=O)c1ccc(N2CCN(Cc3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)nc1 25492718 GMLATBHMJTZOCA-UHFFFAOYSA-N 427.530 2.495 0 40 IEAB Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccccc2)N3C)cc1 35442430 OPYYXVOXHPEERY-ARNLJNQMSA-N 434.584 2.465 0 40 IEAB biogenic,in-vitro CCN(CC)C(=O)Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 40074750 CKHRIOMFRSEGBL-UHFFFAOYSA-N 432.546 2.462 0 40 IEAB O=C(N[C@H]1CCCN(c2ncccn2)C1)c1sccc1S(=O)(=O)N1CCCCC1 40145642 CAMQTKMGDYFOIX-HNNXBMFYSA-N 435.575 2.112 0 40 IEAB COc1cccc(CNC(=O)Cn2cnc3c(c2=O)CN(Cc2ccc(C)cc2)CC3)c1 49400914 IMSFXTQDICRUKP-UHFFFAOYSA-N 432.524 2.435 0 40 IEAB CN1CCCN(c2ccc(CNC(=O)Nc3cccc(Cn4cccnc4=O)c3)cn2)CC1 58224073 RJUUXRIMUJTLEJ-UHFFFAOYSA-N 447.543 2.150 0 40 IEAB Cc1nnsc1C(=O)N1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1 72325532 VJJBYPMUFKYOSG-IBGZPJMESA-N 433.921 2.447 0 40 IEAB COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 89420166 KOUIGIMBPIURKF-KDOFPFPSSA-N 433.892 2.110 0 40 IEAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N1CCn2c(nn(C)c2=O)C1 89520870 JJYXIAUFEZEOPL-UHFFFAOYSA-N 435.315 2.276 0 40 IEAB O=C(Nc1nc([C@@H]2CCCO2)n[nH]1)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 95472288 HWYUOJGDIVIVHK-AWEZNQCLSA-N 425.898 2.492 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Br)s3)[nH]n2)cc1 95476970 YXRRPBLGBCQUBU-UHFFFAOYSA-N 441.332 2.478 0 40 IEAB Cc1cccc(-c2noc(CNC(=O)CCCN3C(=O)c4ccccc4S3(=O)=O)n2)c1 219448755 FCWINDMZHUWNDR-UHFFFAOYSA-N 440.481 2.286 0 40 IEAB CN(CC(=O)N1CCC[C@H](c2nn(C(C)(C)C)c3ncccc23)C1)[C@H]1CCS(=O)(=O)C1 248044776 WCIXNSRYIZXLSN-IRXDYDNUSA-N 447.605 2.011 0 40 IEAB CC(=O)N1CCCN(C(=O)[C@@]2(Cc3cc(-c4ccccc4)no3)CCN(C(C)=O)C2)CC1 257226254 FJVSMJBWEDKMAU-XMMPIXPASA-N 438.528 2.204 0 40 IEAB CNC(=O)[C@@H]1C[C@@H](N)[C@H](c2ccccc2)N1C(=O)c1ccc(OCCN2CCCC2)cc1 257253862 KANZNHFNXNSNRY-VJBWXMMDSA-N 436.556 2.190 0 40 IEAB CN1Cc2nnc(C(=O)NCc3ccccc3)n2C[C@@]12CCN(Cc1cccc(F)c1)C2 306124274 BLJVFXKKMCDIJH-DEOSSOPVSA-N 434.519 2.437 0 40 IEAB C[C@H](C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)N(c1ccccc1)S(C)(=O)=O 408621182 OOXOAJKTFXIHLH-AEFFLSMTSA-N 445.541 2.389 0 40 IEAB C[C@@H]1CCNC(=O)[C@H]1NC(=O)[C@@H]1CCCCN1C(=O)c1ccc(Br)c(F)c1 509060131 IWGWECXGDOTYKX-RLCCDNCMSA-N 440.313 2.224 0 40 IEAB Cc1nc(-c2cccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)c2)n[nH]1 511801637 KFIROOUUVAZSAK-UHFFFAOYSA-N 425.514 2.263 0 40 IEAB O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)Cn2c(=O)nc(O)c3ccccc32)C1 563979941 IHYVWURJDMAPPV-IBGZPJMESA-N 448.523 2.232 0 40 IEAB CCOC(=O)[C@@H]1CN(Cc2ccco2)C[C@H]2CN(C(=O)c3ccccc3C)CCN2C1 585108216 XZLSQXMMJHAWFO-UXHICEINSA-N 425.529 2.410 0 40 IEAB O=C1NCCNC(=O)C2(CCCCOc3ccccc31)CCN(C(=O)c1ccon1)CC2 643275749 BTKAGFRHAQQANX-UHFFFAOYSA-N 440.500 2.006 0 40 IEAB Cc1cc(=O)c(C(=O)N2CC[C@@H](N3CCOC3=O)C2)nn1-c1ccccc1C(F)(F)F 1130824693 SIBAJBGRHANASM-CYBMUJFWSA-N 436.390 2.226 0 40 IEAB COc1ccc(CCNC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 3217657 FSCMVGLQHFOMLF-IZZDOVSWSA-N 430.526 2.088 0 40 IEAB COc1ccc(NC(=O)CSc2nnc(-c3nonc3NC(C)=O)n2C)cc1Cl 8614173 FVOCHRWIYYBTNV-UHFFFAOYSA-N 437.869 2.216 0 40 IEAB CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)n1 8867358 VXSRDMVLXYANGI-UHFFFAOYSA-N 428.923 2.215 0 40 IEAB CN(C(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 9348691 AGJIQRIKJJYAIX-HRYODUOUSA-N 428.919 2.022 0 40 IEAB CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 9489698 PRTWIHVNEIBZOT-NRFANRHFSA-N 443.569 2.449 0 40 IEAB COc1ccc(S(=O)(=O)NCc2cccnc2)cc1N(C)S(=O)(=O)c1ccccc1 10383311 PLBJQHCZQMMKIS-UHFFFAOYSA-N 447.538 2.394 0 40 IEAB CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11691757 USWKMVUNMKVHGY-KWBADKCTSA-N 427.242 2.398 0 40 IEAB CCCCn1c(COC(=O)c2cnc(C)cn2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 12547424 RQBUOMLEHWUXEZ-UHFFFAOYSA-N 448.483 2.190 0 40 IEAB COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CSc3nc4ccccc4n3C)C2=O)cc1 12549537 YHCVUSORLKDIGS-OAQYLSRUSA-N 439.497 2.172 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@H](C(F)(F)F)C3)CC2)cc1 12944064 RHAAJBMIEBJDGT-INIZCTEOSA-N 433.496 2.102 0 40 IEAB CCc1cccc(N2C[C@@H](C(=O)N3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)CC2=O)c1 12978213 ZNFKBGUYIDYAGO-IBGZPJMESA-N 449.507 2.315 0 40 IEAB C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1 13494685 AAMKBLDQFJXQIZ-SNVBAGLBSA-N 428.499 2.273 0 40 IEAB C[C@H](OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)C(=O)Nc1ccc(C(N)=O)cc1 14245159 AYIYHBMLQXNXIC-AWEZNQCLSA-N 448.479 2.406 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 14413320 XOTWODRBVSEVKB-UHFFFAOYSA-N 448.497 2.281 0 40 IEAB COc1ccccc1CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 14603623 FQIFMOSQGCGBSO-CALCHBBNSA-N 432.542 2.466 0 40 IEAB Cn1ncc2c(=O)n(CCC(=O)Nc3ccccc3C(=O)NCCc3ccccc3)cnc21 14772394 SYARGRVHSMJKLV-UHFFFAOYSA-N 444.495 2.131 0 40 IEAB CN1CCN(C(=O)C[C@@H]2CCNC[C@@H]2Cc2cc(CN(C)Cc3ccccc3)on2)CC1 15673536 WKNWGIWLIGJVJI-VXKWHMMOSA-N 439.604 2.239 0 40 IEAB biogenic,in-vitro Nc1cccc(S(=O)(=O)NS(=O)(=O)c2nnc(-c3ccccc3Cl)s2)c1 16450659 WBIHAJRWNIPCBG-UHFFFAOYSA-N 430.920 2.108 0 40 IEAB COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3O)c(=O)n2[C@H]1c1ccccc1 17243175 ZVRHMMIWBCGFEL-WPNIOXTASA-N 436.489 2.122 0 40 IEAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)CN4CCN(C)CC4)C3)cc2n1 19452406 ZIGUNXYVBMDNEJ-HNNXBMFYSA-N 438.498 2.435 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)CCn3nccc3C)[nH]c2=O)C1 19501647 HURPIILRZHBXDY-LJQANCHMSA-N 440.548 2.104 0 40 IEAB COC(=O)c1cc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc(C(=O)OC)c1 19679172 XJSZDLQYACCGON-UHFFFAOYSA-N 446.481 2.224 0 40 IEAB CC[C@H](Sc1nc2cc(OC)c(OC)cc2c2nc(C)nn12)C(=O)N1CCOCC1 20216175 KQTSUHLMFDEMEW-KRWDZBQOSA-N 431.518 2.333 0 40 IEAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1 20727298 MXPYVVDIMKPZNT-FQEVSTJZSA-N 429.498 2.309 0 40 IEAB COc1cc2ncn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2cc1OC 20733302 GRXDSJUKVVVRGS-UHFFFAOYSA-N 442.903 2.416 0 40 IEAB NC(=O)c1cc(NC(=O)COC(=O)c2ccc(-c3ccc(F)cc3)o2)cc(C(N)=O)c1 21500151 KFNXPIYRQHLDBY-UHFFFAOYSA-N 425.372 2.079 0 40 IEAB CCc1ccc(N(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)cc1 22361662 VARLWXDCHFXPKK-UHFFFAOYSA-N 436.530 2.357 0 40 IEAB CN1CCN(CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)CC1 22933941 UUEZSABQAWYFNS-QHCPKHFHSA-N 442.585 2.421 0 40 IEAB CCOC(=O)Cc1csc(NC(=O)CN2CCN(Cc3cccc(OC)c3)CC2)n1 23477226 OGTWZVMKUPGGMU-UHFFFAOYSA-N 432.546 2.014 0 40 IEAB O=C(CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1)Nc1ccnn1C1CCCC1 31597203 AUHZDSCNPCOUKS-UHFFFAOYSA-N 445.589 2.474 0 40 IEAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 32865723 VYKPHXGFYNJHAY-UHFFFAOYSA-N 448.589 2.036 0 40 IEAB COc1cccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)c1 44857295 VQORKHQRLKUIAJ-UHFFFAOYSA-N 431.558 2.373 0 40 IEAB Cc1nccn1-c1cc(CNC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)ccn1 48309672 PKCSCGVBKCWHBU-UHFFFAOYSA-N 430.468 2.141 0 40 IEAB O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)Nc1ccc(C(=O)N2CCCC2)cc1 69930163 XBIWHBXEHDEDFW-JOCHJYFZSA-N 446.507 2.337 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)NCCn3c(C)nc4ccc(F)cc4c3=O)CC2=O)c1 79477641 XWKSCILHFRTLEE-HNNXBMFYSA-N 438.459 2.022 0 40 IEAB CC(C)n1cnc([C@@H]2CN(S(C)(=O)=O)c3ccc(C(=O)NCc4ccncc4)cc32)n1 96156455 ZKUKAQHVXAEQPW-GOSISDBHSA-N 440.529 2.096 0 40 IEAB COc1ccc(/C=C2/SC(=O)N(CCNC(=O)CCNC(=O)c3ccco3)C2=O)cc1 96551226 DUQMSSFXSLFGSI-GHRIWEEISA-N 443.481 2.261 0 40 IEAB O=c1c(CN2CCOCC2)coc(O)c1CN1CCN(C/C=C/c2ccccc2)CC1 101373347 VQDQPBJLGLOCEX-QPJJXVBHSA-N 425.529 2.009 0 40 IEAB Cc1cc(NC(=O)Cn2c(=O)/c(=C\c3ccc(C)s3)s/c2=C/C(=O)C(C)(C)C)no1 105798766 IHOPATFLBUFSNE-MPGSNBGNSA-N 445.566 2.439 0 40 IEAB CCOc1ccc(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)cc1OCC 219665444 JCVWYFFLCFPVSY-UHFFFAOYSA-N 432.498 2.335 0 40 IEAB CC(C)n1cnc([C@H]2CN(C(=O)c3ccn(C)n3)C[C@]23CCN(Cc2ccncc2)C3=O)c1 306129359 IBHADMZXZRCPNH-NTKDMRAZSA-N 447.543 2.251 0 40 IEAB FC(F)(F)c1cc(N2CCN(c3ncnc4c3ncn4C[C@@H]3CCCO3)CC2)ncn1 1888910698 URKJEYBXCYBDHZ-ZDUSSCGKSA-N 434.426 2.141 0 40 IEAB NS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2Cl)C[C@H]2CCCO2)cc1 933115 LAVAFRGRKADEKZ-OAHLLOKOSA-N 444.962 2.357 0 40 IEAB COCCNC(=O)NC(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 3358541 STUOGYHMQLDIQW-UHFFFAOYSA-N 428.470 2.230 0 40 IEAB C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NCCc1ccc3c(c1)OCCO3)C2=O 3422538 DVLKZWKOFMMBGP-CMJOXMDJSA-N 429.517 2.253 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1ccc(-n2ccnc2)cc1 6148079 MZKGKFUEPZAVGX-UHFFFAOYSA-N 427.482 2.421 0 40 IEAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 9226263 JRNZJUCZPGDSEK-NSHDSACASA-N 426.878 2.425 0 40 IEAB CCn1cnc2c1c(=O)n(CC(=O)N(C)Cc1cccs1)c(=O)n2Cc1ccccc1 9318724 YBSOTONUUXOTCW-UHFFFAOYSA-N 437.525 2.148 0 40 IEAB O=C(CN1C(=O)S/C(=C\C(Cl)=C\c2ccccc2)C1=O)N[C@@H]1CCS(=O)(=O)C1 9348727 RRHMJTKRLVZEDB-ZVYNFTEKSA-N 440.930 2.149 0 40 IEAB O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)OCCO2 9835079 JSCVBRKHKSHPEN-IBGZPJMESA-N 430.526 2.406 0 40 IEAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)COc5ccccc5)CC4)ncnc32)cc1 11665815 DBLYFWCTWOMJPG-UHFFFAOYSA-N 429.484 2.247 0 40 IEAB O=C(CCCNC1=NS(=O)(=O)c2ccccc21)NCc1ccccc1Cn1cccn1 12933337 GDOUGGVWFDRDDJ-UHFFFAOYSA-N 437.525 2.067 0 40 IEAB COC(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1Cl 13567050 CHUZUDVAWHKUCX-UHFFFAOYSA-N 440.861 2.260 0 40 IEAB COc1ccc(N([C@@H](C)C(=O)NCCCN2CCCCC2)S(C)(=O)=O)cc1Cl 13648316 NWOUGPGVJRDOIC-HNNXBMFYSA-N 431.986 2.495 0 40 IEAB CCN(C(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccccc1)[C@H]1CCS(=O)(=O)C1 14240872 JRZBBVKAURTIDX-ZBFHGGJFSA-N 445.570 2.332 0 40 IEAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c(C)c1 14867854 DJGJANPKLVKIGC-UHFFFAOYSA-N 437.587 2.349 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 17958704 MHILWUFOOLFWPA-HUUCEWRRSA-N 448.317 2.154 0 40 IEAB C[C@@H]1Cc2cc([C@H](O)CN3CCC(NC(=O)C4CCCC4)CC3)ccc2N1S(C)(=O)=O 19497861 HLSNKMNTXWKVML-OPAMFIHVSA-N 449.617 2.201 0 40 IEAB Cc1nc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2)ncc1C(=O)N1CCOCC1 19751842 FCZJDDAREUDWOI-LJQANCHMSA-N 448.520 2.312 0 40 IEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)Cc2nn(C)c(=O)c3ccccc23)c1C 22499118 AMLQCRIMSNIYKU-ZDUSSCGKSA-N 425.441 2.022 0 40 IEAB COC(=O)c1ccc2c(=O)n(CC[C@](O)(c3ccc(C)o3)C(F)(F)F)c(=O)[nH]c2c1 24837577 GRQJJVVPJYOMNB-SFHVURJKSA-N 426.347 2.218 0 40 IEAB O=C(Cn1nnn(-c2ccccc2)c1=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 24929620 ASELSSSADJGCBF-IBGZPJMESA-N 426.908 2.036 0 40 IEAB COCCCN1C(=O)c2ccc(C(=O)N3CCN(C)c4nc5ccccc5nc43)cc2C1=O 25090650 QZFPCBQRTFUOMC-UHFFFAOYSA-N 445.479 2.359 0 40 IEAB O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 25984609 OWJTVSYCORPFJK-RDJZCZTQSA-N 436.917 2.449 0 40 IEAB COc1ccc(OC)c(CCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 29081605 YVLZBCBOZPZEMS-JOCHJYFZSA-N 440.496 2.147 0 40 IEAB CCOC(=O)C1=C(CN2CCC[C@@H](C(=O)OCC)C2)NC(=O)N[C@H]1c1ccc(C)cc1 36163074 HTIRTVKGVHRZQS-XLIONFOSSA-N 429.517 2.441 0 40 IEAB CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)Nc1ccccc1OC(F)F)C2=O 39575297 JOZRTHVBEWDIGU-UHFFFAOYSA-N 439.415 2.270 0 40 IEAB CCOc1ccc(OCCN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 40161505 YHOOUZKQYRKDCH-UHFFFAOYSA-N 448.541 2.242 0 40 IEAB Cc1cc(C)cc(OCCOC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 58440187 ZFHZEPKVABXTBF-UHFFFAOYSA-N 435.546 2.368 0 40 IEAB Cc1nc(-c2ccc(F)cc2)n(CC(=O)NCc2ccc(F)cc2F)c(=O)c1CCO 67301107 GDPHIYIXIJDDHH-UHFFFAOYSA-N 431.414 2.487 0 40 IEAB NC(=O)[C@@H]1CC(C(=O)NC[C@](O)(Cc2ccccc2)c2ccccc2)=NN1c1ccccc1 72304414 LYXIBRPUAIZVKZ-JYFHCDHNSA-N 442.519 2.353 0 40 IEAB Cc1nc2n(n1)CCN(C(=O)c1cc(S(=O)(=O)Nc3ccc(F)cc3)ccc1C)C2 72311760 GUYVWXPBLPEXOU-UHFFFAOYSA-N 429.477 2.491 0 40 IEAB O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CCN(c3ccccn3)CC2)C1 78805961 IVVCIEVCRYYIRN-HXUWFJFHSA-N 444.557 2.335 0 40 IEAB COC(=O)CS(=O)(=O)C1CCN(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)CC1 96099684 CTKBMNAHYAVLNR-UHFFFAOYSA-N 447.484 2.249 0 40 IEAB Cc1ccccc1C(=O)/C=c1\s/c(=C\c2cccc(F)c2)c(=O)n1CC(=O)NC(C)C 96920392 NAOXJLWBYXJHBG-JNCKMVCSSA-N 438.524 2.374 0 40 IEAB COC(=O)/C=C1\C=CC=C[C@@]12[C@H](C(=O)OC)c1ccccc1[C@H](C(=O)OC)[C@@H]2C(=O)OC 104196167 OTPASNOGWCELDD-KQCYJZERSA-N 440.448 2.214 0 40 IEAB COc1ccc(-c2noc(CNS(=O)(=O)c3ccc(NC(C)=O)cc3)n2)c(OC)c1 223766650 AOUBHBOFPGDOHE-UHFFFAOYSA-N 432.458 2.191 0 40 IEAB Cc1nc(CN2CC[C@@]3(CN(C(=O)c4ccncc4)C[C@H]3c3cn(C)cn3)C2=O)cs1 306131649 KLBRGZNEXJVJRS-AVRDEDQJSA-N 436.541 2.239 0 40 IEAB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408666152 SJXBBWKRUOTRSW-XJSUSFSXSA-N 449.301 2.350 0 40 IEAB CCOC(=O)/C=c1/s/c(=C/c2ccsc2)c(=O)n1CC(=O)N[C@H](C)c1ccccc1 585145801 LHTPQSDJSAKCQP-LVXUMMDMSA-N 442.562 2.021 0 40 IEAB CCOc1ccc(S(=O)(=O)N2CCC(N3CC(=O)N(CC(F)(F)F)C3=O)CC2)cc1 585148500 MXLNWNUCBKZIOA-UHFFFAOYSA-N 449.451 2.065 0 40 IEAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1C 2653436 TZUMIKGCOZOGHY-UHFFFAOYSA-N 436.468 2.066 0 40 IEAB COCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2c(F)cccc2Cl)c(=O)n1C 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431.489 2.409 0 40 IEAB COc1ccc2c(c1)O[C@]1(CCC(=O)N(CC(=O)N3CCC[C@H](C)[C@@H]3C)CC1)CNC2=O 19496674 YVAYBFDRDOIBNJ-UAVUOLJFSA-N 443.544 2.216 0 40 IEAB CNc1cc(CNC(=O)[C@@H](c2ccc(F)cc2)N2CCOCC2)nc(-c2ccncc2)n1 19592314 RWSMMQKPUCJDTM-OAQYLSRUSA-N 436.491 2.409 0 40 IEAB COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2CCN(C)CC2)cc(OC)c1OC 22784305 OPPMPUKWUNMSQB-INIZCTEOSA-N 433.534 2.167 0 40 IEAB COc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 23233756 FSRHMGRHTIPJCI-UHFFFAOYSA-N 432.502 2.225 0 40 IEAB CCCn1c(N)c([C@H](c2ccc(OC)cc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O 25778052 LBGOLUASLMBPIM-QFIPXVFZSA-N 449.555 2.449 0 40 IEAB CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)NCc1cccnc1N1CCOCC1 31327057 WAETWFJJAYVLET-LJQANCHMSA-N 432.471 2.267 0 40 IEAB O=C(N[C@@H]1CCC[C@H](OCC(F)(F)F)C1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 32402097 FPRCUDXYKQIBBU-YPMHNXCESA-N 426.395 2.040 0 40 IEAB O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1c[nH]c2ccccc12 35286871 COZKOXOZFUBGQG-UHFFFAOYSA-N 441.509 2.128 0 40 IEAB COc1ccccc1[C@H](CNC(=O)CNC(=O)c1ccc2c(c1)OCO2)N1CCCCC1 40157493 MCUZZTUGGATCJZ-IBGZPJMESA-N 439.512 2.497 0 40 IEAB COc1cccc(CNC(=O)CSc2ncnc3nc(N4CCOCC4)sc23)c1 57507046 QISPOIZFPWQSAA-UHFFFAOYSA-N 431.543 2.340 0 40 IEAB CCN(CC)c1ncc2c(=O)[nH]c([C@@H]3CCCN(C(=O)c4cn5cccnc5n4)C3)cc2n1 57775383 RTTWGPLIKBJCMU-OAHLLOKOSA-N 446.515 2.227 0 40 IEAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 69871501 VOZDNLSCYXQFCR-MRXNPFEDSA-N 438.550 2.009 0 40 IEAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1 72294631 QIKGCYXTBYHCES-OAHLLOKOSA-N 435.956 2.292 0 40 IEAB CS(=O)(=O)N1CCC[C@H](c2cc(=O)[nH]c(C3CCN(Cc4ccsc4)CC3)n2)C1 72399203 NPDYXIIBLQUPKH-KRWDZBQOSA-N 436.603 2.350 0 40 IEAB COc1ccc(-n2nnc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 77100324 OTQWRIHKMJOWFB-UHFFFAOYSA-N 433.394 2.047 0 40 IEAB O=C(NCCCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C(F)(F)F 84606024 XIFNUKUICWJIBN-UHFFFAOYSA-N 429.464 2.215 0 40 IEAB NC(=O)C1CCN(C(=O)[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 101502605 FAGHSUJMZWUXPZ-FZNQNYSPSA-N 441.981 2.149 0 40 IEAB Cc1ccc(-c2noc(CNC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(C)ccc4O3)n2)cc1 219400460 VCWGPRMTNSSKBN-SFHVURJKSA-N 442.497 2.197 0 40 IEAB Cc1ccc(-c2noc(CN(C)C(=O)COc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 223318190 GTGMCOLTFDFDOG-UHFFFAOYSA-N 444.513 2.478 0 40 IEAB CCc1noc(CCC(=O)NC[C@@]2(c3ccccc3)CC[C@H](O)[C@@H](NC(C)=O)CC2)n1 257325598 WTRBMXZSOAOPGS-YDHSSHFGSA-N 428.533 2.058 0 40 IEAB Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccc(OCCN)cc3)C2)c2cnccc2n1 257335130 YIUMZZMNTAMVQY-DEOSSOPVSA-N 435.528 2.037 0 40 IEAB CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 409107395 RORBKOITTNOMQE-XDHOZWIPSA-N 437.452 2.468 0 40 IEAB CCOc1cccc2c1OCCCCCNC(=O)CN(C(=O)CCc1ccnn1C)C2 643575860 MEPOZPFXGGQIDK-UHFFFAOYSA-N 428.533 2.459 0 40 IEAB COCCNC(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccccc1CN(C(C)C)CC2=O 958317790 NSETVPQDIKIKTH-SFTDATJTSA-N 443.588 2.463 0 40 IEAB CCc1nnc2ccc(N3C[C@H]4CN(C(=O)Nc5ccc(OC)cc5OC)C[C@H]4C3)nn12 1888944396 QFXWNNPXQUWBNW-GASCZTMLSA-N 437.504 2.304 0 40 IEAB COc1ccc2c(c1)CCC[C@]21NC(=O)N(CC(=O)Nc2ccc(OC)c(OC)c2)C1=O 2657170 NOZDSRQHTQNMOZ-QHCPKHFHSA-N 439.468 2.435 0 40 IEAB CC(=O)c1ccccc1NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 2661656 JLDRDNVMPZVEIY-SFHVURJKSA-N 448.472 2.363 0 40 IEAB CSc1nc(N2CCOCC2)c2cnn(CCNC(=O)Cc3ccc(Cl)cc3)c2n1 8947430 NSQURFXBRVQULB-UHFFFAOYSA-N 446.964 2.397 0 40 IEAB CNC(=O)NC(=O)[C@H](C)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(C)cc1C 9254326 ZIFMYWJOHYPNKS-KXBFYZLASA-N 437.500 2.303 0 40 IEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(CSc1nnc3nc(C)cc(C)n13)n2CCC 9442066 CZRHTCIEHOWNMZ-UHFFFAOYSA-N 442.549 2.443 0 40 IEAB O=C(CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O)Nc1ccc2c(c1)OCCCO2 9504015 SUJMZGPCJUQMRA-SFHVURJKSA-N 434.452 2.431 0 40 IEAB COc1cc(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)cc(OC)c1OC 10217691 BVNNLVZHVJPDAZ-UHFFFAOYSA-N 428.441 2.297 0 40 IEAB Cc1c(C)n2c3c(=O)n(Cc4ccccc4F)c(=O)n(C)c3nc2n1CCCn1ccnc1 10233636 DNUORBVDUITIKY-UHFFFAOYSA-N 449.490 2.240 0 40 IEAB CCOC(=O)c1ccccc1NC(=O)CN1CCCN(Cc2ccc(F)cc2)S1(=O)=O 10272414 MCAGTBOWSRAXNH-UHFFFAOYSA-N 449.504 2.394 0 40 IEAB COc1ccc(CCCNS(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1 10543180 PIZKISSPFWNKGL-UHFFFAOYSA-N 448.541 2.087 0 40 IEAB COc1ccc(OCCNC(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)cc1 12003527 OXNUXOQLTMWMLX-UHFFFAOYSA-N 438.889 2.224 0 40 IEAB COc1ccc2c(c1)C(=O)NC[C@@]1(CCC(=O)N(CC(=O)N(C)C3CCCCC3)CC1)O2 12087084 SOFHYPZBMLJJNT-DEOSSOPVSA-N 443.544 2.360 0 40 IEAB COc1cc2cc(C(=O)NCC(=O)Nc3ccc4c(c3)OCO4)n(C)c2c(OC)c1OC 12324732 LKFRABMEXXTVQB-UHFFFAOYSA-N 441.440 2.301 0 40 IEAB CN(CC(=O)Nc1ccccc1Br)C(=O)CN1C(=O)COc2ccccc21 12800936 YHVZYZOSYPAXGM-UHFFFAOYSA-N 432.274 2.272 0 40 IEAB Cc1cc(C)c(S(=O)(=O)N2CCN(CN3C(=O)CC4(CCCC4)C3=O)CC2)c(C)c1 12924079 UMPNXBCNCIUSPZ-UHFFFAOYSA-N 433.574 2.195 0 40 IEAB CCOc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 13030360 QCGOHONCQYBJEN-UHFFFAOYSA-N 439.484 2.309 0 40 IEAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 13036774 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O=C1C[C@@H](Cc2ccc(C(=O)N[C@@H]3CCN(c4ccccc4Cl)C3=O)cc2)C(=O)N1 72301026 JMMBAVPOZMLXAQ-NVXWUHKLSA-N 425.872 2.081 0 40 IEAB Cc1cc(C)n(-c2ccc(=O)n(CCNS(=O)(=O)c3cccc(Cl)c3Cl)n2)n1 77197036 FMYINHJAYUKOOK-UHFFFAOYSA-N 442.328 2.331 0 40 IEAB COc1ccc(OC)c([C@H](c2nnnn2Cc2ccccc2)N2CCC(C(N)=O)CC2)c1 95232861 JRZNPKKCBNAVPD-OAQYLSRUSA-N 436.516 2.025 0 40 IEAB Cc1cccc(C[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)O)c1 95425412 GMPXYIQKDGJGOQ-QGZVFWFLSA-N 427.457 2.413 0 40 IEAB Cc1ccc(C(=O)N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)cc1 97943487 XBPLATWWTLXMFQ-OAQYLSRUSA-N 431.496 2.456 0 40 IEAB COc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3Cl)C2)c1 138826685 USAKYDLSVDYHOG-CYBMUJFWSA-N 445.859 2.024 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccccc1F)S(C)(=O)=O 223566010 BVZTUOHELMUDOF-KRWDZBQOSA-N 449.548 2.454 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2cc(C)ccc2C)cc1OC 224049807 IQPLJGPEDIIDNI-UHFFFAOYSA-N 436.530 2.136 0 40 IEAB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O 225421532 ZGTWBMHMKRKGGI-KRWDZBQOSA-N 449.548 2.372 0 40 IEAB O=C1CCCN1Cc1cn(C2CN(C(=O)CCc3ccccc3Br)C2)nn1 225631304 IPJHMTGGTYCBCN-UHFFFAOYSA-N 432.322 2.179 0 40 IEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)NCCCN1CCCC1=O)[C@]1(C2)NC(=O)c2ccccc2O1 253596143 NQGZVQNOPRBKND-WYWCTVAXSA-N 425.529 2.460 0 40 IEAB Cc1ccc(CS(=O)(=O)N2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)cc1 257275802 NQYHNBHAGOTVFA-SFHVURJKSA-N 426.502 2.222 0 40 IEAB CCOC(=O)COc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccccc2)S3(=O)=O)cc1 260840446 VBGWBJZNPUMBCH-YCRPNKLZSA-N 430.482 2.176 0 40 IEAB CCOC(=O)N1CCN(C(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)CC1 408695970 XGVURCBEOPEGMS-UHFFFAOYSA-N 431.942 2.187 0 40 IEAB CC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)c2ccccc21 555740297 YCUAMIKJMWUBRY-WOJBJXKFSA-N 434.496 2.215 0 40 IEAB COc1cc(CNCc2ccc(NS(C)(=O)=O)cc2)ccc1OCC(=O)N1CCCC1 642624708 LLOKYLWFELDDQI-UHFFFAOYSA-N 447.557 2.358 0 40 IEAB COc1ccc(S(=O)(=O)N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)c(OC)c1 1888897918 RWBFRPXYTSITQC-IYBDPMFKSA-N 430.530 2.128 0 40 IEAB Cn1c(N)c(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(=O)n(C)c1=O 3362241 CQRMGQJZWMAKCN-UHFFFAOYSA-N 439.522 2.313 0 40 IEAB Cc1cc(Br)ccc1NC(=O)CNC(=O)Cn1ncc(Cl)c(Cl)c1=O 3464661 FQXHPWBWQMPIKU-UHFFFAOYSA-N 448.104 2.376 0 40 IEAB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1ccc(F)cc1 9289668 OMMGLYHKJLNIRH-UHFFFAOYSA-N 443.460 2.344 0 40 IEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)OCCO2 9510003 DGJFLEAVGAOZIZ-AWEZNQCLSA-N 448.497 2.201 0 40 IEAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)NCCN1C(=O)CSC1=O 9631233 MKPXTYNEFWKYKI-UHFFFAOYSA-N 427.482 2.082 0 40 IEAB O=C1c2ccccc2S(=O)(=O)N1CCSc1nnc(NC[C@H]2CCCO2)s1 9846661 USZCPOXDFXIRLF-LLVKDONJSA-N 426.545 2.066 0 40 IEAB CCN(CC)C(=S)SCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 10021733 YQHVPUSYSQWYPP-UHFFFAOYSA-N 443.660 2.496 0 40 IEAB O=C(O)C[C@@H](C(=O)O)c1ccc(OCCOc2ccc([C@@H](CC(=O)O)C(=O)O)cc2)cc1 12285470 HCPDOMFJPYSCGA-QZTJIDSGSA-N 446.408 2.430 0 40 IEAB biogenic CCCCCn1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c2ccccc2c1=O 14246018 PQLOIQBVALVDPX-UHFFFAOYSA-N 425.489 2.486 0 40 IEAB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(N2CCOCC2)cc1 14871157 GGSJUUFAXYMNPL-UHFFFAOYSA-N 445.541 2.105 0 40 IEAB COc1ccc(-n2nnc3c(N4CCN(C(=O)c5cccc(F)c5)CC4)ncnc32)cc1 15884051 FLGWKIFTVCMBGD-UHFFFAOYSA-N 433.447 2.321 0 40 IEAB Cc1cc(Cl)c2c(c1)[C@@]1(N[C@@H]([C@@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 16034022 AGIHIDZNRIRCTO-FSLQZCRMSA-N 445.947 2.472 0 40 IEAB NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)c2ccc(F)cc2)C1 19372507 KNWMWYYZJHXQLG-KSEOMHKRSA-N 437.515 2.481 0 40 IEAB COc1cccc(N2C[C@@H](C(=O)NCCNC(=O)Cc3c[nH]c4ccccc34)CC2=O)c1 20735079 FMNDLARHGHHXHP-KRWDZBQOSA-N 434.496 2.005 0 40 IEAB CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 22190472 TZSLXBKEFVUOMG-UHFFFAOYSA-N 429.542 2.072 0 40 IEAB COc1ccc(OCCN(C)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 24972560 JGDSOGJYINIJIW-FQEVSTJZSA-N 442.512 2.393 0 40 IEAB COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1 32996112 CGHURWOBXKLDTJ-ONNFQVAWSA-N 432.498 2.377 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 36385498 VELMFSOGJNVARG-RTBURBONSA-N 445.585 2.310 0 40 IEAB O=C1CN(Cc2ccc3c(c2)OCO3)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 55408489 QGEANODGZGJMGW-DLBZAZTESA-N 434.901 2.083 0 40 IEAB CCCCCNC(=O)C1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)CC1 58109616 PYKAXZFKPYJOCX-HXUWFJFHSA-N 430.528 2.449 0 40 IEAB C[C@@H]1CCc2c(sc3nc(CCN4CCC([C@@]5(C)NC(=O)NC5=O)CC4)nc(N)c23)C1 72308906 KFDAYEYHOXTIAP-VERVWZFWSA-N 442.589 2.251 0 40 IEAB Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCCc2cc(F)cc3c2OCOC3)CCCC1 72313826 BCIRBGHITQCUSC-UHFFFAOYSA-N 444.507 2.444 0 40 IEAB O=C([C@H]1OCCc2ccccc21)N1CCC([C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 72338900 TXTNUGDJTFMPSC-LEWJYISDSA-N 427.526 2.269 0 40 IEAB COc1cc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccs2)nc(OC)n1 72396894 LULORRLRZCWPHS-UHFFFAOYSA-N 426.502 2.348 0 40 IEAB COc1ccc(C[C@H](CO)CNC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc1O 79076307 MPHYKLXRQBJJSP-WMZHIEFXSA-N 428.529 2.052 0 40 IEAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NCC(=O)NC3CCCC3)CC2)cc1 101463268 PJVACMWNGFOMBM-HDICACEKSA-N 435.590 2.255 0 40 IEAB COC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 220207922 WJZGKDWYAULTIA-CYBMUJFWSA-N 436.486 2.284 0 40 IEAB S=C(NCCN1CCOCC1)Nc1nc(N2CCCCC2)cc(N2CCCCC2)n1 225903362 AFFBVMXQEBWDAJ-UHFFFAOYSA-N 433.626 2.076 0 40 IEAB CC(C)(C)NC(=O)[C@@H]1N(C2CC2)C(=O)[C@@H]2[C@@H](C(=O)NC3CCCCC3)[C@@]3(C)C=C[C@]21O3 245229888 IBMQHRGDYFQPOV-HRWDQCIQSA-N 429.561 2.053 0 40 IEAB CCn1cc(CN2CCC3(CC2)COc2ccccc2S(=O)(=O)N(CCOC)C3)cn1 306127484 FZNSLMXIPRGVOQ-UHFFFAOYSA-N 448.589 2.215 0 40 IEAB Cc1cc(C)cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NC[C@@H](C)O)CC3=O)cc2)c1 408615154 MRROAIJAKZOUPV-QZTJIDSGSA-N 439.512 2.171 0 40 IEAB CCc1ccccc1NC(=O)CN(C)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 3463988 MADDDQQRNCULQR-DEOSSOPVSA-N 434.496 2.039 0 40 IEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2Br)cc1 3486292 CALDCPHDOZQQJR-UHFFFAOYSA-N 441.303 2.495 0 40 IEAB COCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccccc2Cl)c(=O)n1C 8706115 FYOHPTKPCVTTID-CYBMUJFWSA-N 430.896 2.002 0 40 IEAB O=C(O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c1-c1ccccc1C2=O 8790387 PNGVZRNHKAANBJ-FQEVSTJZSA-N 428.444 2.440 0 40 IEAB biogenic CN(C)S(=O)(=O)c1ccc(C(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 9415958 IYGOFUIAOZKYGR-KRWDZBQOSA-N 438.502 2.034 0 40 IEAB CCCCc1ccc(N2C[C@H](C)Cn3c2nc2c3c(=O)n(CC(=O)OC)c(=O)n2C)cc1 9712960 DLSQGLBTRLQGMV-HNNXBMFYSA-N 439.516 2.200 0 40 IEAB Cc1cc(-c2cnc(N3CCCC3)nc2C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)on1 12133144 KSVGZMHRIARNAX-QGZVFWFLSA-N 438.532 2.225 0 40 IEAB COC(=O)C1=C(C)N([C@H]2CCS(=O)(=O)C2)C(=O)N[C@H]1c1ccc(Br)cc1 12900027 LVUYLLXIZHSONM-ZFWWWQNUSA-N 443.319 2.150 0 40 IEAB O=C(C[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2cc(Cl)cnc2C2CCC2)CC1 13265591 LYJARVZXOOHKDZ-INIZCTEOSA-N 427.954 2.405 0 40 IEAB Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc6c(c5)OCO6)CC4)ncnc32)cc1 15883981 LORZEEHWLDGGKF-UHFFFAOYSA-N 443.467 2.210 0 40 IEAB O=C(OCc1nc2ccccc2c(=O)[nH]1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 18406841 VANCWFPZQXEMLS-UHFFFAOYSA-N 440.415 2.273 0 40 IEAB Cc1ccccc1CC(=O)N1CCC(c2cc(C(=O)N3CCC[C@H](C(N)=O)C3)on2)CC1 19237036 AQZUBSRPAUQWBU-IBGZPJMESA-N 438.528 2.269 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc(-c3cccnc3)n[nH]2)CC1 19340814 WPCTYHUFUIDFKW-UHFFFAOYSA-N 427.486 2.206 0 40 IEAB O=C(COc1ccc2c(c1)OCCO2)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 19344933 XPEZAJIVVQLNBX-AWEZNQCLSA-N 427.486 2.243 0 40 IEAB CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)CCn3ccc(C)n3)[nH]c2=O)C1 19501648 RKPQALYEAIGJKG-IBGZPJMESA-N 440.548 2.104 0 40 IEAB COc1ccc(CCn2nnnc2[C@@H](c2ccc(F)cc2)N2CCN(C)CC2)cc1OC 22929995 RFGDYTPRADEFBE-JOCHJYFZSA-N 440.523 2.409 0 40 IEAB CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CN2CCN(C(=O)OC(C)(C)C)CC2)C1=O 28754992 VZNRQPPTKGODOX-JOCHJYFZSA-N 432.521 2.363 0 40 IEAB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)c1 36360569 JCHFTVUNSBZWAN-INIZCTEOSA-N 429.498 2.131 0 40 IEAB COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 40040843 ZIXFQFAPYHPUTI-HOTGVXAUSA-N 449.529 2.084 0 40 IEAB Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)NC[C@H](C3CC3)N(C)C)cc2)cc1 40156803 SMANJNOQYBLSMM-HXUWFJFHSA-N 438.571 2.381 0 40 IEAB CCc1ccccc1NC(=O)Cn1nc(S(=O)(=O)c2ccc(OC)cc2)ccc1=O 49421682 SPBSFOKRWTUTEW-UHFFFAOYSA-N 427.482 2.286 0 40 IEAB Cn1cnc(S(=O)(=O)N2CCC3(CC2)C[C@H]3c2nc(-c3cccnc3)no2)c1Cl 71890441 PSYSLLWQQHNMAZ-ZDUSSCGKSA-N 434.909 2.477 0 40 IEAB CC(=O)N1CC2(CCN(C(=O)Cc3n[nH]c(=O)c4ccccc34)CC2)Nc2ccccc21 72327188 OYSBOOWASDTMFZ-UHFFFAOYSA-N 431.496 2.305 0 40 IEAB Cc1cc(C(=O)Nc2nc3c(s2)CN(C(=O)[C@@H]2COc4ccccc4O2)CC3)no1 77196458 ZZCOWMCPWMBKSW-INIZCTEOSA-N 426.454 2.417 0 40 IEAB CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C 96305233 CYKISVYTUCOJRU-UHFFFAOYSA-N 444.967 2.209 0 40 IEAB COC(=O)CNC(=O)c1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)cc1 103995286 FSAZLEKRHKUAHD-SNTCSEMISA-N 427.501 2.003 0 40 IEAB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O 223517124 OZYBKGZLVVXWNE-SFHVURJKSA-N 431.558 2.314 0 40 IEAB CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(N3CCCC3=O)c2)cc1 224143460 TYICDFKZRLGGCI-UHFFFAOYSA-N 447.582 2.472 0 40 IEAB CC[C@H](C)C(=O)N1CCC[C@H]1c1cc2nc(C)c(CCC(=O)N3CCOCC3)c(O)n2n1 257304384 SLJFAQUBWIOJHZ-KXBFYZLASA-N 443.548 2.244 0 40 IEAB COc1ccc(CC(=O)NCc2nnc(SCC(=O)NCc3ccccc3)n2C)cc1 409152678 BOOSQMBXYGQOBZ-UHFFFAOYSA-N 439.541 2.091 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 409390095 JHZFBQIPEAQTNV-NSHDSACASA-N 437.345 2.462 0 40 IEAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)nc1 1889238092 YYCVEPYKFQEWFJ-IBGZPJMESA-N 443.573 2.311 0 40 IEAB COc1ccc(OC)c(S(=O)(=O)N2CC3(C[C@H](NCc4cccnc4)CS3)C2)c1 2056224840 YPRGWGPZCZVXOQ-INIZCTEOSA-N 435.571 2.137 0 40 IEAB CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCn2c1nc1ccccc12)C(=O)O 8792094 NWUYEHNODHAUEA-CVEARBPZSA-N 447.561 2.303 0 40 IEAB biogenic CCN(C(=O)CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 9253165 ZBBCRJJGAYEJKA-DFSFMLJYSA-N 440.518 2.288 0 40 IEAB CN1C(=O)C(=C(Nc2ccc(F)cc2)SCC(=O)N2CCCCC2)C(=O)N(C)C1=O 9974042 GWGRTABBBHESQR-UHFFFAOYSA-N 434.493 2.245 0 40 IEAB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1ccc2c(c1)OCO2 10255264 DOGPVPHMVXIHGD-AWEZNQCLSA-N 429.498 2.371 0 40 IEAB Cc1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F 11367243 BXJGLYPSPTYXAF-SFHVURJKSA-N 434.489 2.375 0 40 IEAB CN(C)CCCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)n21 11613403 NQKRSIGPXZYEMH-HNNXBMFYSA-N 446.964 2.340 0 40 IEAB Cc1ccccc1OCC(=O)NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21 12071596 YFUJYIDZKYELSZ-UHFFFAOYSA-N 435.459 2.284 0 40 IEAB CC(C)c1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 12875138 QKDWPQGLHGLVRQ-MRXNPFEDSA-N 429.542 2.422 0 40 IEAB NC(=O)C1CCN(C(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)CC1 13583359 WXERAXCKZGHCFI-UHFFFAOYSA-N 447.944 2.429 0 40 IEAB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1ccco1 17097229 YPKIXYMFDOHMKM-QZTJIDSGSA-N 430.892 2.461 0 40 IEAB CC[C@H](C)N(C(=O)COc1ccc(Br)cc1C=O)[C@@H]1CCS(=O)(=O)C1 18186656 IQMNHOPLSIPFMC-SWLSCSKDSA-N 432.336 2.455 0 40 IEAB CCS(=O)(=O)N1CCC[C@H](c2nc(C)c3c(n2)N(Cc2ccc(OC)cc2)C(=O)C3)C1 19744385 XPFJMCPXZYVLFH-KRWDZBQOSA-N 444.557 2.412 0 40 IEAB COc1cccc(C(=O)NCCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1 26376207 ZCIMOPAQKHVUBA-UHFFFAOYSA-N 431.798 2.075 0 40 IEAB COc1ccccc1CN(C)C(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 30870392 UTBJIIIVVSBZFF-HNNXBMFYSA-N 434.514 2.280 0 40 IEAB CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(-c4ccccc4OC)cnc3c2)CC1 32074628 GBXJPRALOZAHCK-UHFFFAOYSA-N 436.468 2.309 0 40 IEAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccc2ccccc12 32755011 DSXBXNQKMQOHGT-MRXNPFEDSA-N 437.521 2.451 0 40 IEAB O=C(c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)N1CCN(c2ncccn2)CC1 32958702 NRXGMNKRAVHIBB-UHFFFAOYSA-N 427.464 2.235 0 40 IEAB NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c2ccccc2O1 32986155 DHTCMUUSOJHHGI-BEFAXECRSA-N 427.888 2.472 0 40 IEAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCC(NS(=O)(=O)c2cccs2)CC1 40107349 GUBPKFFAZLFECE-UHFFFAOYSA-N 430.555 2.446 0 40 IEAB NS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 57945539 IYOLGCILZZVVLP-UHFFFAOYSA-N 435.811 2.261 0 40 IEAB COc1ccc2c(C)c(CCC(=O)NCc3cccc(CS(N)(=O)=O)c3)c(=O)oc2c1 58306672 AWWPFHHPGAVYCT-UHFFFAOYSA-N 444.509 2.148 0 40 IEAB COc1ccc(S(=O)(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 72321859 QHTMMJHSAKIGIG-BRSBDYLESA-N 431.432 2.270 0 40 IEAB biogenic,in-vitro Cc1cccc(CCNC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC(=O)c2cccnc2N3)c1 72326348 NWJIONPXOCTSLV-OSPHWJPCSA-N 435.528 2.002 0 40 IEAB CN(C)C(=O)[C@]12CCCN(C(=O)c3ccccc3F)C[C@H]1CN(Cc1cnn(C)c1)C2 96083066 TYVLEAWEROVGPB-JPYJTQIMSA-N 427.524 2.002 0 40 IEAB CC(C)CN1CC2(CCN(C(=O)c3cc[nH]n3)CC2)COc2ccccc2S1(=O)=O 96145163 WHXKYMZHDUMTCE-UHFFFAOYSA-N 432.546 2.371 0 40 IEAB COc1ccc2s/c(=N\C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)n(CCSC)c2c1 101345291 SWVRHTZELHVAEU-UNQMGURYSA-N 443.616 2.173 0 40 IEAB O=C1Nc2cc(Br)ccc2[C@@H]1CNc1cnn(C[C@H](O)CN2CCCC2)c1 102217018 LIJDGOMOXLLJJO-WBVHZDCISA-N 434.338 2.250 0 40 IEAB COC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)CC1 216347098 OYDIYFNDVGREOW-FQEVSTJZSA-N 436.574 2.073 0 40 IEAB COc1ccc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)cc1N1CCCC1=O 223853508 HYLGWQYGSYPQEH-UHFFFAOYSA-N 443.525 2.427 0 40 IEAB CNC(=O)c1cc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C)cc3)no2)ccc1OC 223904834 GCYDLDWEKVWEAQ-UHFFFAOYSA-N 430.486 2.234 0 40 IEAB CS(=O)(=O)Nc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2cc(Br)ccc21 226785524 WLNOZYMZKXFXEW-QGZVFWFLSA-N 439.287 2.233 0 40 IEAB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCCCN1CCC[C@H](C)C1 260813004 ODUZNMJLTDCFIH-KRWDZBQOSA-N 425.595 2.116 0 40 IEAB O=C1NCCN(C(=O)Cn2ccc(C(F)(F)F)n2)[C@H]1c1ccccc1Br 503900423 IILVSLNEKGPPRN-AWEZNQCLSA-N 431.212 2.364 0 40 IEAB CNC(=O)[C@@H](C)NC(=O)C[C@@H](c1cc2c(cc1O)OCO2)c1coc2ccccc2c1=O 524730918 CIFTXWNPGSJJRK-OCCSQVGLSA-N 438.436 2.000 0 40 IEAB biogenic CCn1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)nc2cc(Cl)ccc21 536587344 XZMWTIVNJHWYHU-LLVKDONJSA-N 449.920 2.114 0 40 IEAB CC(C)NC(=O)N1CCC2(CC1)[C@@H](C(=O)NC1COC1)c1ccccc1C(=O)N2C(C)C 1549174860 SNZVUAGGUQBBSM-HXUWFJFHSA-N 442.560 2.102 0 40 IEAB Cn1cccc(C(=O)N2CC[C@@]3(CCc4nc(-c5ccccc5)cc(=O)n4CC3)C2)c1=O 1565556052 LMUNCVMCZYWVHF-RUZDIDTESA-N 430.508 2.478 0 40 IEAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Nc1ccc2c(c1)CCC2 2649781 DBPATLLRJVCZBL-QGZVFWFLSA-N 436.464 2.481 0 40 IEAB CCCCc1cn(C[C@H]2C[C@H]3CCN2C[C@@H]3C(=O)NCc2ccc3c(c2)OCO3)nn1 8298842 IFDFIYVSBJLCCK-RLLQIKCJSA-N 425.533 2.376 0 40 IEAB biogenic,in-vitro Cc1cc(NC(=O)COC(=O)c2cccnc2SCC(=O)Nc2cc(C)on2)no1 9129518 FDUHHRURRADHKU-UHFFFAOYSA-N 431.430 2.201 0 40 IEAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)cc2)CC1 9445438 WKYOKZNBEFOKBY-UHFFFAOYSA-N 427.482 2.243 0 40 IEAB O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCC[C@@H]1c1nc2ccccc2s1 9491041 NAAFSLLGYOOURZ-CZUORRHYSA-N 446.554 2.125 0 40 IEAB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)COc3ccc(Cl)cc3)cc21 9561484 RUTDMOLHMUWMCH-UHFFFAOYSA-N 430.892 2.385 0 40 IEAB CCOC(=O)N1CCN(C(=S)Nc2cc(S(=O)(=O)N(CC)CC)ccc2C)CC1 9612839 RYTHYWBXZZHPSJ-UHFFFAOYSA-N 442.607 2.496 0 40 IEAB Cc1c([C@@H]2C[C@@H](C(=O)Nc3cc(Cl)ccc3Cl)N(C)S(=O)(=O)N2)cnn1C 12130852 XFCVRXLXCNAGPB-ZFWWWQNUSA-N 432.333 2.254 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 12697124 VELMFSOGJNVARG-RBUKOAKNSA-N 445.585 2.310 0 40 IEAB CNC(=O)[C@H]1CN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)c2ccccc2O1 12753003 ARMVKQWNOKPMKX-HXUWFJFHSA-N 432.480 2.277 0 40 IEAB COc1ccc(OC)c(NC(=O)c2ccc(OCC(=O)N3CCOCC3)c(OC)c2)c1 12900122 MSDSGYIANJTWEF-UHFFFAOYSA-N 430.457 2.202 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OC 12902343 MBXPGMWTDRATGM-INIZCTEOSA-N 432.498 2.352 0 40 IEAB CCc1c2c(=O)n(-c3nc4ccccc4s3)[nH]c2cc(=O)n1CCCN1CCOCC1 13957589 WVGSMJYPLAOVRV-UHFFFAOYSA-N 439.541 2.375 0 40 IEAB CCN(C(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 14240871 JRZBBVKAURTIDX-GDBMZVCRSA-N 445.570 2.332 0 40 IEAB COCCN/C(Nc1ccccc1Cl)=C1\C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O 16957651 JCQAANPUGWMDMN-ZCXUNETKSA-N 444.875 2.491 0 40 IEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCO[C@H](c2nc(-c3ccccc3)no2)C1 19374383 NXOUMXRSCYMILO-SFHVURJKSA-N 429.454 2.270 0 40 IEAB COCCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3nc4ccc(F)cc4[nH]3)nc21 19698090 UQSABLKNXPHQAT-UHFFFAOYSA-N 440.479 2.388 0 40 IEAB COc1cccc(C(=O)N2CCC(N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)CC2)c1 19701355 PKPNUFWGGVOFJB-UHFFFAOYSA-N 442.560 2.342 0 40 IEAB C[C@H](C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)c(N)n2)CC1)N1CCCC1=O 19765907 WATCMIGOQPDCNG-OAHLLOKOSA-N 427.549 2.053 0 40 IEAB CN(Cc1cnn(C)c1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCC1 24476325 JENKEVLPKKSODH-UHFFFAOYSA-N 445.589 2.467 0 40 IEAB CC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NCc3ccc(F)cc3)CC2)cc1 31416770 WSMKWJLTWWIZSZ-INIZCTEOSA-N 447.532 2.040 0 40 IEAB CC(=O)Nc1cc(C)nn1-c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 32833623 NJWZHKCDKKHNOI-UHFFFAOYSA-N 425.470 2.435 0 40 IEAB CCOC(=O)N1CCC(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 33028321 QVYFCONRUGVFFB-QGZVFWFLSA-N 433.530 2.141 0 40 IEAB CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)o1 40094609 LZAXCMFBVGUMGN-UHFFFAOYSA-N 432.498 2.092 0 40 IEAB CCCCn1c(N)c(N(C)Cc2cc(Br)c3c(c2)OCO3)c(=O)[nH]c1=O 48325492 OYFGUGRMWTXVOJ-UHFFFAOYSA-N 425.283 2.047 0 40 IEAB O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)NCCc1ccc(-n2cccn2)cc1 72310050 MEFRHOQYNBFSNF-UHFFFAOYSA-N 447.539 2.485 0 40 IEAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)NCCCCCc1nnc2ccccn12 72325599 ORYIXRLEAQRVMB-GOSISDBHSA-N 434.500 2.089 0 40 IEAB biogenic Cc1cc(-c2cc(=O)n(CC(=O)N3CCN4CCC[C@@H]4C3)nc2-c2cccs2)on1 72337278 XNWDAPCBPOHOFP-OAHLLOKOSA-N 425.514 2.242 0 40 IEAB COc1ccccc1O[C@@H](C)C(=O)N1CCC(c2nnsc2S(C)(=O)=O)CC1 72392515 DPAIEFHWHFHEKK-LBPRGKRZSA-N 425.532 2.124 0 40 IEAB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CS(=O)(=O)C1CCCC1 78517692 CADZZKSWCHREHR-UHFFFAOYSA-N 445.607 2.445 0 40 IEAB COc1ccc2c(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc(=O)oc2c1 89467118 KNQIRRJTNPDNIE-UHFFFAOYSA-N 432.473 2.447 0 40 IEAB CCOC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)c(OC)cc2OC)C1)C(C)C 89978061 ICOIQTMAKFLTGT-XIKOKIGWSA-N 426.897 2.414 0 40 IEAB O=S(=O)(c1ccc(Br)cc1)N1CCCSC[C@@H]1CN1CCOCC1 90609228 JOGKWHMLKXIWAD-HNNXBMFYSA-N 435.409 2.278 0 40 IEAB CC[C@@H](C)C(=O)N1CCC[C@H](c2cc3nc4c(c(O)n3n2)CN(C(=O)C2CC2)CC4)C1 100234545 YZOGPDJYYXDKDB-ZBFHGGJFSA-N 425.533 2.482 0 40 IEAB COc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)NCCCN2CCOCC2)ccc1O 199407307 SICYIPIQVSIUIW-JOCHJYFZSA-N 439.556 2.166 0 40 IEAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 223037780 ZXAVVRFLSFKWKU-HXUWFJFHSA-N 449.548 2.454 0 40 IEAB Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc21 225679326 KGHUXOGXKVQEMM-ZDUSSCGKSA-N 447.538 2.310 0 40 IEAB CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc3c(c2)sc(=O)n3C)Oc2ccccc21 260902620 UHXGAYZNQNRATR-MRXNPFEDSA-N 433.511 2.156 0 40 IEAB CCn1cc(CN2C[C@@H]3Oc4ncccc4S(=O)(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 306141975 WLSPFYIXCVGNEJ-UXHICEINSA-N 439.541 2.134 0 40 IEAB CCOc1cc(/C=C2/C(=O)N(CC(=O)OC)C(=S)N2C)c(Br)cc1OC 409209236 IBDDZJMIJJGWJW-SDQBBNPISA-N 443.319 2.429 0 40 IEAB CCOc1cc2c(cc1/C=C1/NC(=O)N(CC(=O)Nc3ccccc3OC)C1=O)OCO2 409224627 ILIBXVGKDPTTPG-OVCLIPMQSA-N 439.424 2.354 0 40 IEAB CCOC(=O)C1CCN(C(=O)[C@H](CCSC)n2c(O)nc3ccccc3c2=O)CC1 524734112 XQWCFJQPEPMMKJ-KRWDZBQOSA-N 433.530 2.198 0 40 IEAB O=C(NCCc1ccccc1)[C@H]1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1 802428 USRADKJFQBKXNB-FQEVSTJZSA-N 435.524 2.400 0 40 IEAB O=S(=O)(NCCNS(=O)(=O)c1cccc2cccnc12)c1cccc2cccnc12 2062019 OVSOVUWQONPSRI-UHFFFAOYSA-N 442.522 2.040 0 40 IEAB CCOc1ccc(C(c2c(O)nc(SC)[nH]c2=O)c2c(O)nc(SC)[nH]c2=O)cc1 8716670 OVZPTLMOADEJCN-UHFFFAOYSA-N 448.526 2.287 0 40 IEAB C[C@H](OC(=O)[C@@H](C)NC(=O)c1ccccc1Cl)C(=O)NCc1ccc2c(c1)OCO2 8945456 PGCXXYSHDWDDJH-OLZOCXBDSA-N 432.860 2.435 0 40 IEAB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC(C)(C)OC4)c(OC)c1 9292047 OCPPNKUYBOMJDM-UHFFFAOYSA-N 430.486 2.360 0 40 IEAB COc1ccccc1NC(=O)C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1ccccc1 9743533 MRCWGBGHBYRNSB-QGZVFWFLSA-N 445.541 2.383 0 40 IEAB CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OS(=O)(=O)c1ccc(OC)c(C)c1 9761611 NXNAUJCOJVGUEJ-UHFFFAOYSA-N 444.465 2.494 0 40 IEAB COc1cc(CC(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OC 10719118 SERFFWDCQXKRFV-UHFFFAOYSA-N 428.485 2.147 0 40 IEAB CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccc(Nc3cccc(C)n3)nn2)cc1 11697128 XILQMYFYIATFDS-UHFFFAOYSA-N 441.517 2.272 0 40 IEAB Cc1nc2cc(-c3nccn3C)nn2c(N2CCC(C(N)=O)(N3CCCCC3)CC2)c1C 12087637 WFGXRENLENWDCU-UHFFFAOYSA-N 436.564 2.057 0 40 IEAB Cc1nc2cc(C3CCN(C(=O)Cn4ncc5ccccc5c4=O)CC3)nn2c(O)c1C 12134060 OBOPQFDFZLPNNC-UHFFFAOYSA-N 432.484 2.168 0 40 IEAB CNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2nc3ccccc3n2C(F)F)n(C)c1 12551325 WTXCNYWSIMEWRK-LLVKDONJSA-N 425.461 2.212 0 40 IEAB COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc3c(c2)OCO3)cc1Cl 12650515 CIWHRIUKPJDOCG-UHFFFAOYSA-N 426.878 2.014 0 40 IEAB CC[C@]1(C)NC(=O)N(NC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)C1=O 13116974 AVEJKEFDULWWFP-NRFANRHFSA-N 439.497 2.185 0 40 IEAB CCOC(=O)C1CCN(CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 16476200 JTJXWWHKDGLXMZ-UHFFFAOYSA-N 445.969 2.194 0 40 IEAB COc1ccccc1[C@H](C)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 17970713 HDISVSYTVQNHJS-HNNXBMFYSA-N 434.514 2.216 0 40 IEAB O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(I)c1 18116413 NPNCZRDJXVVSMJ-UHFFFAOYSA-N 442.234 2.074 0 40 IEAB CC[C@@H](C)N1CCN(CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)CC1 19499916 PUJXXFUBRSZFKN-VGSWGCGISA-N 436.560 2.315 0 40 IEAB CCOC(=O)C1=C(CN2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1c1cccs1 20559105 FTNMYXKAHCQETO-IBGZPJMESA-N 427.530 2.136 0 40 IEAB Cc1ccc(N(CC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c(C)c1 22328604 WSBMCZTUGLCLMB-INIZCTEOSA-N 438.571 2.350 0 40 IEAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 22805344 KYPJLQSPIXVHHW-LEWJYISDSA-N 431.533 2.310 0 40 IEAB COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C(=O)NC(C)C 26112264 LYPYVRZBOGJEPM-UHFFFAOYSA-N 435.521 2.483 0 40 IEAB Cn1cnnc1-c1cccc(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c1 31808350 ZJRQYEIDIPKHDO-GOSISDBHSA-N 441.513 2.192 0 40 IEAB COC(=O)c1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc23)cc1 31808410 FMZQZRWHAJZJIN-INIZCTEOSA-N 435.469 2.408 0 40 IEAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCCCN1CCCC1=O 32670094 OVZHJXOZHWJKSX-UHFFFAOYSA-N 440.525 2.259 0 40 IEAB COc1ccccc1N(CCC(N)=O)C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1 32854601 HUKPXAAEBHEJBZ-UHFFFAOYSA-N 433.530 2.246 0 40 IEAB O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCC1(N2CCOCC2)CCCCC1 33025958 SIFDDLYQPFMJDP-VCHYOVAHSA-N 435.590 2.118 0 40 IEAB CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)C1 40120209 IEBFOKDJSYXAKG-ZDUSSCGKSA-N 431.440 2.437 0 40 IEAB O=C(Cn1cnc2nc(N3CCOCC3)sc2c1=O)Nc1ccccc1C(F)(F)F 45970434 JRFQFEKUFPRALI-UHFFFAOYSA-N 439.419 2.347 0 40 IEAB COc1ccc(CCNC(=O)CSc2cc(N3CCSCC3)ncn2)cc1OC 90610127 HMABFJPQEILIKP-UHFFFAOYSA-N 434.587 2.498 0 40 IEAB O=C(Nc1ccccc1Cl)N1C[C@H]2C[C@H]3[C@](C1)(CN(Cc1ccncc1)S3(=O)=O)O2 96145992 VJTGRIZLJGJDGT-BPAFIMBUSA-N 448.932 2.324 0 40 IEAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1 138648647 MSXVZQJOYBPVEG-IBGZPJMESA-N 437.496 2.487 0 40 IEAB O=C(NC1CCCC1)[C@H]1[C@@H]2C(=O)N(C3CCCC3)[C@@H](C(=O)NC3CCCC3)[C@@]23C=C[C@H]1O3 245229527 AJUGEODEELKVEN-JWEZWNSLSA-N 441.572 2.197 0 40 IEAB COc1cccc(CNC(=O)Cc2c(C)nc([C@H]3CCN(C(=O)c4cc[nH]n4)C3)nc2C)c1 257205532 AZMRVTCXZOUYRL-SFHVURJKSA-N 448.527 2.314 0 40 IEAB CN(C[C@@]1(O)CCCN(c2ccnc3ccncc23)C1)C(=O)c1cccc(OCCN)c1 257243484 IHFCGQDHGZBWNC-DEOSSOPVSA-N 435.528 2.071 0 40 IEAB COc1ncccc1CN1C[C@H](c2cccnc2)[C@@]2(C1)OCCN(Cc1ccncc1)C2=O 306139314 SUKKVFXLXVYMIQ-RCZVLFRGSA-N 445.523 2.277 0 40 IEAB CCCOC(=O)CNC1([C@@H](CCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)COC1 306145768 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IEAB O=C1CSc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=NCCC4)c3)cc2N1 32971066 VVGFTKPIBUSBJM-UHFFFAOYSA-N 430.511 2.454 0 40 IEAB CSCC(=O)Nc1ccc(OCc2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 36359818 AGEPIYANLYZYDY-UHFFFAOYSA-N 426.516 2.181 0 40 IEAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)N[C@@H]1CCCCNC1=O 40122877 XHAOOYJGIZIKNP-GFCCVEGCSA-N 425.308 2.376 0 40 IEAB Cc1ccc2c(=O)c(C(=O)N3CCSCC3)cn(CC(=O)NCc3ccccc3)c2n1 49002296 TWSOBCNIZYNTAW-UHFFFAOYSA-N 436.537 2.210 0 40 IEAB COc1cc(NC(=O)Cn2ccn(-c3cc(F)ccc3C)c(=O)c2=O)cc(OC)c1OC 67320407 QDNJBVZYUWHUIL-UHFFFAOYSA-N 443.431 2.111 0 40 IEAB C[C@H](CONC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)NC(=O)OC(C)(C)C 95453147 LTPJCXYQGAHNES-LLVKDONJSA-N 435.930 2.165 0 40 IEAB O=C1NC(=S)N/C1=C/c1cc(Br)c(O)c(I)c1 100454648 BSPHXAUMDMRPET-XVNBXDOJSA-N 425.045 2.105 0 40 IEAB CCCCN1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O 103087967 BXVDQRDBKKLZOL-KSVNGYGVSA-N 432.318 2.476 0 40 IEAB O=S(=O)(Cc1ccco1)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)s2)C1 206695618 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431.558 2.020 0 40 IEAB Cc1ccc2c(c1)O[C@@H](C(=O)N[C@H](C)c1ccc3c(c1)OCCO3)CN2S(C)(=O)=O 260828869 DNSQAXHIQPFOAY-JLTOFOAXSA-N 432.498 2.171 0 40 IEAB COc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408664666 QUYIRWNQVXPWBT-UVPINQTDSA-N 426.469 2.009 0 40 IEAB COc1ccc(CNC(=O)c2ccccc2NC(=O)C(=O)NCCCOC(C)C)cc1 408710133 PUOJMQUCHHXBOL-UHFFFAOYSA-N 427.501 2.495 0 40 IEAB O=C(NS(=O)(=O)c1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1 770089729 TUSVMMHJIVWVCH-UHFFFAOYSA-N 425.304 2.404 0 40 IEAB COc1ccccc1S(=O)(=O)N1CCN(c2cc(O)nnc2-c2ccccc2)CC1 1888975888 GIODDSKKDRTQEP-UHFFFAOYSA-N 426.498 2.369 0 40 IEAB O=C(CN1N=N[C@@H]2C(=O)N(c3c(F)c(F)cc(F)c3F)C(=O)[C@H]21)Nc1cccc(F)c1 2786925 BODXOKUFFXGOPP-HOCLYGCPSA-N 439.300 2.314 0 40 IEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)COc2ccc(Cl)cc2)c1 3219323 NNPGURUBVCROPN-UHFFFAOYSA-N 435.816 2.474 0 40 IEAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 9508839 VEAAQXJNVGNIRM-KRWDZBQOSA-N 439.534 2.046 0 40 IEAB 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